Entering Gaussian System, Link 0=/share/apps/Gaussian/g09/g09 Initial command: /share/apps/Gaussian/g09/l1.exe "/state/partition1/Gau-212569.inp" -scrdir="/state/partition1/" Entering Link 1 = /share/apps/Gaussian/g09/l1.exe PID= 212570. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: ES64L-G09RevD.01 24-Apr-2013 11-Mar-2017 ****************************************** %nprocshared=8 Will use up to 8 processors via shared memory. %mem=16GB %oldchk=dipp2as2ge.chk %chk=dipp2as2genbodel2.chk Copying data from "dipp2as2ge.chk" to current chk file "dipp2as2genbodel2.chk". --------------------------------------------------------------- #p pop=nbodel b97d/6-311g(2d,p)/auto geom=checkpoint guess=read --------------------------------------------------------------- 1/29=2,38=1/1; 2/12=2,40=1/2; 3/5=4,6=6,7=102,11=2,14=-4,16=1,25=1,30=1,74=-42,82=28,116=-2/1,2,3; 4/5=1/1; 5/5=2,38=6/2; 6/7=2,8=2,9=2,10=2,28=1,40=12/1,7(2); 5/5=2,7=1,13=1,38=1,48=100000/2; 6/7=2,8=2,9=2,10=2,28=1,40=4/7; 6/7=2,8=2,9=2,10=2,28=1,40=3/7(-2); 99/5=1,9=1/99; Leave Link 1 at Sat Mar 11 14:08:41 2017, MaxMem= 2147483648 cpu: 10.9 (Enter /share/apps/Gaussian/g09/l101.exe) ----------------- dipp2as2genbodel2 ----------------- Structure from the checkpoint file: "dipp2as2genbodel2.chk" Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. As,0,13.9198238275,8.8088627275,11.1853251781 As,0,16.7771487812,10.9121262307,10.621849589 Ge,0,15.2164752085,10.4825268761,12.5589413477 C,0,12.964225731,7.5314048105,12.4062279681 C,0,13.6377299125,6.8734200456,13.4667498046 C,0,12.9366273199,5.9271827632,14.2321351326 H,0,13.4419020475,5.4425211684,15.0652762144 C,0,11.6167764535,5.5976935222,13.945672903 H,0,11.0896085126,4.8625071266,14.5521104706 C,0,10.9775202354,6.2037974974,12.8655771084 H,0,9.9526727669,5.9252341416,12.6331188921 C,0,11.6267039221,7.1662358738,12.0809314455 C,0,15.0874297633,7.1515050212,13.863143075 H,0,15.5699683387,7.7242811811,13.0652765764 C,0,15.9194266046,5.8638018404,14.0286613308 H,0,15.5857341039,5.2772088136,14.8948520213 H,0,16.9718459501,6.1322291645,14.182116154 H,0,15.8471227282,5.2295264773,13.136849467 C,0,15.1526473136,7.9936187202,15.1534420356 H,0,14.6090395176,8.9389934477,15.0394763229 H,0,16.1966520605,8.222742577,15.4047456378 H,0,14.7044793788,7.4383440224,15.9894000433 C,0,10.8973911251,7.7359273198,10.8604184275 H,0,11.2254185712,8.7711515955,10.7163623004 C,0,9.3628128226,7.7791433128,10.981625429 H,0,8.9265964854,6.7712112147,10.9610155667 H,0,8.9495594681,8.333651235,10.1290536917 H,0,9.0388460203,8.2746751891,11.9050765654 C,0,11.2912997693,6.9317129108,9.6007827345 H,0,12.3763428952,6.945224422,9.4441609317 H,0,10.8058520561,7.3539660946,8.7095097716 H,0,10.9683258698,5.8870934196,9.7099732171 C,0,12.8674152453,10.5598409285,11.3470858517 C,0,12.1589869879,11.001005879,12.5107113188 C,0,11.4180188093,12.1932572674,12.4422711774 H,0,10.8650079941,12.5144450505,13.322714607 C,0,11.3855733507,12.9668299882,11.2902238153 H,0,10.8031188551,13.8866527058,11.2619814895 C,0,12.1188752704,12.5665580528,10.172938857 H,0,12.1040013015,13.1819794944,9.2767795374 C,0,12.8673877298,11.3861358432,10.178298393 C,0,12.1416177301,10.2693392492,13.8504725791 H,0,12.826514454,9.4224170144,13.7948909542 C,0,10.7395832675,9.7109316869,14.1625297917 H,0,10.0140309615,10.5297505451,14.2660185087 H,0,10.7623391939,9.1458056271,15.1035323183 H,0,10.3988109953,9.0397455655,13.3702836713 C,0,12.6196550968,11.1706426882,15.0087373256 H,0,13.6157707034,11.5812431036,14.801732593 H,0,12.6685119827,10.5819762808,15.9348737195 H,0,11.9282533962,12.0069300924,15.1776943104 C,0,13.5872616873,10.990971969,8.8915456876 H,0,14.3634292116,10.2619245828,9.1417879515 C,0,14.3017153487,12.1634259691,8.1963147585 H,0,13.5906945059,12.8894177358,7.7798160918 H,0,14.9093030083,11.77766459,7.367650764 H,0,14.9649085734,12.6918632417,8.8910686118 C,0,12.5961430548,10.2931624268,7.9381868554 H,0,12.1565696373,9.4102974748,8.4178386109 H,0,13.1097234405,9.971907889,7.0213012298 H,0,11.7846662801,10.9802035736,7.6602130189 C,0,17.7034147501,12.6716682474,10.8564600767 C,0,17.0188961626,13.8557174448,11.2308562587 C,0,17.7468514075,15.0494541948,11.3480405597 H,0,17.2302680554,15.9548600961,11.6615990075 C,0,19.1098521385,15.1002130673,11.0642877406 H,0,19.6574599035,16.0360045997,11.1666812207 C,0,19.7586700944,13.9499464324,10.623664789 H,0,20.8157505624,13.990711597,10.3646930532 C,0,19.0771980508,12.7302490781,10.5036896694 C,0,15.5204981319,13.9099055716,11.5257564389 H,0,15.0658892546,12.9641786694,11.2142681293 C,0,14.8082833701,15.0155540843,10.7207241097 H,0,15.1400619717,16.0146344505,11.0328934773 H,0,13.7255623706,14.947566969,10.8847178117 H,0,15.0057926664,14.9096534295,9.6466622057 C,0,15.2447512917,14.0862191426,13.0324592491 H,0,15.7016511289,13.2807870888,13.6194297706 H,0,14.1627252418,14.0766951728,13.2212491292 H,0,15.6546915568,15.0431912943,13.3848904549 C,0,19.8616614922,11.5407162524,9.9448359888 H,0,19.1977093558,10.6721216109,9.9037535364 C,0,17.792302504,9.7209138622,11.9377016397 C,0,18.3539048423,10.1517335805,13.1798199019 C,0,19.1365556196,9.245832855,13.9162822081 H,0,19.5791573731,9.5813381417,14.852419442 C,0,19.3469814857,7.9420743202,13.4859044281 H,0,19.9625442825,7.2618926357,14.0728630457 C,0,18.7445037839,7.5045314175,12.3067841407 H,0,18.89040194,6.4774929277,11.979282516 C,0,17.9575091346,8.3620238221,11.5317328256 C,0,18.1463441831,11.5290007383,13.8112661616 H,0,17.474970353,12.1055190134,13.1747475326 C,0,19.4589547148,12.3278701983,13.9316051051 H,0,20.1860153191,11.7859506419,14.5522855689 H,0,19.2571443136,13.296783015,14.4072930198 H,0,19.9035014881,12.5163898428,12.9523506515 C,0,17.4862053658,11.4181906625,15.2031150054 H,0,16.5416132303,10.8644438368,15.1529976846 H,0,17.2808632804,12.4247969748,15.5922716999 H,0,18.14816256,10.9089437638,15.9163925675 C,0,17.368368525,7.8069492597,10.2362519155 H,0,16.5971402586,8.4994736526,9.8849725543 C,0,16.6795162079,6.4414041513,10.4133771125 H,0,17.3972129685,5.6510789104,10.6705242053 H,0,16.1893069863,6.1568061345,9.4732141493 H,0,15.9169742314,6.4805291029,11.1992180059 C,0,18.4565741537,7.7413445853,9.1458558389 H,0,18.8808251163,8.7357668376,8.9593936802 H,0,18.0331000468,7.3622163065,8.2054501227 H,0,19.270338533,7.0712177142,9.4559708819 C,0,21.0581795077,11.1392299634,10.8268086274 H,0,21.6039200468,10.3089538183,10.3578681456 H,0,20.7220898324,10.8140072512,11.816988259 H,0,21.7570082486,11.9777919549,10.9527278892 C,0,20.3115429543,11.8271171089,8.4974725645 H,0,19.4495040264,12.0681094202,7.8619664209 H,0,20.8223514625,10.9484322848,8.079322146 H,0,21.0077785273,12.6758535212,8.4642379064 Recover connectivity data from disk. NAtoms= 119 NQM= 119 NQMF= 0 NMMI= 0 NMMIF= 0 NMic= 0 NMicF= 0. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 75 75 74 12 12 12 1 12 1 12 AtmWgt= 74.9215955 74.9215955 73.9211788 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 3 3 0 0 0 0 1 0 1 0 AtZEff= -25.0800000 -25.0800000 -25.2800000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 NQMom= 31.4000000 31.4000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 1.4394700 1.4394700 0.0000000 0.0000000 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 AtZNuc= 33.0000000 33.0000000 32.0000000 6.0000000 6.0000000 6.0000000 1.0000000 6.0000000 1.0000000 6.0000000 Atom 11 12 13 14 15 16 17 18 19 20 IAtWgt= 1 12 12 1 12 1 1 1 12 1 AtmWgt= 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 1 0 0 1 0 1 1 1 0 1 AtZEff= -1.0000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 AtZNuc= 1.0000000 6.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 Atom 21 22 23 24 25 26 27 28 29 30 IAtWgt= 1 1 12 1 12 1 1 1 12 1 AtmWgt= 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 NucSpn= 1 1 0 1 0 1 1 1 0 1 AtZEff= -1.0000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 AtZNuc= 1.0000000 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 Atom 31 32 33 34 35 36 37 38 39 40 IAtWgt= 1 1 12 12 12 1 12 1 12 1 AtmWgt= 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 1 1 0 0 0 1 0 1 0 1 AtZEff= -1.0000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 0.0000000 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 AtZNuc= 1.0000000 1.0000000 6.0000000 6.0000000 6.0000000 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 Atom 41 42 43 44 45 46 47 48 49 50 IAtWgt= 12 12 1 12 1 1 1 12 1 1 AtmWgt= 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 0 0 1 0 1 1 1 0 1 1 AtZEff= -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 AtZNuc= 6.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 1.0000000 Atom 51 52 53 54 55 56 57 58 59 60 IAtWgt= 1 12 1 12 1 1 1 12 1 1 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 1 0 1 1 1 0 1 1 AtZEff= -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 AtZNuc= 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 1.0000000 Atom 61 62 63 64 65 66 67 68 69 70 IAtWgt= 1 12 12 12 1 12 1 12 1 12 AtmWgt= 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 NucSpn= 1 0 0 0 1 0 1 0 1 0 AtZEff= -1.0000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 AtZNuc= 1.0000000 6.0000000 6.0000000 6.0000000 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 6.0000000 Atom 71 72 73 74 75 76 77 78 79 80 IAtWgt= 12 1 12 1 1 1 12 1 1 1 AtmWgt= 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 0 1 0 1 1 1 0 1 1 1 AtZEff= -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 AtZNuc= 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 Atom 81 82 83 84 85 86 87 88 89 90 IAtWgt= 12 1 12 12 12 1 12 1 12 1 AtmWgt= 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 NucSpn= 0 1 0 0 0 1 0 1 0 1 AtZEff= -3.6000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 2.7928460 0.0000000 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 AtZNuc= 6.0000000 1.0000000 6.0000000 6.0000000 6.0000000 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 Atom 91 92 93 94 95 96 97 98 99 100 IAtWgt= 12 12 1 12 1 1 1 12 1 1 AtmWgt= 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 0 0 1 0 1 1 1 0 1 1 AtZEff= -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 AtZNuc= 6.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 1.0000000 Atom 101 102 103 104 105 106 107 108 109 110 IAtWgt= 1 12 1 12 1 1 1 12 1 1 AtmWgt= 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 NucSpn= 1 0 1 0 1 1 1 0 1 1 AtZEff= -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 AtZNuc= 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 1.0000000 Atom 111 112 113 114 115 116 117 118 119 IAtWgt= 1 12 1 1 1 12 1 1 1 AtmWgt= 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 NucSpn= 1 0 1 1 1 0 1 1 1 AtZEff= -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 AtZNuc= 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 Leave Link 101 at Sat Mar 11 14:08:42 2017, MaxMem= 2147483648 cpu: 2.1 (Enter /share/apps/Gaussian/g09/l202.exe) Stoichiometry C48H68As2Ge Framework group C1[X(C48H68As2Ge)] Deg. of freedom 351 Full point group C1 NOp 1 RotChk: IX=3 Diff= 4.81D-16 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 33 0 -1.820280 0.159509 0.898667 2 33 0 1.756238 -0.178179 0.902585 3 32 0 -0.037135 -0.079165 -0.871279 4 6 0 -3.443510 1.037873 0.105402 5 6 0 -3.345783 2.233147 -0.651584 6 6 0 -4.524605 2.845779 -1.107420 7 1 0 -4.451498 3.746569 -1.713684 8 6 0 -5.776968 2.327382 -0.798420 9 1 0 -6.679471 2.816134 -1.162810 10 6 0 -5.869751 1.185582 -0.004505 11 1 0 -6.852570 0.798138 0.252206 12 6 0 -4.724200 0.526960 0.461678 13 6 0 -2.023722 2.893686 -1.041368 14 1 0 -1.217893 2.453477 -0.446084 15 6 0 -1.999903 4.406097 -0.741633 16 1 0 -2.695283 4.956103 -1.389452 17 1 0 -0.988754 4.792515 -0.918966 18 1 0 -2.272408 4.606281 0.301693 19 6 0 -1.701675 2.643456 -2.528630 20 1 0 -1.663100 1.570758 -2.752375 21 1 0 -0.730393 3.085967 -2.786300 22 1 0 -2.474241 3.099221 -3.163792 23 6 0 -4.894078 -0.675249 1.395451 24 1 0 -4.065877 -1.369461 1.216019 25 6 0 -6.189652 -1.481499 1.188229 26 1 0 -7.074525 -0.915192 1.509057 27 1 0 -6.146328 -2.395227 1.795155 28 1 0 -6.328687 -1.770476 0.139215 29 6 0 -4.811004 -0.204250 2.865099 30 1 0 -3.863234 0.309551 3.064529 31 1 0 -4.891862 -1.062305 3.547395 32 1 0 -5.635267 0.489679 3.080776 33 6 0 -1.835331 -1.739854 0.129350 34 6 0 -2.359329 -2.116232 -1.149042 35 6 0 -2.367352 -3.475729 -1.505251 36 1 0 -2.784719 -3.759417 -2.469352 37 6 0 -1.850021 -4.452779 -0.665952 38 1 0 -1.868524 -5.499977 -0.964545 39 6 0 -1.289871 -4.081998 0.556761 40 1 0 -0.871635 -4.847452 1.205779 41 6 0 -1.261282 -2.746795 0.969209 42 6 0 -2.921505 -1.142663 -2.181864 43 1 0 -2.767899 -0.124591 -1.822162 44 6 0 -4.437893 -1.343272 -2.369536 45 1 0 -4.646569 -2.346068 -2.767600 46 1 0 -4.829379 -0.600293 -3.076709 47 1 0 -4.969933 -1.225325 -1.422281 48 6 0 -2.201828 -1.262077 -3.542103 49 1 0 -1.119237 -1.126187 -3.427124 50 1 0 -2.581340 -0.491062 -4.226318 51 1 0 -2.380957 -2.241226 -4.005934 52 6 0 -0.688163 -2.437799 2.349847 53 1 0 -0.435839 -1.374076 2.387176 54 6 0 0.609101 -3.202470 2.667374 55 1 0 0.431821 -4.279145 2.791585 56 1 0 1.032992 -2.823176 3.606049 57 1 0 1.353976 -3.066165 1.874697 58 6 0 -1.765066 -2.689276 3.424643 59 1 0 -2.652774 -2.074760 3.232069 60 1 0 -1.376518 -2.437190 4.421203 61 1 0 -2.065355 -3.746450 3.425217 62 6 0 3.415290 -1.020651 0.163135 63 6 0 3.394146 -2.211545 -0.606303 64 6 0 4.609563 -2.743238 -1.063164 65 1 0 4.595706 -3.642123 -1.676965 66 6 0 5.828629 -2.150709 -0.741218 67 1 0 6.760506 -2.576503 -1.110500 68 6 0 5.845315 -1.025293 0.078165 69 1 0 6.796476 -0.578496 0.364193 70 6 0 4.656376 -0.449296 0.548388 71 6 0 2.112622 -2.955563 -0.979442 72 1 0 1.281388 -2.535382 -0.404472 73 6 0 2.179047 -4.451140 -0.609817 74 1 0 2.933349 -4.978260 -1.208868 75 1 0 1.204341 -4.918161 -0.798604 76 1 0 2.430088 -4.583857 0.449994 77 6 0 1.775828 -2.790780 -2.475000 78 1 0 1.674821 -1.733749 -2.747937 79 1 0 0.828538 -3.296552 -2.705975 80 1 0 2.569677 -3.231196 -3.094590 81 6 0 4.783181 0.743463 1.499143 82 1 0 3.779203 1.072837 1.782897 83 6 0 1.837426 1.697685 0.092934 84 6 0 2.375764 2.021774 -1.191207 85 6 0 2.480433 3.374977 -1.556530 86 1 0 2.908123 3.620811 -2.526819 87 6 0 2.045012 4.394763 -0.720028 88 1 0 2.142933 5.435658 -1.025041 89 6 0 1.460455 4.073329 0.504603 90 1 0 1.099114 4.869652 1.151637 91 6 0 1.332202 2.744831 0.921741 92 6 0 2.825552 1.005088 -2.241308 93 1 0 2.633420 0.002493 -1.858998 94 6 0 4.334009 1.096464 -2.544339 95 1 0 4.593186 2.096114 -2.919926 96 1 0 4.599057 0.361246 -3.315703 97 1 0 4.933637 0.887851 -1.656067 98 6 0 2.029931 1.161640 -3.555760 99 1 0 0.950574 1.089960 -3.378979 100 1 0 2.322431 0.368702 -4.257584 101 1 0 2.238754 2.128679 -4.032743 102 6 0 0.713564 2.489182 2.294838 103 1 0 0.459648 1.426930 2.365036 104 6 0 -0.594616 3.266161 2.530576 105 1 0 -0.424248 4.349927 2.578057 106 1 0 -1.036057 2.953540 3.485880 107 1 0 -1.322427 3.068346 1.735776 108 6 0 1.743206 2.788538 3.402846 109 1 0 2.637558 2.164794 3.281556 110 1 0 1.309905 2.586218 4.392163 111 1 0 2.049995 3.843060 3.366563 112 6 0 5.479288 1.956648 0.855450 113 1 0 5.576385 2.764654 1.593552 114 1 0 4.900125 2.334434 0.006316 115 1 0 6.486563 1.694896 0.502906 116 6 0 5.497633 0.319856 2.798911 117 1 0 4.971357 -0.515806 3.278242 118 1 0 5.533724 1.163174 3.502739 119 1 0 6.528348 0.001075 2.593467 --------------------------------------------------------------------- Rotational constants (GHZ): 0.0769282 0.0470961 0.0403962 Leave Link 202 at Sat Mar 11 14:08:42 2017, MaxMem= 2147483648 cpu: 0.1 (Enter /share/apps/Gaussian/g09/l301.exe) Standard basis: 6-311G(2d,p) (5D, 7F) Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. There are 1767 symmetry adapted cartesian basis functions of A symmetry. There are 1659 symmetry adapted basis functions of A symmetry. 1659 basis functions, 2656 primitive gaussians, 1767 cartesian basis functions 227 alpha electrons 227 beta electrons nuclear repulsion energy 11286.1665251378 Hartrees. IExCor= 3630 DFT=T Ex+Corr=B97D ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NAtoms= 119 NActive= 119 NUniq= 119 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=T Big=T Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. R6Disp: Grimme-D2 Dispersion energy= -0.3479053167 Hartrees. Nuclear repulsion after empirical dispersion term = 11285.8186198211 Hartrees. Standard density basis: Auto (5D, 7F) AutoDB: IAlg=4 SamFac= 1.50 LInc=0 MaxL= 4. Shells with S=P=... and L > 2 split apart in FixB. 7492 Density fitting functions There are 7492 symmetry adapted density basis functions of A symmetry. Leave Link 301 at Sat Mar 11 14:08:42 2017, MaxMem= 2147483648 cpu: 0.6 (Enter /share/apps/Gaussian/g09/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 1659 RedAO= T EigKep= 3.74D-05 NBF= 1659 NBsUse= 1659 1.00D-06 EigRej= -1.00D+00 NBFU= 1659 NBasis= 1659 NBas6D= 1767 NTT= 1376970 NTT6D= 1562028 NDBShl= 1242 NDBF= 7492 NDBF6D= 8930 NNucDB= 0 IDenFi= 2 ISolve= 0 FullAP=F BlkAPC=T NucTyp= 0 TolInv= 1.00D-06 TolIt= 1.00D-10 IR12=0. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=T KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 3 I1Cent= 6 NGrid= 0 NMat0= 1 NMatS0= 8930 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. DBF EigKep= 1.01D-06 EigRej= 9.71D-07 NDBF= 7492 NBFD= 7492 NRank= 7416 NBFDU= 7416 S*AI*S= 14.6185507384 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1579 1579 1579 1579 1579 MxSgAt= 119 MxSgA2= 119. Leave Link 302 at Sat Mar 11 14:14:43 2017, MaxMem= 2147483648 cpu: 2880.1 (Enter /share/apps/Gaussian/g09/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Mar 11 14:14:44 2017, MaxMem= 2147483648 cpu: 3.5 (Enter /share/apps/Gaussian/g09/l401.exe) Initial guess from the checkpoint file: "dipp2as2genbodel2.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Guess basis will be translated and rotated to current coordinates. Recovered 1 saved fitting vectors from chk file. JPrj=2 DoOrth=T DoCkMO=T. Leave Link 401 at Sat Mar 11 14:14:53 2017, MaxMem= 2147483648 cpu: 73.3 (Enter /share/apps/Gaussian/g09/l502.exe) Closed shell SCF: Density fitting will be used, IDenFit= 2 NucTyp= 0. Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 9413911 IEndB= 9413911 NGot= 2147483648 MDV= 2141210434 LenX= 2141210434 LenY= 2138086378 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 1 IDiag 1: FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 2001 NFxFlg= 0 DoJE=T BraDBF=T KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 5 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 4 FoldK=F IRaf= 740000000 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. E= -8421.26143152523 DIIS: error= 5.98D-08 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -8421.26143152523 IErMin= 1 ErrMin= 5.98D-08 ErrMax= 5.98D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-11 BMatP= 1.51D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.070 Goal= None Shift= 0.000 RMSDP=8.65D-09 MaxDP=1.00D-06 OVMax= 5.23D-06 Cycle 2 Pass 1 IDiag 1: RMSU= 8.65D-09 CP: 1.00D+00 E= -8421.26143152462 Delta-E= 0.000000000611 Rises=F Damp=F DIIS: error= 1.83D-07 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 1 EnMin= -8421.26143152523 IErMin= 1 ErrMin= 5.98D-08 ErrMax= 1.83D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-10 BMatP= 1.51D-11 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.748D+00 0.252D+00 Coeff: 0.748D+00 0.252D+00 Gap= 0.070 Goal= None Shift= 0.000 RMSDP=6.77D-09 MaxDP=6.93D-07 DE= 6.11D-10 OVMax= 4.03D-06 SCF Done: E(RB97D) = -8421.26143152 A.U. after 2 cycles NFock= 2 Conv=0.68D-08 -V/T= 2.0021 KE= 8.403780667218D+03 PE=-4.257942226117D+04 EE= 1.446856154261D+04 Leave Link 502 at Sat Mar 11 14:16:12 2017, MaxMem= 2147483648 cpu: 625.1 (Enter /share/apps/Gaussian/g09/l601.exe) Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -423.97017-423.96831-396.92777 -53.26230 -53.26049 Alpha occ. eigenvalues -- -49.23812 -47.68855 -47.68768 -47.68673 -47.68671 Alpha occ. eigenvalues -- -47.68590 -47.68491 -43.89506 -43.89272 -43.89227 Alpha occ. eigenvalues -- -9.92563 -9.92101 -9.91938 -9.91647 -9.91579 Alpha occ. eigenvalues -- -9.91299 -9.90811 -9.90662 -9.90625 -9.90534 Alpha occ. eigenvalues -- -9.90496 -9.90449 -9.90423 -9.90359 -9.90350 Alpha occ. eigenvalues -- -9.90349 -9.90324 -9.90322 -9.90266 -9.90226 Alpha occ. eigenvalues -- -9.90193 -9.90054 -9.90008 -9.89984 -9.89780 Alpha occ. eigenvalues -- -9.89777 -9.89399 -9.89371 -9.89080 -9.89049 Alpha occ. eigenvalues -- -9.89029 -9.88996 -9.88625 -9.88619 -9.88613 Alpha occ. eigenvalues -- -9.88604 -9.88522 -9.88498 -9.88379 -9.88359 Alpha occ. eigenvalues -- -9.88357 -9.88341 -9.88320 -9.88308 -9.88244 Alpha occ. eigenvalues -- -9.88234 -9.88064 -9.87868 -6.73345 -6.73168 Alpha occ. eigenvalues -- -5.97773 -4.84525 -4.84337 -4.84240 -4.84080 Alpha occ. eigenvalues -- -4.83949 -4.83767 -4.20453 -4.19721 -4.19592 Alpha occ. eigenvalues -- -1.51471 -1.51444 -1.51298 -1.51269 -1.51219 Alpha occ. eigenvalues -- -1.51029 -1.50990 -1.50945 -1.50828 -1.50772 Alpha occ. eigenvalues -- -1.10338 -1.10200 -1.10103 -1.09602 -1.09553 Alpha occ. eigenvalues -- -0.79049 -0.78784 -0.78005 -0.77974 -0.74173 Alpha occ. eigenvalues -- -0.73967 -0.73616 -0.73572 -0.71681 -0.71486 Alpha occ. eigenvalues -- -0.71161 -0.71064 -0.67659 -0.67387 -0.66309 Alpha occ. eigenvalues -- -0.66207 -0.65699 -0.65505 -0.65022 -0.64943 Alpha occ. eigenvalues -- -0.61777 -0.61700 -0.61537 -0.61431 -0.61346 Alpha occ. eigenvalues -- -0.61298 -0.61183 -0.60941 -0.57789 -0.56785 Alpha occ. eigenvalues -- -0.56746 -0.56574 -0.56086 -0.56034 -0.54387 Alpha occ. eigenvalues -- -0.54230 -0.53277 -0.53036 -0.52331 -0.52270 Alpha occ. eigenvalues -- -0.50013 -0.49068 -0.48287 -0.48174 -0.47807 Alpha occ. eigenvalues -- -0.47663 -0.44960 -0.44752 -0.44321 -0.43622 Alpha occ. eigenvalues -- -0.43406 -0.43185 -0.42660 -0.42541 -0.40484 Alpha occ. eigenvalues -- -0.40213 -0.40075 -0.39762 -0.39378 -0.39320 Alpha occ. eigenvalues -- -0.39257 -0.39105 -0.39030 -0.38975 -0.38736 Alpha occ. eigenvalues -- -0.38405 -0.38246 -0.38148 -0.37589 -0.37520 Alpha occ. eigenvalues -- -0.37129 -0.36802 -0.36475 -0.36343 -0.36220 Alpha occ. eigenvalues -- -0.36120 -0.35948 -0.35910 -0.35302 -0.35264 Alpha occ. eigenvalues -- -0.35069 -0.34437 -0.34369 -0.34301 -0.34224 Alpha occ. eigenvalues -- -0.34144 -0.34053 -0.33919 -0.33730 -0.33590 Alpha occ. eigenvalues -- -0.33529 -0.33124 -0.33044 -0.32776 -0.32322 Alpha occ. eigenvalues -- -0.32077 -0.31566 -0.31480 -0.31295 -0.31163 Alpha occ. eigenvalues -- -0.30961 -0.30743 -0.30676 -0.30182 -0.30068 Alpha occ. eigenvalues -- -0.29820 -0.29795 -0.29756 -0.29649 -0.29510 Alpha occ. eigenvalues -- -0.29286 -0.29173 -0.29046 -0.28898 -0.28680 Alpha occ. eigenvalues -- -0.28555 -0.28302 -0.28186 -0.28155 -0.27756 Alpha occ. eigenvalues -- -0.27564 -0.27263 -0.27023 -0.26947 -0.26006 Alpha occ. eigenvalues -- -0.24005 -0.23484 -0.22421 -0.21842 -0.21473 Alpha occ. eigenvalues -- -0.21206 -0.20888 -0.20616 -0.20530 -0.20382 Alpha occ. eigenvalues -- -0.18132 -0.15739 Alpha virt. eigenvalues -- -0.08734 -0.04521 -0.04424 -0.03926 -0.03641 Alpha virt. eigenvalues -- -0.03218 -0.03171 -0.02992 -0.02099 -0.01704 Alpha virt. eigenvalues -- -0.01103 0.00924 0.01561 0.01739 0.02121 Alpha virt. eigenvalues -- 0.02967 0.03545 0.03849 0.04031 0.04375 Alpha virt. eigenvalues -- 0.04479 0.04659 0.05208 0.05289 0.05799 Alpha virt. eigenvalues -- 0.06158 0.06434 0.06679 0.06841 0.07011 Alpha virt. eigenvalues -- 0.07350 0.07432 0.07532 0.07715 0.07946 Alpha virt. eigenvalues -- 0.07971 0.08255 0.08463 0.08683 0.08898 Alpha virt. eigenvalues -- 0.09028 0.09086 0.09469 0.09730 0.09818 Alpha virt. eigenvalues -- 0.09935 0.10045 0.10387 0.10416 0.10762 Alpha virt. eigenvalues -- 0.10942 0.11186 0.11339 0.11612 0.11731 Alpha virt. eigenvalues -- 0.11986 0.12194 0.12319 0.12599 0.12636 Alpha virt. eigenvalues -- 0.13109 0.13133 0.13182 0.13308 0.13486 Alpha virt. eigenvalues -- 0.13711 0.13814 0.14033 0.14152 0.14296 Alpha virt. eigenvalues -- 0.14372 0.14679 0.14776 0.14848 0.15058 Alpha virt. eigenvalues -- 0.15252 0.15409 0.15483 0.15703 0.15797 Alpha virt. eigenvalues -- 0.16359 0.16431 0.16601 0.16848 0.17122 Alpha virt. eigenvalues -- 0.17463 0.17468 0.17654 0.17881 0.18152 Alpha virt. eigenvalues -- 0.18222 0.18347 0.18541 0.18980 0.19373 Alpha virt. eigenvalues -- 0.19467 0.20028 0.20361 0.20530 0.20665 Alpha virt. eigenvalues -- 0.20760 0.21035 0.21331 0.21446 0.21612 Alpha virt. eigenvalues -- 0.21917 0.22006 0.22310 0.22601 0.22772 Alpha virt. eigenvalues -- 0.22809 0.22898 0.23081 0.23290 0.23387 Alpha virt. eigenvalues -- 0.23520 0.23795 0.23942 0.24190 0.24550 Alpha virt. eigenvalues -- 0.24856 0.25031 0.25355 0.25604 0.25810 Alpha virt. eigenvalues -- 0.25967 0.26115 0.26590 0.26632 0.26705 Alpha virt. eigenvalues -- 0.27304 0.27446 0.27741 0.27807 0.28242 Alpha virt. eigenvalues -- 0.28527 0.28664 0.28823 0.28883 0.29156 Alpha virt. eigenvalues -- 0.29412 0.29567 0.30153 0.30299 0.30349 Alpha virt. eigenvalues -- 0.30703 0.30904 0.30962 0.31235 0.31852 Alpha virt. eigenvalues -- 0.32030 0.32281 0.32447 0.32701 0.32844 Alpha virt. eigenvalues -- 0.33005 0.33079 0.33328 0.33545 0.33866 Alpha virt. eigenvalues -- 0.33921 0.34386 0.34590 0.34767 0.34996 Alpha virt. eigenvalues -- 0.35399 0.35698 0.35727 0.35936 0.36251 Alpha virt. eigenvalues -- 0.36507 0.36956 0.37373 0.37666 0.38049 Alpha virt. eigenvalues -- 0.38320 0.38478 0.38539 0.38725 0.39022 Alpha virt. eigenvalues -- 0.39098 0.39472 0.39752 0.39991 0.40241 Alpha virt. eigenvalues -- 0.40323 0.40486 0.40574 0.40669 0.40964 Alpha virt. eigenvalues -- 0.41242 0.41619 0.41793 0.42055 0.42138 Alpha virt. eigenvalues -- 0.42457 0.42503 0.42721 0.42836 0.43070 Alpha virt. eigenvalues -- 0.43226 0.43457 0.43623 0.43808 0.44047 Alpha virt. eigenvalues -- 0.44254 0.44350 0.44458 0.44805 0.45054 Alpha virt. eigenvalues -- 0.45376 0.45487 0.45678 0.45821 0.46101 Alpha virt. eigenvalues -- 0.46163 0.46423 0.46623 0.46815 0.47060 Alpha virt. eigenvalues -- 0.47323 0.47679 0.47915 0.47969 0.48251 Alpha virt. eigenvalues -- 0.48372 0.48716 0.48916 0.49083 0.49300 Alpha virt. eigenvalues -- 0.49692 0.49737 0.49916 0.50240 0.50452 Alpha virt. eigenvalues -- 0.50514 0.50833 0.51095 0.51224 0.51354 Alpha virt. eigenvalues -- 0.51407 0.51711 0.51831 0.51972 0.52134 Alpha virt. eigenvalues -- 0.52445 0.52513 0.52712 0.52786 0.52848 Alpha virt. eigenvalues -- 0.52990 0.53149 0.53279 0.53503 0.53627 Alpha virt. eigenvalues -- 0.53784 0.53965 0.54234 0.54322 0.54426 Alpha virt. eigenvalues -- 0.54595 0.54635 0.55001 0.55082 0.55239 Alpha virt. eigenvalues -- 0.55463 0.55648 0.55829 0.55884 0.56084 Alpha virt. eigenvalues -- 0.56261 0.56516 0.56868 0.56944 0.56972 Alpha virt. eigenvalues -- 0.57032 0.57363 0.57430 0.57635 0.57737 Alpha virt. eigenvalues -- 0.57907 0.58259 0.58411 0.58495 0.58577 Alpha virt. eigenvalues -- 0.58722 0.58827 0.59081 0.59173 0.59394 Alpha virt. eigenvalues -- 0.59542 0.59620 0.59761 0.60074 0.60163 Alpha virt. eigenvalues -- 0.60375 0.60480 0.60749 0.61270 0.61342 Alpha virt. eigenvalues -- 0.61405 0.61697 0.61730 0.62020 0.62066 Alpha virt. eigenvalues -- 0.62314 0.62531 0.62674 0.63112 0.63340 Alpha virt. eigenvalues -- 0.63744 0.64045 0.64117 0.64424 0.64699 Alpha virt. eigenvalues -- 0.64838 0.65251 0.65412 0.65492 0.65857 Alpha virt. eigenvalues -- 0.66072 0.66318 0.66743 0.66960 0.67309 Alpha virt. eigenvalues -- 0.67357 0.67802 0.67863 0.68286 0.68438 Alpha virt. eigenvalues -- 0.68731 0.68899 0.69446 0.69489 0.69891 Alpha virt. eigenvalues -- 0.70329 0.70351 0.70509 0.70874 0.71014 Alpha virt. eigenvalues -- 0.71291 0.71523 0.71632 0.71816 0.72087 Alpha virt. eigenvalues -- 0.72341 0.72591 0.72796 0.72845 0.73092 Alpha virt. eigenvalues -- 0.73219 0.73310 0.73801 0.73890 0.74247 Alpha virt. eigenvalues -- 0.74442 0.74972 0.75104 0.75257 0.75705 Alpha virt. eigenvalues -- 0.75815 0.76128 0.76391 0.76500 0.76861 Alpha virt. eigenvalues -- 0.76916 0.77222 0.77323 0.77819 0.77935 Alpha virt. eigenvalues -- 0.78171 0.78612 0.78663 0.78920 0.79298 Alpha virt. eigenvalues -- 0.79365 0.79560 0.79753 0.80307 0.80849 Alpha virt. eigenvalues -- 0.81022 0.81108 0.81262 0.81685 0.81732 Alpha virt. eigenvalues -- 0.82230 0.82412 0.82793 0.82914 0.83159 Alpha virt. eigenvalues -- 0.83597 0.83655 0.84240 0.84367 0.84680 Alpha virt. eigenvalues -- 0.84898 0.85267 0.85361 0.85539 0.86079 Alpha virt. eigenvalues -- 0.86549 0.86798 0.86878 0.87178 0.87471 Alpha virt. eigenvalues -- 0.87667 0.88165 0.88234 0.88657 0.89070 Alpha virt. eigenvalues -- 0.89421 0.89647 0.89898 0.90153 0.90629 Alpha virt. eigenvalues -- 0.90653 0.91019 0.91318 0.91653 0.91851 Alpha virt. eigenvalues -- 0.92032 0.92430 0.92880 0.93098 0.93352 Alpha virt. eigenvalues -- 0.93432 0.93749 0.93784 0.94079 0.94323 Alpha virt. eigenvalues -- 0.94952 0.95269 0.95438 0.95536 0.96156 Alpha virt. eigenvalues -- 0.96366 0.96545 0.97011 0.97141 0.97502 Alpha virt. eigenvalues -- 0.97642 0.98260 0.98377 0.98497 0.98543 Alpha virt. eigenvalues -- 0.99144 0.99358 0.99805 0.99922 1.00052 Alpha virt. eigenvalues -- 1.00333 1.00782 1.01006 1.01443 1.01471 Alpha virt. eigenvalues -- 1.01746 1.02094 1.02406 1.02445 1.02689 Alpha virt. eigenvalues -- 1.03186 1.03646 1.03832 1.04016 1.04196 Alpha virt. eigenvalues -- 1.04235 1.04731 1.05296 1.05584 1.05873 Alpha virt. eigenvalues -- 1.06056 1.06305 1.06562 1.06928 1.07392 Alpha virt. eigenvalues -- 1.07531 1.08032 1.08289 1.08595 1.08813 Alpha virt. eigenvalues -- 1.09108 1.09175 1.09398 1.09617 1.09982 Alpha virt. eigenvalues -- 1.10174 1.10446 1.10973 1.11291 1.11325 Alpha virt. eigenvalues -- 1.11681 1.12044 1.12143 1.12251 1.12461 Alpha virt. eigenvalues -- 1.12704 1.12996 1.13351 1.13479 1.13829 Alpha virt. eigenvalues -- 1.14085 1.14342 1.14404 1.14556 1.14853 Alpha virt. eigenvalues -- 1.15167 1.15545 1.15557 1.16137 1.16445 Alpha virt. eigenvalues -- 1.16637 1.16721 1.17045 1.17150 1.17370 Alpha virt. eigenvalues -- 1.17573 1.17966 1.18145 1.18260 1.18341 Alpha virt. eigenvalues -- 1.18950 1.19091 1.19314 1.19496 1.19789 Alpha virt. eigenvalues -- 1.19888 1.20051 1.20325 1.20530 1.20665 Alpha virt. eigenvalues -- 1.20884 1.21266 1.21497 1.21752 1.21986 Alpha virt. eigenvalues -- 1.22141 1.22363 1.22566 1.22844 1.23037 Alpha virt. eigenvalues -- 1.23519 1.23866 1.24056 1.24253 1.24632 Alpha virt. eigenvalues -- 1.24729 1.24945 1.25364 1.25611 1.25914 Alpha virt. eigenvalues -- 1.26111 1.26165 1.26552 1.26690 1.27052 Alpha virt. eigenvalues -- 1.27159 1.27823 1.28130 1.28444 1.28797 Alpha virt. eigenvalues -- 1.28925 1.29181 1.29416 1.29452 1.29668 Alpha virt. eigenvalues -- 1.30124 1.30607 1.30789 1.31168 1.31323 Alpha virt. eigenvalues -- 1.31607 1.31896 1.32137 1.32533 1.32944 Alpha virt. eigenvalues -- 1.33290 1.33569 1.33738 1.34061 1.34152 Alpha virt. eigenvalues -- 1.34531 1.34962 1.35255 1.35588 1.35876 Alpha virt. eigenvalues -- 1.36073 1.36530 1.36720 1.36874 1.37388 Alpha virt. eigenvalues -- 1.37558 1.38046 1.38535 1.39083 1.39198 Alpha virt. eigenvalues -- 1.39552 1.39790 1.40415 1.40739 1.40968 Alpha virt. eigenvalues -- 1.41124 1.41365 1.41851 1.41867 1.42490 Alpha virt. eigenvalues -- 1.42758 1.42912 1.42974 1.43242 1.43537 Alpha virt. eigenvalues -- 1.43736 1.44340 1.44638 1.44756 1.44939 Alpha virt. eigenvalues -- 1.45232 1.45540 1.45834 1.46104 1.46421 Alpha virt. eigenvalues -- 1.46666 1.47117 1.47420 1.47914 1.48123 Alpha virt. eigenvalues -- 1.48549 1.48723 1.49003 1.49314 1.49474 Alpha virt. eigenvalues -- 1.49750 1.49798 1.50254 1.50662 1.51142 Alpha virt. eigenvalues -- 1.51570 1.51964 1.52422 1.52574 1.53043 Alpha virt. eigenvalues -- 1.53181 1.53478 1.53884 1.54015 1.54255 Alpha virt. eigenvalues -- 1.54697 1.55058 1.55391 1.55803 1.55854 Alpha virt. eigenvalues -- 1.56358 1.57191 1.57387 1.57776 1.58108 Alpha virt. eigenvalues -- 1.58341 1.59114 1.59373 1.59591 1.59782 Alpha virt. eigenvalues -- 1.60375 1.61811 1.62466 1.63057 1.63303 Alpha virt. eigenvalues -- 1.63947 1.64180 1.64807 1.65084 1.65401 Alpha virt. eigenvalues -- 1.65925 1.66547 1.66620 1.67626 1.67863 Alpha virt. eigenvalues -- 1.68122 1.68386 1.68755 1.68933 1.69449 Alpha virt. eigenvalues -- 1.70049 1.70627 1.71030 1.71760 1.72245 Alpha virt. eigenvalues -- 1.72822 1.73109 1.74049 1.74846 1.74978 Alpha virt. eigenvalues -- 1.75359 1.75602 1.75980 1.76189 1.76849 Alpha virt. eigenvalues -- 1.76903 1.77307 1.77566 1.77952 1.78133 Alpha virt. eigenvalues -- 1.78246 1.78919 1.79337 1.79744 1.80168 Alpha virt. eigenvalues -- 1.80796 1.80902 1.82140 1.82173 1.82337 Alpha virt. eigenvalues -- 1.82584 1.83338 1.83791 1.83897 1.84187 Alpha virt. eigenvalues -- 1.84675 1.85036 1.85329 1.85389 1.85908 Alpha virt. eigenvalues -- 1.85984 1.86521 1.86877 1.87008 1.87356 Alpha virt. eigenvalues -- 1.87586 1.87614 1.87889 1.88651 1.88845 Alpha virt. eigenvalues -- 1.89101 1.89383 1.89852 1.90317 1.90606 Alpha virt. eigenvalues -- 1.91006 1.91539 1.92061 1.92252 1.92789 Alpha virt. eigenvalues -- 1.93222 1.93636 1.94052 1.94147 1.94653 Alpha virt. eigenvalues -- 1.95410 1.95533 1.95942 1.96330 1.96757 Alpha virt. eigenvalues -- 1.98386 1.99774 2.02019 2.03230 2.03677 Alpha virt. eigenvalues -- 2.04514 2.04773 2.05021 2.05442 2.05805 Alpha virt. eigenvalues -- 2.05900 2.06317 2.06528 2.06772 2.07254 Alpha virt. eigenvalues -- 2.07482 2.08376 2.08488 2.09552 2.09876 Alpha virt. eigenvalues -- 2.10490 2.11149 2.11649 2.11811 2.11991 Alpha virt. eigenvalues -- 2.12664 2.12878 2.13038 2.13337 2.13963 Alpha virt. eigenvalues -- 2.14641 2.15229 2.15358 2.15487 2.16016 Alpha virt. eigenvalues -- 2.16241 2.16507 2.16544 2.16872 2.17238 Alpha virt. eigenvalues -- 2.17564 2.17817 2.18068 2.18455 2.18644 Alpha virt. eigenvalues -- 2.19124 2.19668 2.19782 2.20203 2.20480 Alpha virt. eigenvalues -- 2.20615 2.20948 2.21334 2.21510 2.21915 Alpha virt. eigenvalues -- 2.22000 2.22412 2.22723 2.22915 2.23550 Alpha virt. eigenvalues -- 2.23987 2.24146 2.25002 2.25210 2.25962 Alpha virt. eigenvalues -- 2.26164 2.26359 2.26610 2.26924 2.27370 Alpha virt. eigenvalues -- 2.27538 2.27648 2.28083 2.28147 2.28468 Alpha virt. eigenvalues -- 2.28790 2.28943 2.29096 2.29542 2.29692 Alpha virt. eigenvalues -- 2.29919 2.30344 2.30607 2.30705 2.30941 Alpha virt. eigenvalues -- 2.31227 2.31606 2.31791 2.32250 2.32876 Alpha virt. eigenvalues -- 2.33367 2.33855 2.34560 2.34760 2.35050 Alpha virt. eigenvalues -- 2.35547 2.35823 2.36500 2.36927 2.37681 Alpha virt. eigenvalues -- 2.37978 2.39132 2.39335 2.40045 2.40077 Alpha virt. eigenvalues -- 2.41338 2.41601 2.41965 2.42499 2.43096 Alpha virt. eigenvalues -- 2.43700 2.43937 2.44094 2.44756 2.45481 Alpha virt. eigenvalues -- 2.46380 2.47470 2.48009 2.48976 2.49143 Alpha virt. eigenvalues -- 2.49470 2.50523 2.51200 2.52452 2.52526 Alpha virt. eigenvalues -- 2.52970 2.53546 2.53836 2.54168 2.54370 Alpha virt. eigenvalues -- 2.54958 2.55065 2.55198 2.55710 2.55971 Alpha virt. eigenvalues -- 2.56280 2.56541 2.57023 2.57555 2.57603 Alpha virt. eigenvalues -- 2.57969 2.58136 2.58485 2.58796 2.59185 Alpha virt. eigenvalues -- 2.59860 2.60207 2.60742 2.60932 2.61234 Alpha virt. eigenvalues -- 2.61284 2.62021 2.62368 2.62548 2.63063 Alpha virt. eigenvalues -- 2.63213 2.63553 2.64103 2.64223 2.64854 Alpha virt. eigenvalues -- 2.65015 2.65036 2.65682 2.65793 2.66228 Alpha virt. eigenvalues -- 2.66528 2.67148 2.67433 2.67914 2.68299 Alpha virt. eigenvalues -- 2.68529 2.69155 2.69254 2.70096 2.70284 Alpha virt. eigenvalues -- 2.71553 2.71623 2.72028 2.73859 2.74112 Alpha virt. eigenvalues -- 2.74296 2.75182 2.75390 2.76295 2.77121 Alpha virt. eigenvalues -- 2.77579 2.77703 2.77961 2.78777 2.78972 Alpha virt. eigenvalues -- 2.79338 2.79445 2.79840 2.80220 2.80733 Alpha virt. eigenvalues -- 2.80944 2.81132 2.81728 2.82722 2.83576 Alpha virt. eigenvalues -- 2.83756 2.84214 2.84798 2.85293 2.86146 Alpha virt. eigenvalues -- 2.86317 2.87062 2.87625 2.87823 2.89080 Alpha virt. eigenvalues -- 2.90047 2.90583 2.90946 2.91988 2.92322 Alpha virt. eigenvalues -- 2.93274 2.93569 2.93722 2.94160 2.95394 Alpha virt. eigenvalues -- 2.96126 2.96718 2.97419 2.97536 2.98231 Alpha virt. eigenvalues -- 2.98549 2.98606 2.99493 2.99819 3.00126 Alpha virt. eigenvalues -- 3.00367 3.01129 3.02184 3.02478 3.02816 Alpha virt. eigenvalues -- 3.03626 3.04243 3.05055 3.05331 3.05613 Alpha virt. eigenvalues -- 3.06518 3.07006 3.07539 3.08080 3.08562 Alpha virt. eigenvalues -- 3.08886 3.08930 3.09356 3.09667 3.10038 Alpha virt. eigenvalues -- 3.10292 3.10903 3.11499 3.11700 3.12298 Alpha virt. eigenvalues -- 3.12712 3.12865 3.12984 3.13797 3.13916 Alpha virt. eigenvalues -- 3.14424 3.15508 3.15831 3.16180 3.16350 Alpha virt. eigenvalues -- 3.16470 3.16944 3.17014 3.17431 3.17775 Alpha virt. eigenvalues -- 3.17969 3.18205 3.18452 3.18563 3.18731 Alpha virt. eigenvalues -- 3.19100 3.19840 3.20015 3.20369 3.21021 Alpha virt. eigenvalues -- 3.21158 3.21276 3.21562 3.21909 3.22154 Alpha virt. eigenvalues -- 3.22537 3.22834 3.23152 3.23643 3.23702 Alpha virt. eigenvalues -- 3.23723 3.24290 3.24515 3.24648 3.25214 Alpha virt. eigenvalues -- 3.25633 3.25967 3.26087 3.26260 3.26540 Alpha virt. eigenvalues -- 3.27029 3.27121 3.27317 3.27546 3.28666 Alpha virt. eigenvalues -- 3.28926 3.29500 3.29909 3.30709 3.30808 Alpha virt. eigenvalues -- 3.31286 3.32014 3.32411 3.32699 3.32773 Alpha virt. eigenvalues -- 3.32900 3.33805 3.34524 3.35269 3.35723 Alpha virt. eigenvalues -- 3.36280 3.36707 3.37411 3.37732 3.38046 Alpha virt. eigenvalues -- 3.38165 3.38778 3.38980 3.39282 3.39364 Alpha virt. eigenvalues -- 3.39624 3.39901 3.40309 3.40561 3.41100 Alpha virt. eigenvalues -- 3.41167 3.41533 3.41589 3.41874 3.42368 Alpha virt. eigenvalues -- 3.42613 3.42771 3.43128 3.43339 3.43647 Alpha virt. eigenvalues -- 3.43711 3.43904 3.44333 3.44547 3.44725 Alpha virt. eigenvalues -- 3.44865 3.44943 3.45264 3.45404 3.45691 Alpha virt. eigenvalues -- 3.46091 3.46173 3.46569 3.46777 3.46902 Alpha virt. eigenvalues -- 3.47197 3.47544 3.47673 3.47866 3.48075 Alpha virt. eigenvalues -- 3.48704 3.48840 3.48880 3.49282 3.49480 Alpha virt. eigenvalues -- 3.49718 3.49956 3.50489 3.50837 3.50970 Alpha virt. eigenvalues -- 3.51084 3.51353 3.51485 3.51797 3.51964 Alpha virt. eigenvalues -- 3.52589 3.52854 3.52924 3.53246 3.53316 Alpha virt. eigenvalues -- 3.53604 3.54366 3.54453 3.54803 3.54975 Alpha virt. eigenvalues -- 3.55199 3.55518 3.55639 3.55950 3.56301 Alpha virt. eigenvalues -- 3.56414 3.56995 3.57221 3.57526 3.57678 Alpha virt. eigenvalues -- 3.57860 3.58108 3.58537 3.59019 3.59204 Alpha virt. eigenvalues -- 3.59526 3.59788 3.60083 3.60221 3.60581 Alpha virt. eigenvalues -- 3.60922 3.61493 3.61753 3.61939 3.62196 Alpha virt. eigenvalues -- 3.62341 3.62400 3.62460 3.63163 3.63560 Alpha virt. eigenvalues -- 3.63898 3.64258 3.64311 3.64538 3.64850 Alpha virt. eigenvalues -- 3.64921 3.65359 3.65637 3.65803 3.66070 Alpha virt. eigenvalues -- 3.66430 3.66585 3.66810 3.67420 3.67520 Alpha virt. eigenvalues -- 3.67866 3.68103 3.68549 3.68702 3.69019 Alpha virt. eigenvalues -- 3.69419 3.69709 3.70157 3.70288 3.70382 Alpha virt. eigenvalues -- 3.70617 3.71066 3.71225 3.71569 3.71952 Alpha virt. eigenvalues -- 3.72076 3.72377 3.72571 3.73117 3.73437 Alpha virt. eigenvalues -- 3.73755 3.74301 3.74865 3.75773 3.76333 Alpha virt. eigenvalues -- 3.76949 3.77103 3.78009 3.78634 3.78945 Alpha virt. eigenvalues -- 3.79128 3.79690 3.80306 3.80756 3.81357 Alpha virt. eigenvalues -- 3.82077 3.82560 3.82663 3.83240 3.83683 Alpha virt. eigenvalues -- 3.83765 3.84054 3.84624 3.85233 3.85438 Alpha virt. eigenvalues -- 3.85907 3.86651 3.86679 3.87308 3.87727 Alpha virt. eigenvalues -- 3.87984 3.88292 3.88951 3.89263 3.89984 Alpha virt. eigenvalues -- 3.90283 3.90993 3.91605 3.91812 3.92102 Alpha virt. eigenvalues -- 3.93035 3.94464 3.96583 3.97377 3.98221 Alpha virt. eigenvalues -- 3.98616 4.00289 4.00962 4.01487 4.01895 Alpha virt. eigenvalues -- 4.02264 4.02481 4.03392 4.03612 4.04083 Alpha virt. eigenvalues -- 4.04622 4.05034 4.05241 4.05802 4.06753 Alpha virt. eigenvalues -- 4.07540 4.07842 4.08381 4.09488 4.12050 Alpha virt. eigenvalues -- 4.12291 4.12425 4.12484 4.12568 4.12694 Alpha virt. eigenvalues -- 4.12825 4.13024 4.13214 4.13489 4.13988 Alpha virt. eigenvalues -- 4.14134 4.14655 4.14779 4.15247 4.15267 Alpha virt. eigenvalues -- 4.15740 4.15825 4.16203 4.16622 4.16986 Alpha virt. eigenvalues -- 4.17314 4.17813 4.18271 4.18367 4.18919 Alpha virt. eigenvalues -- 4.19460 4.19790 4.20133 4.20464 4.20828 Alpha virt. eigenvalues -- 4.21712 4.23074 4.23486 4.23767 4.24578 Alpha virt. eigenvalues -- 4.25015 4.25258 4.25666 4.26176 4.26759 Alpha virt. eigenvalues -- 4.27606 4.28539 4.29799 4.30382 4.33196 Alpha virt. eigenvalues -- 4.33908 4.35362 4.35907 4.36866 4.37945 Alpha virt. eigenvalues -- 4.38212 4.38485 4.39288 4.39757 4.40022 Alpha virt. eigenvalues -- 4.40414 4.40598 4.40868 4.41071 4.41644 Alpha virt. eigenvalues -- 4.42179 4.43121 4.43196 4.47425 4.47834 Alpha virt. eigenvalues -- 4.49176 4.50664 4.52473 4.53045 4.53137 Alpha virt. eigenvalues -- 4.53554 4.57870 4.58099 4.59669 4.60581 Alpha virt. eigenvalues -- 4.72691 4.72732 4.73374 4.73404 4.78058 Alpha virt. eigenvalues -- 4.79766 4.79892 4.80839 4.81466 4.82480 Alpha virt. eigenvalues -- 5.06360 5.15103 5.16167 5.17330 5.17441 Alpha virt. eigenvalues -- 5.98699 6.26359 6.28490 6.40025 6.44728 Alpha virt. eigenvalues -- 6.47526 6.53466 6.80407 6.88000 23.49128 Alpha virt. eigenvalues -- 23.51203 23.51962 23.54100 23.70538 23.70679 Alpha virt. eigenvalues -- 23.70980 23.71081 23.71639 23.72153 23.72680 Alpha virt. eigenvalues -- 23.73751 23.84381 23.85430 23.85632 23.85840 Alpha virt. eigenvalues -- 23.86165 23.86236 23.86335 23.86718 23.87065 Alpha virt. eigenvalues -- 23.87362 23.87598 23.88224 23.88965 23.89071 Alpha virt. eigenvalues -- 23.89114 23.89972 23.91076 23.91580 23.91980 Alpha virt. eigenvalues -- 23.92262 23.92386 23.92649 23.93673 23.93957 Alpha virt. eigenvalues -- 23.95651 23.96298 23.97094 23.97400 23.99429 Alpha virt. eigenvalues -- 23.99889 24.01547 24.01781 24.03755 24.04374 Alpha virt. eigenvalues -- 24.05197 24.05824 44.00207 47.86848 47.91725 Alpha virt. eigenvalues -- 223.74570 223.75811 223.98551 242.40157 242.41698 Alpha virt. eigenvalues -- 242.53827 242.55938 242.59457 242.65143 843.09251 Alpha virt. eigenvalues -- 900.67916 900.73868 Condensed to atoms (all electrons): Mulliken charges: 1 1 As 0.332680 2 As 0.292060 3 Ge 0.342865 4 C -0.520603 5 C 0.190146 6 C -0.053776 7 H 0.038146 8 C -0.089482 9 H 0.039668 10 C -0.055504 11 H 0.037414 12 C 0.146885 13 C -0.166354 14 H 0.101561 15 C -0.215520 16 H 0.072350 17 H 0.091190 18 H 0.083212 19 C -0.228888 20 H 0.107539 21 H 0.091039 22 H 0.069412 23 C -0.155903 24 H 0.086887 25 C -0.236075 26 H 0.079591 27 H 0.083863 28 H 0.079972 29 C -0.203902 30 H 0.098576 31 H 0.078341 32 H 0.076971 33 C -0.712044 34 C 0.251427 35 C -0.041248 36 H 0.046497 37 C -0.083024 38 H 0.046118 39 C -0.048731 40 H 0.040918 41 C 0.210942 42 C -0.162665 43 H 0.095234 44 C -0.209621 45 H 0.067575 46 H 0.078189 47 H 0.119030 48 C -0.219326 49 H 0.110344 50 H 0.082187 51 H 0.070131 52 C -0.151454 53 H 0.103036 54 C -0.231740 55 H 0.073305 56 H 0.083061 57 H 0.114078 58 C -0.216604 59 H 0.110730 60 H 0.076846 61 H 0.072303 62 C -0.548087 63 C 0.186449 64 C -0.054626 65 H 0.038433 66 C -0.076597 67 H 0.039532 68 C -0.045884 69 H 0.041625 70 C 0.143363 71 C -0.158744 72 H 0.099171 73 C -0.213734 74 H 0.073176 75 H 0.085930 76 H 0.083024 77 C -0.227079 78 H 0.105226 79 H 0.087332 80 H 0.069360 81 C -0.124912 82 H 0.096567 83 C -0.652839 84 C 0.228781 85 C -0.049719 86 H 0.045546 87 C -0.074086 88 H 0.044860 89 C -0.053546 90 H 0.040932 91 C 0.199121 92 C -0.159823 93 H 0.093251 94 C -0.214898 95 H 0.067327 96 H 0.074591 97 H 0.118354 98 C -0.218707 99 H 0.112707 100 H 0.081138 101 H 0.069321 102 C -0.134589 103 H 0.100113 104 C -0.229565 105 H 0.072695 106 H 0.082308 107 H 0.114043 108 C -0.211158 109 H 0.090690 110 H 0.076770 111 H 0.074087 112 C -0.239889 113 H 0.074328 114 H 0.115310 115 H 0.070454 116 C -0.217512 117 H 0.086993 118 H 0.078722 119 H 0.074509 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 As 0.332680 2 As 0.292060 3 Ge 0.342865 4 C -0.520603 5 C 0.190146 6 C -0.015631 8 C -0.049814 10 C -0.018089 12 C 0.146885 13 C -0.064793 15 C 0.031232 19 C 0.039102 23 C -0.069016 25 C 0.007351 29 C 0.049986 33 C -0.712044 34 C 0.251427 35 C 0.005249 37 C -0.036907 39 C -0.007813 41 C 0.210942 42 C -0.067431 44 C 0.055173 48 C 0.043337 52 C -0.048418 54 C 0.038703 58 C 0.043275 62 C -0.548087 63 C 0.186449 64 C -0.016193 66 C -0.037066 68 C -0.004259 70 C 0.143363 71 C -0.059574 73 C 0.028396 77 C 0.034839 81 C -0.028344 83 C -0.652839 84 C 0.228781 85 C -0.004173 87 C -0.029226 89 C -0.012614 91 C 0.199121 92 C -0.066572 94 C 0.045375 98 C 0.044459 102 C -0.034476 104 C 0.039482 108 C 0.030389 112 C 0.020204 116 C 0.022712 Electronic spatial extent (au): = 30662.4044 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2379 Y= -0.2393 Z= -0.8385 Tot= 0.9039 Quadrupole moment (field-independent basis, Debye-Ang): XX= -350.3103 YY= -338.0911 ZZ= -351.3095 XY= 3.1812 XZ= -0.2438 YZ= 0.2416 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -3.7400 YY= 8.4792 ZZ= -4.7392 XY= 3.1812 XZ= -0.2438 YZ= 0.2416 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -8.4554 YYY= -6.9520 ZZZ= 35.8188 XYY= -1.8799 XXY= -0.7131 XXZ= -13.6702 XZZ= -3.1746 YZZ= -1.3137 YYZ= -12.7606 XYZ= 13.9781 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -22663.3003 YYYY= -11835.2084 ZZZZ= -7363.4926 XXXY= -230.7147 XXXZ= -30.8989 YYYX= 89.9217 YYYZ= 4.3369 ZZZX= -0.6457 ZZZY= 1.6115 XXYY= -5921.6924 XXZZ= -5128.3736 YYZZ= -3184.1143 XXYZ= 8.5267 YYXZ= 3.6402 ZZXY= 20.2684 N-N= 1.128581861982D+04 E-N=-4.257942214537D+04 KE= 8.403780667218D+03 Leave Link 601 at Sat Mar 11 14:16:13 2017, MaxMem= 2147483648 cpu: 7.0 (Enter /share/apps/Gaussian/g09/l607.exe) ******************************Gaussian NBO Version 3.1****************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set /FILE / : Set to DFC_C Analyzing the SCF density Job title: dipp2as2genbodel2 Storage needed: 8301104 in NPA, 11028311 in NBO (2147411653 available) NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 As 1 S Cor( 1S) 2.00000 -420.48369 2 As 1 S Cor( 2S) 2.00000 -53.80268 3 As 1 S Cor( 3S) 1.99827 -9.32644 4 As 1 S Val( 4S) 1.61421 -0.61114 5 As 1 S Ryd( 5S) 0.00416 1.98169 6 As 1 S Ryd( 6S) 0.00003 13.17886 7 As 1 S Ryd( 7S) 0.00000 50.96308 8 As 1 S Ryd( 8S) 0.00000 888.77312 9 As 1 px Cor( 2p) 2.00000 -47.52666 10 As 1 px Cor( 3p) 1.99974 -4.99670 11 As 1 px Val( 4p) 0.99200 -0.09805 12 As 1 px Ryd( 5p) 0.00249 0.92602 13 As 1 px Ryd( 6p) 0.00020 2.68622 14 As 1 px Ryd( 7p) 0.00002 9.30108 15 As 1 px Ryd( 8p) 0.00000 239.01901 16 As 1 py Cor( 2p) 2.00000 -47.52735 17 As 1 py Cor( 3p) 1.99976 -4.99753 18 As 1 py Val( 4p) 0.69161 -0.06961 19 As 1 py Ryd( 5p) 0.00306 0.85149 20 As 1 py Ryd( 6p) 0.00025 2.62233 21 As 1 py Ryd( 7p) 0.00002 9.26851 22 As 1 py Ryd( 8p) 0.00000 239.02208 23 As 1 pz Cor( 2p) 2.00000 -47.52570 24 As 1 pz Cor( 3p) 1.99983 -4.99511 25 As 1 pz Val( 4p) 1.38388 -0.13465 26 As 1 pz Ryd( 5p) 0.00198 0.69435 27 As 1 pz Ryd( 6p) 0.00022 2.42706 28 As 1 pz Ryd( 7p) 0.00001 9.21251 29 As 1 pz Ryd( 8p) 0.00000 239.01081 30 As 1 dxy Cor( 3d) 1.99950 -1.51342 31 As 1 dxy Ryd( 4d) 0.00176 0.95333 32 As 1 dxy Ryd( 5d) 0.00116 1.61072 33 As 1 dxy Ryd( 6d) 0.00002 3.89043 34 As 1 dxz Cor( 3d) 1.99968 -1.50976 35 As 1 dxz Ryd( 4d) 0.01321 1.04704 36 As 1 dxz Ryd( 5d) 0.00097 1.62057 37 As 1 dxz Ryd( 6d) 0.00002 3.84779 38 As 1 dyz Cor( 3d) 1.99961 -1.51108 39 As 1 dyz Ryd( 4d) 0.00418 1.12009 40 As 1 dyz Ryd( 5d) 0.00071 1.70383 41 As 1 dyz Ryd( 6d) 0.00002 3.86665 42 As 1 dx2y2 Cor( 3d) 1.99939 -1.51329 43 As 1 dx2y2 Ryd( 4d) 0.00188 1.23508 44 As 1 dx2y2 Ryd( 5d) 0.00091 1.93927 45 As 1 dx2y2 Ryd( 6d) 0.00004 3.94568 46 As 1 dz2 Cor( 3d) 1.99972 -1.50948 47 As 1 dz2 Ryd( 4d) 0.00667 0.85255 48 As 1 dz2 Ryd( 5d) 0.00063 1.53332 49 As 1 dz2 Ryd( 6d) 0.00002 3.87502 50 As 2 S Cor( 1S) 2.00000 -420.43185 51 As 2 S Cor( 2S) 2.00000 -53.85806 52 As 2 S Cor( 3S) 1.99826 -9.31748 53 As 2 S Val( 4S) 1.60869 -0.60783 54 As 2 S Ryd( 5S) 0.00380 2.00589 55 As 2 S Ryd( 6S) 0.00004 13.01720 56 As 2 S Ryd( 7S) 0.00000 49.57771 57 As 2 S Ryd( 8S) 0.00000 890.30247 58 As 2 px Cor( 2p) 2.00000 -47.52429 59 As 2 px Cor( 3p) 1.99973 -4.99542 60 As 2 px Val( 4p) 0.97889 -0.09345 61 As 2 px Ryd( 5p) 0.00253 0.94258 62 As 2 px Ryd( 6p) 0.00028 2.65334 63 As 2 px Ryd( 7p) 0.00002 9.20402 64 As 2 px Ryd( 8p) 0.00000 238.98564 65 As 2 py Cor( 2p) 2.00000 -47.52492 66 As 2 py Cor( 3p) 1.99977 -4.99633 67 As 2 py Val( 4p) 0.70696 -0.07110 68 As 2 py Ryd( 5p) 0.00299 0.85723 69 As 2 py Ryd( 6p) 0.00025 2.70271 70 As 2 py Ryd( 7p) 0.00002 9.20305 71 As 2 py Ryd( 8p) 0.00000 238.98882 72 As 2 pz Cor( 2p) 2.00000 -47.52327 73 As 2 pz Cor( 3p) 1.99982 -4.99379 74 As 2 pz Val( 4p) 1.39977 -0.13372 75 As 2 pz Ryd( 5p) 0.00198 0.63666 76 As 2 pz Ryd( 6p) 0.00023 2.52033 77 As 2 pz Ryd( 7p) 0.00002 9.12296 78 As 2 pz Ryd( 8p) 0.00000 238.97889 79 As 2 dxy Cor( 3d) 1.99950 -1.51170 80 As 2 dxy Ryd( 4d) 0.00148 0.96845 81 As 2 dxy Ryd( 5d) 0.00128 1.62244 82 As 2 dxy Ryd( 6d) 0.00002 3.88050 83 As 2 dxz Cor( 3d) 1.99968 -1.50807 84 As 2 dxz Ryd( 4d) 0.01317 1.08182 85 As 2 dxz Ryd( 5d) 0.00105 1.63745 86 As 2 dxz Ryd( 6d) 0.00002 3.83825 87 As 2 dyz Cor( 3d) 1.99960 -1.50921 88 As 2 dyz Ryd( 4d) 0.00409 1.08572 89 As 2 dyz Ryd( 5d) 0.00078 1.70978 90 As 2 dyz Ryd( 6d) 0.00002 3.86835 91 As 2 dx2y2 Cor( 3d) 1.99937 -1.51158 92 As 2 dx2y2 Ryd( 4d) 0.00225 1.17914 93 As 2 dx2y2 Ryd( 5d) 0.00095 1.96581 94 As 2 dx2y2 Ryd( 6d) 0.00005 3.94527 95 As 2 dz2 Cor( 3d) 1.99971 -1.50767 96 As 2 dz2 Ryd( 4d) 0.00722 0.86172 97 As 2 dz2 Ryd( 5d) 0.00061 1.54040 98 As 2 dz2 Ryd( 6d) 0.00002 3.86503 99 Ge 3 S Cor( 1S) 2.00000 -394.07274 100 Ge 3 S Cor( 2S) 2.00000 -49.80999 101 Ge 3 S Cor( 3S) 1.99951 -8.09028 102 Ge 3 S Val( 4S) 1.86142 -0.47682 103 Ge 3 S Ryd( 5S) 0.01012 1.19003 104 Ge 3 S Ryd( 6S) 0.00002 11.81747 105 Ge 3 S Ryd( 7S) 0.00000 42.39047 106 Ge 3 S Ryd( 8S) 0.00000 837.03695 107 Ge 3 px Cor( 2p) 2.00000 -43.75156 108 Ge 3 px Cor( 3p) 1.99991 -4.33745 109 Ge 3 px Val( 4p) 0.43402 -0.03604 110 Ge 3 px Ryd( 5p) 0.01618 1.05738 111 Ge 3 px Ryd( 6p) 0.00027 1.93178 112 Ge 3 px Ryd( 7p) 0.00001 6.09127 113 Ge 3 px Ryd( 8p) 0.00000 221.06845 114 Ge 3 py Cor( 2p) 2.00000 -43.75301 115 Ge 3 py Cor( 3p) 1.99984 -4.34318 116 Ge 3 py Val( 4p) 0.33392 -0.05883 117 Ge 3 py Ryd( 5p) 0.00653 0.53530 118 Ge 3 py Ryd( 6p) 0.00017 1.79981 119 Ge 3 py Ryd( 7p) 0.00001 6.53491 120 Ge 3 py Ryd( 8p) 0.00000 221.07022 121 Ge 3 pz Cor( 2p) 2.00000 -43.75071 122 Ge 3 pz Cor( 3p) 1.99990 -4.33524 123 Ge 3 pz Val( 4p) 0.67606 -0.05362 124 Ge 3 pz Ryd( 5p) 0.02956 0.48002 125 Ge 3 pz Ryd( 6p) 0.00036 2.37981 126 Ge 3 pz Ryd( 7p) 0.00001 6.47015 127 Ge 3 pz Ryd( 8p) 0.00000 221.08009 128 Ge 3 dxy Cor( 3d) 1.99969 -1.10134 129 Ge 3 dxy Ryd( 4d) 0.00071 1.26875 130 Ge 3 dxy Ryd( 5d) 0.00101 1.76141 131 Ge 3 dxy Ryd( 6d) 0.00002 3.20754 132 Ge 3 dxz Cor( 3d) 1.99955 -1.09642 133 Ge 3 dxz Ryd( 4d) 0.00228 1.52125 134 Ge 3 dxz Ryd( 5d) 0.00049 1.57983 135 Ge 3 dxz Ryd( 6d) 0.00003 3.24958 136 Ge 3 dyz Cor( 3d) 1.99982 -1.09947 137 Ge 3 dyz Ryd( 4d) 0.00097 1.10847 138 Ge 3 dyz Ryd( 5d) 0.00043 1.36536 139 Ge 3 dyz Ryd( 6d) 0.00001 3.26597 140 Ge 3 dx2y2 Cor( 3d) 1.99976 -1.10164 141 Ge 3 dx2y2 Ryd( 5d) 0.00061 1.55102 142 Ge 3 dx2y2 Ryd( 4d) 0.00095 1.49591 143 Ge 3 dx2y2 Ryd( 6d) 0.00001 3.24107 144 Ge 3 dz2 Cor( 3d) 1.99977 -1.09676 145 Ge 3 dz2 Ryd( 4d) 0.00110 1.07129 146 Ge 3 dz2 Ryd( 5d) 0.00062 1.37481 147 Ge 3 dz2 Ryd( 6d) 0.00002 3.19551 148 C 4 S Cor( 1S) 1.99872 -9.77072 149 C 4 S Val( 2S) 0.96554 -0.17009 150 C 4 S Ryd( 3S) 0.00248 1.57645 151 C 4 S Ryd( 4S) 0.00001 22.99267 152 C 4 px Val( 2p) 1.16398 -0.09431 153 C 4 px Ryd( 3p) 0.00878 1.33941 154 C 4 px Ryd( 4p) 0.00012 3.25075 155 C 4 py Val( 2p) 1.09624 -0.07455 156 C 4 py Ryd( 3p) 0.00568 1.12673 157 C 4 py Ryd( 4p) 0.00009 3.15851 158 C 4 pz Val( 2p) 1.06679 -0.09584 159 C 4 pz Ryd( 3p) 0.00287 0.92661 160 C 4 pz Ryd( 4p) 0.00006 3.05532 161 C 4 dxy Ryd( 3d) 0.00086 1.78923 162 C 4 dxy Ryd( 4d) 0.00041 3.55162 163 C 4 dxz Ryd( 3d) 0.00081 1.45539 164 C 4 dxz Ryd( 4d) 0.00025 3.46565 165 C 4 dyz Ryd( 3d) 0.00123 1.73999 166 C 4 dyz Ryd( 4d) 0.00018 3.54382 167 C 4 dx2y2 Ryd( 3d) 0.00103 1.70125 168 C 4 dx2y2 Ryd( 4d) 0.00030 3.66605 169 C 4 dz2 Ryd( 3d) 0.00073 1.30528 170 C 4 dz2 Ryd( 4d) 0.00017 3.44032 171 C 5 S Cor( 1S) 1.99882 -9.76162 172 C 5 S Val( 2S) 0.86729 -0.10491 173 C 5 S Ryd( 3S) 0.00238 1.26944 174 C 5 S Ryd( 4S) 0.00002 21.75603 175 C 5 px Val( 2p) 1.06404 -0.03502 176 C 5 px Ryd( 3p) 0.00689 1.23779 177 C 5 px Ryd( 4p) 0.00012 3.63607 178 C 5 py Val( 2p) 1.06491 -0.06155 179 C 5 py Ryd( 3p) 0.00434 1.07246 180 C 5 py Ryd( 4p) 0.00011 3.47294 181 C 5 pz Val( 2p) 1.01173 -0.07973 182 C 5 pz Ryd( 3p) 0.00403 0.81345 183 C 5 pz Ryd( 4p) 0.00006 3.20110 184 C 5 dxy Ryd( 3d) 0.00055 2.06371 185 C 5 dxy Ryd( 4d) 0.00057 3.44245 186 C 5 dxz Ryd( 3d) 0.00047 1.79977 187 C 5 dxz Ryd( 4d) 0.00029 3.22878 188 C 5 dyz Ryd( 3d) 0.00078 1.94032 189 C 5 dyz Ryd( 4d) 0.00032 3.25685 190 C 5 dx2y2 Ryd( 3d) 0.00062 1.96827 191 C 5 dx2y2 Ryd( 4d) 0.00055 3.51925 192 C 5 dz2 Ryd( 3d) 0.00055 1.72782 193 C 5 dz2 Ryd( 4d) 0.00018 3.17285 194 C 6 S Cor( 1S) 1.99896 -9.74812 195 C 6 S Val( 2S) 0.93602 -0.13216 196 C 6 S Ryd( 3S) 0.00174 1.43597 197 C 6 S Ryd( 4S) 0.00002 21.11404 198 C 6 px Val( 2p) 1.07466 -0.03341 199 C 6 px Ryd( 3p) 0.00275 1.14665 200 C 6 px Ryd( 4p) 0.00019 3.36109 201 C 6 py Val( 2p) 1.12003 -0.05348 202 C 6 py Ryd( 3p) 0.00447 1.12115 203 C 6 py Ryd( 4p) 0.00009 3.05933 204 C 6 pz Val( 2p) 1.06192 -0.07771 205 C 6 pz Ryd( 3p) 0.00268 0.81863 206 C 6 pz Ryd( 4p) 0.00008 2.87018 207 C 6 dxy Ryd( 3d) 0.00056 2.00476 208 C 6 dxy Ryd( 4d) 0.00020 3.43235 209 C 6 dxz Ryd( 3d) 0.00045 1.71351 210 C 6 dxz Ryd( 4d) 0.00016 3.23827 211 C 6 dyz Ryd( 3d) 0.00100 1.65462 212 C 6 dyz Ryd( 4d) 0.00018 3.29619 213 C 6 dx2y2 Ryd( 3d) 0.00063 2.16788 214 C 6 dx2y2 Ryd( 4d) 0.00046 3.46690 215 C 6 dz2 Ryd( 3d) 0.00059 1.67467 216 C 6 dz2 Ryd( 4d) 0.00009 3.07695 217 H 7 S Val( 1S) 0.79910 0.05159 218 H 7 S Ryd( 2S) 0.00300 0.53378 219 H 7 S Ryd( 3S) 0.00024 2.27190 220 H 7 px Ryd( 2p) 0.00007 2.58616 221 H 7 py Ryd( 2p) 0.00026 2.58613 222 H 7 pz Ryd( 2p) 0.00027 2.21449 223 C 8 S Cor( 1S) 1.99906 -9.75350 224 C 8 S Val( 2S) 0.94316 -0.13841 225 C 8 S Ryd( 3S) 0.00130 1.48047 226 C 8 S Ryd( 4S) 0.00002 20.57209 227 C 8 px Val( 2p) 1.13407 -0.03034 228 C 8 px Ryd( 3p) 0.00552 1.33253 229 C 8 px Ryd( 4p) 0.00011 2.99752 230 C 8 py Val( 2p) 1.06021 -0.05123 231 C 8 py Ryd( 3p) 0.00319 1.01185 232 C 8 py Ryd( 4p) 0.00012 2.91068 233 C 8 pz Val( 2p) 1.02850 -0.07552 234 C 8 pz Ryd( 3p) 0.00207 0.81348 235 C 8 pz Ryd( 4p) 0.00012 2.75573 236 C 8 dxy Ryd( 3d) 0.00057 2.01858 237 C 8 dxy Ryd( 4d) 0.00041 3.30016 238 C 8 dxz Ryd( 3d) 0.00041 1.69775 239 C 8 dxz Ryd( 4d) 0.00023 3.06044 240 C 8 dyz Ryd( 3d) 0.00097 2.13481 241 C 8 dyz Ryd( 4d) 0.00014 3.22235 242 C 8 dx2y2 Ryd( 3d) 0.00061 2.02512 243 C 8 dx2y2 Ryd( 4d) 0.00022 3.34357 244 C 8 dz2 Ryd( 3d) 0.00056 1.66643 245 C 8 dz2 Ryd( 4d) 0.00009 3.00719 246 H 9 S Val( 1S) 0.80007 0.04731 247 H 9 S Ryd( 2S) 0.00188 0.50627 248 H 9 S Ryd( 3S) 0.00020 2.21594 249 H 9 px Ryd( 2p) 0.00021 2.72472 250 H 9 py Ryd( 2p) 0.00016 2.37513 251 H 9 pz Ryd( 2p) 0.00020 2.11074 252 C 10 S Cor( 1S) 1.99895 -9.74717 253 C 10 S Val( 2S) 0.93540 -0.13068 254 C 10 S Ryd( 3S) 0.00158 1.46648 255 C 10 S Ryd( 4S) 0.00002 21.12915 256 C 10 px Val( 2p) 1.15749 -0.03321 257 C 10 px Ryd( 3p) 0.00577 1.27277 258 C 10 px Ryd( 4p) 0.00011 3.18329 259 C 10 py Val( 2p) 1.06418 -0.05453 260 C 10 py Ryd( 3p) 0.00224 1.06663 261 C 10 py Ryd( 4p) 0.00011 3.13614 262 C 10 pz Val( 2p) 1.03935 -0.07639 263 C 10 pz Ryd( 3p) 0.00222 0.78470 264 C 10 pz Ryd( 4p) 0.00012 2.96063 265 C 10 dxy Ryd( 3d) 0.00056 1.89358 266 C 10 dxy Ryd( 4d) 0.00036 3.38219 267 C 10 dxz Ryd( 3d) 0.00044 1.63627 268 C 10 dxz Ryd( 4d) 0.00020 3.17286 269 C 10 dyz Ryd( 3d) 0.00102 2.14716 270 C 10 dyz Ryd( 4d) 0.00013 3.37073 271 C 10 dx2y2 Ryd( 3d) 0.00063 1.96008 272 C 10 dx2y2 Ryd( 4d) 0.00029 3.44878 273 C 10 dz2 Ryd( 3d) 0.00058 1.55180 274 C 10 dz2 Ryd( 4d) 0.00013 3.15053 275 H 11 S Val( 1S) 0.79646 0.05499 276 H 11 S Ryd( 2S) 0.00258 0.52968 277 H 11 S Ryd( 3S) 0.00027 2.25851 278 H 11 px Ryd( 2p) 0.00024 2.84501 279 H 11 py Ryd( 2p) 0.00016 2.39158 280 H 11 pz Ryd( 2p) 0.00020 2.14238 281 C 12 S Cor( 1S) 1.99883 -9.76240 282 C 12 S Val( 2S) 0.86808 -0.10727 283 C 12 S Ryd( 3S) 0.00190 1.27206 284 C 12 S Ryd( 4S) 0.00002 21.78637 285 C 12 px Val( 2p) 1.09065 -0.04597 286 C 12 px Ryd( 3p) 0.00434 1.17110 287 C 12 px Ryd( 4p) 0.00020 3.67791 288 C 12 py Val( 2p) 1.03908 -0.05800 289 C 12 py Ryd( 3p) 0.00592 1.04027 290 C 12 py Ryd( 4p) 0.00007 3.36274 291 C 12 pz Val( 2p) 1.00931 -0.07262 292 C 12 pz Ryd( 3p) 0.00528 0.89994 293 C 12 pz Ryd( 4p) 0.00004 3.23999 294 C 12 dxy Ryd( 3d) 0.00067 2.01926 295 C 12 dxy Ryd( 4d) 0.00036 3.47841 296 C 12 dxz Ryd( 3d) 0.00047 1.79266 297 C 12 dxz Ryd( 4d) 0.00033 3.23047 298 C 12 dyz Ryd( 3d) 0.00078 1.84388 299 C 12 dyz Ryd( 4d) 0.00027 3.33270 300 C 12 dx2y2 Ryd( 3d) 0.00052 2.11073 301 C 12 dx2y2 Ryd( 4d) 0.00069 3.30382 302 C 12 dz2 Ryd( 3d) 0.00056 1.81037 303 C 12 dz2 Ryd( 4d) 0.00024 3.17168 304 C 13 S Cor( 1S) 1.99912 -9.76879 305 C 13 S Val( 2S) 0.95284 -0.17368 306 C 13 S Ryd( 3S) 0.00143 1.22121 307 C 13 S Ryd( 4S) 0.00001 23.27818 308 C 13 px Val( 2p) 1.10831 -0.06198 309 C 13 px Ryd( 3p) 0.00252 0.78178 310 C 13 px Ryd( 4p) 0.00010 3.43888 311 C 13 py Val( 2p) 1.06546 -0.07344 312 C 13 py Ryd( 3p) 0.00432 0.91731 313 C 13 py Ryd( 4p) 0.00017 3.35896 314 C 13 pz Val( 2p) 1.08367 -0.07336 315 C 13 pz Ryd( 3p) 0.00301 0.82036 316 C 13 pz Ryd( 4p) 0.00020 3.30672 317 C 13 dxy Ryd( 3d) 0.00084 2.10460 318 C 13 dxy Ryd( 4d) 0.00021 2.90154 319 C 13 dxz Ryd( 3d) 0.00090 2.10898 320 C 13 dxz Ryd( 4d) 0.00018 2.83979 321 C 13 dyz Ryd( 3d) 0.00050 2.04268 322 C 13 dyz Ryd( 4d) 0.00031 2.71917 323 C 13 dx2y2 Ryd( 3d) 0.00073 2.11796 324 C 13 dx2y2 Ryd( 4d) 0.00020 3.09953 325 C 13 dz2 Ryd( 3d) 0.00086 2.07895 326 C 13 dz2 Ryd( 4d) 0.00009 3.11635 327 H 14 S Val( 1S) 0.77777 0.07724 328 H 14 S Ryd( 2S) 0.00750 0.96939 329 H 14 S Ryd( 3S) 0.00026 2.67802 330 H 14 px Ryd( 2p) 0.00016 2.76213 331 H 14 py Ryd( 2p) 0.00022 2.42815 332 H 14 pz Ryd( 2p) 0.00020 2.53130 333 C 15 S Cor( 1S) 1.99927 -9.74680 334 C 15 S Val( 2S) 1.08448 -0.21546 335 C 15 S Ryd( 3S) 0.00046 1.09503 336 C 15 S Ryd( 4S) 0.00001 23.17917 337 C 15 px Val( 2p) 1.20241 -0.06876 338 C 15 px Ryd( 3p) 0.00188 0.70563 339 C 15 px Ryd( 4p) 0.00007 3.15995 340 C 15 py Val( 2p) 1.06940 -0.06844 341 C 15 py Ryd( 3p) 0.00101 0.58041 342 C 15 py Ryd( 4p) 0.00013 3.08346 343 C 15 pz Val( 2p) 1.19533 -0.06865 344 C 15 pz Ryd( 3p) 0.00252 0.67513 345 C 15 pz Ryd( 4p) 0.00003 3.21642 346 C 15 dxy Ryd( 3d) 0.00072 1.58949 347 C 15 dxy Ryd( 4d) 0.00007 3.03105 348 C 15 dxz Ryd( 3d) 0.00081 1.60234 349 C 15 dxz Ryd( 4d) 0.00005 3.06671 350 C 15 dyz Ryd( 3d) 0.00052 1.58514 351 C 15 dyz Ryd( 4d) 0.00009 3.01228 352 C 15 dx2y2 Ryd( 3d) 0.00112 1.70132 353 C 15 dx2y2 Ryd( 4d) 0.00003 3.18713 354 C 15 dz2 Ryd( 3d) 0.00137 1.65770 355 C 15 dz2 Ryd( 4d) 0.00004 3.16992 356 H 16 S Val( 1S) 0.81104 0.03698 357 H 16 S Ryd( 2S) 0.00156 0.67310 358 H 16 S Ryd( 3S) 0.00018 2.00861 359 H 16 px Ryd( 2p) 0.00021 2.26440 360 H 16 py Ryd( 2p) 0.00022 2.32992 361 H 16 pz Ryd( 2p) 0.00013 2.22304 362 H 17 S Val( 1S) 0.79449 0.04897 363 H 17 S Ryd( 2S) 0.00190 0.57095 364 H 17 S Ryd( 3S) 0.00016 2.29820 365 H 17 px Ryd( 2p) 0.00016 2.66743 366 H 17 py Ryd( 2p) 0.00014 2.24904 367 H 17 pz Ryd( 2p) 0.00013 2.00503 368 H 18 S Val( 1S) 0.79899 0.04600 369 H 18 S Ryd( 2S) 0.00127 0.61628 370 H 18 S Ryd( 3S) 0.00016 2.11698 371 H 18 px Ryd( 2p) 0.00017 2.00881 372 H 18 py Ryd( 2p) 0.00018 2.16043 373 H 18 pz Ryd( 2p) 0.00024 2.70283 374 C 19 S Cor( 1S) 1.99929 -9.74864 375 C 19 S Val( 2S) 1.08130 -0.21242 376 C 19 S Ryd( 3S) 0.00074 1.10376 377 C 19 S Ryd( 4S) 0.00001 23.24090 378 C 19 px Val( 2p) 1.19595 -0.07082 379 C 19 px Ryd( 3p) 0.00184 0.79835 380 C 19 px Ryd( 4p) 0.00006 3.19580 381 C 19 py Val( 2p) 1.19640 -0.06573 382 C 19 py Ryd( 3p) 0.00266 0.71416 383 C 19 py Ryd( 4p) 0.00004 3.21819 384 C 19 pz Val( 2p) 1.07315 -0.06960 385 C 19 pz Ryd( 3p) 0.00118 0.60797 386 C 19 pz Ryd( 4p) 0.00015 3.13942 387 C 19 dxy Ryd( 3d) 0.00090 1.53882 388 C 19 dxy Ryd( 4d) 0.00005 3.10439 389 C 19 dxz Ryd( 3d) 0.00082 1.56420 390 C 19 dxz Ryd( 4d) 0.00007 3.12858 391 C 19 dyz Ryd( 3d) 0.00055 1.53464 392 C 19 dyz Ryd( 4d) 0.00006 3.07243 393 C 19 dx2y2 Ryd( 3d) 0.00122 1.61455 394 C 19 dx2y2 Ryd( 4d) 0.00004 3.21381 395 C 19 dz2 Ryd( 3d) 0.00129 1.68356 396 C 19 dz2 Ryd( 4d) 0.00010 3.26834 397 H 20 S Val( 1S) 0.79552 0.05898 398 H 20 S Ryd( 2S) 0.00220 1.26319 399 H 20 S Ryd( 3S) 0.00029 2.04263 400 H 20 px Ryd( 2p) 0.00016 2.00914 401 H 20 py Ryd( 2p) 0.00024 2.77945 402 H 20 pz Ryd( 2p) 0.00016 2.19336 403 H 21 S Val( 1S) 0.79608 0.04496 404 H 21 S Ryd( 2S) 0.00185 0.55947 405 H 21 S Ryd( 3S) 0.00021 2.34700 406 H 21 px Ryd( 2p) 0.00016 2.63210 407 H 21 py Ryd( 2p) 0.00013 2.12688 408 H 21 pz Ryd( 2p) 0.00015 2.19935 409 H 22 S Val( 1S) 0.80596 0.04001 410 H 22 S Ryd( 2S) 0.00175 0.61874 411 H 22 S Ryd( 3S) 0.00020 2.06496 412 H 22 px Ryd( 2p) 0.00021 2.34782 413 H 22 py Ryd( 2p) 0.00013 2.09882 414 H 22 pz Ryd( 2p) 0.00022 2.41455 415 C 23 S Cor( 1S) 1.99910 -9.76962 416 C 23 S Val( 2S) 0.95619 -0.17797 417 C 23 S Ryd( 3S) 0.00136 1.20133 418 C 23 S Ryd( 4S) 0.00001 23.25189 419 C 23 px Val( 2p) 1.12139 -0.07027 420 C 23 px Ryd( 3p) 0.00551 0.93793 421 C 23 px Ryd( 4p) 0.00013 3.31403 422 C 23 py Val( 2p) 1.09163 -0.06589 423 C 23 py Ryd( 3p) 0.00225 0.74933 424 C 23 py Ryd( 4p) 0.00015 3.34362 425 C 23 pz Val( 2p) 1.04225 -0.07316 426 C 23 pz Ryd( 3p) 0.00191 0.71981 427 C 23 pz Ryd( 4p) 0.00020 3.29421 428 C 23 dxy Ryd( 3d) 0.00109 2.10632 429 C 23 dxy Ryd( 4d) 0.00022 3.07913 430 C 23 dxz Ryd( 3d) 0.00022 1.99911 431 C 23 dxz Ryd( 4d) 0.00046 2.70122 432 C 23 dyz Ryd( 3d) 0.00085 2.05039 433 C 23 dyz Ryd( 4d) 0.00022 3.08018 434 C 23 dx2y2 Ryd( 3d) 0.00055 2.03581 435 C 23 dx2y2 Ryd( 4d) 0.00023 2.79182 436 C 23 dz2 Ryd( 3d) 0.00101 2.04536 437 C 23 dz2 Ryd( 4d) 0.00009 3.08643 438 H 24 S Val( 1S) 0.77780 0.07326 439 H 24 S Ryd( 2S) 0.00517 0.67592 440 H 24 S Ryd( 3S) 0.00020 2.51122 441 H 24 px Ryd( 2p) 0.00022 2.65479 442 H 24 py Ryd( 2p) 0.00017 2.63899 443 H 24 pz Ryd( 2p) 0.00017 2.32366 444 C 25 S Cor( 1S) 1.99928 -9.75026 445 C 25 S Val( 2S) 1.08358 -0.21904 446 C 25 S Ryd( 3S) 0.00042 1.05684 447 C 25 S Ryd( 4S) 0.00001 23.19561 448 C 25 px Val( 2p) 1.10531 -0.07090 449 C 25 px Ryd( 3p) 0.00090 0.53133 450 C 25 px Ryd( 4p) 0.00008 3.13923 451 C 25 py Val( 2p) 1.16471 -0.07480 452 C 25 py Ryd( 3p) 0.00188 0.62758 453 C 25 py Ryd( 4p) 0.00005 3.19149 454 C 25 pz Val( 2p) 1.20021 -0.07044 455 C 25 pz Ryd( 3p) 0.00286 0.66989 456 C 25 pz Ryd( 4p) 0.00001 3.24684 457 C 25 dxy Ryd( 3d) 0.00132 1.61973 458 C 25 dxy Ryd( 4d) 0.00003 3.20867 459 C 25 dxz Ryd( 3d) 0.00042 1.47487 460 C 25 dxz Ryd( 4d) 0.00008 2.95717 461 C 25 dyz Ryd( 3d) 0.00110 1.57633 462 C 25 dyz Ryd( 4d) 0.00006 3.17187 463 C 25 dx2y2 Ryd( 3d) 0.00053 1.52764 464 C 25 dx2y2 Ryd( 4d) 0.00011 3.03927 465 C 25 dz2 Ryd( 3d) 0.00133 1.60384 466 C 25 dz2 Ryd( 4d) 0.00004 3.19287 467 H 26 S Val( 1S) 0.80986 0.03356 468 H 26 S Ryd( 2S) 0.00172 0.66307 469 H 26 S Ryd( 3S) 0.00018 2.01815 470 H 26 px Ryd( 2p) 0.00025 2.58267 471 H 26 py Ryd( 2p) 0.00016 2.17998 472 H 26 pz Ryd( 2p) 0.00012 2.01029 473 H 27 S Val( 1S) 0.79858 0.03983 474 H 27 S Ryd( 2S) 0.00150 0.50241 475 H 27 S Ryd( 3S) 0.00015 2.11693 476 H 27 px Ryd( 2p) 0.00013 2.05328 477 H 27 py Ryd( 2p) 0.00022 2.59084 478 H 27 pz Ryd( 2p) 0.00015 2.18524 479 H 28 S Val( 1S) 0.79984 0.04429 480 H 28 S Ryd( 2S) 0.00107 0.83320 481 H 28 S Ryd( 3S) 0.00014 1.88937 482 H 28 px Ryd( 2p) 0.00014 2.06176 483 H 28 py Ryd( 2p) 0.00015 2.06247 484 H 28 pz Ryd( 2p) 0.00021 2.68837 485 C 29 S Cor( 1S) 1.99927 -9.74828 486 C 29 S Val( 2S) 1.08921 -0.21743 487 C 29 S Ryd( 3S) 0.00067 1.08563 488 C 29 S Ryd( 4S) 0.00001 23.22438 489 C 29 px Val( 2p) 1.20523 -0.06813 490 C 29 px Ryd( 3p) 0.00241 0.66537 491 C 29 px Ryd( 4p) 0.00007 3.20213 492 C 29 py Val( 2p) 1.18675 -0.06763 493 C 29 py Ryd( 3p) 0.00191 0.64705 494 C 29 py Ryd( 4p) 0.00006 3.18911 495 C 29 pz Val( 2p) 1.06892 -0.07114 496 C 29 pz Ryd( 3p) 0.00141 0.54683 497 C 29 pz Ryd( 4p) 0.00010 3.13472 498 C 29 dxy Ryd( 3d) 0.00134 1.68177 499 C 29 dxy Ryd( 4d) 0.00004 3.18750 500 C 29 dxz Ryd( 3d) 0.00029 1.52660 501 C 29 dxz Ryd( 4d) 0.00010 2.91586 502 C 29 dyz Ryd( 3d) 0.00099 1.68184 503 C 29 dyz Ryd( 4d) 0.00008 3.14623 504 C 29 dx2y2 Ryd( 3d) 0.00076 1.53963 505 C 29 dx2y2 Ryd( 4d) 0.00004 2.94473 506 C 29 dz2 Ryd( 3d) 0.00110 1.71659 507 C 29 dz2 Ryd( 4d) 0.00005 3.21636 508 H 30 S Val( 1S) 0.79195 0.05591 509 H 30 S Ryd( 2S) 0.00217 0.53959 510 H 30 S Ryd( 3S) 0.00027 2.25882 511 H 30 px Ryd( 2p) 0.00017 2.58072 512 H 30 py Ryd( 2p) 0.00016 2.15992 513 H 30 pz Ryd( 2p) 0.00014 2.15342 514 H 31 S Val( 1S) 0.80495 0.03858 515 H 31 S Ryd( 2S) 0.00192 0.52245 516 H 31 S Ryd( 3S) 0.00017 2.19566 517 H 31 px Ryd( 2p) 0.00014 1.95847 518 H 31 py Ryd( 2p) 0.00018 2.44648 519 H 31 pz Ryd( 2p) 0.00023 2.44134 520 H 32 S Val( 1S) 0.80545 0.04073 521 H 32 S Ryd( 2S) 0.00207 0.53468 522 H 32 S Ryd( 3S) 0.00020 2.09383 523 H 32 px Ryd( 2p) 0.00021 2.38642 524 H 32 py Ryd( 2p) 0.00019 2.28543 525 H 32 pz Ryd( 2p) 0.00016 2.12184 526 C 33 S Cor( 1S) 1.99865 -9.78649 527 C 33 S Val( 2S) 0.97595 -0.19802 528 C 33 S Ryd( 3S) 0.00402 1.58310 529 C 33 S Ryd( 4S) 0.00001 23.18237 530 C 33 px Val( 2p) 1.08916 -0.11747 531 C 33 px Ryd( 3p) 0.00306 0.83851 532 C 33 px Ryd( 4p) 0.00003 2.96490 533 C 33 py Val( 2p) 1.20516 -0.13723 534 C 33 py Ryd( 3p) 0.01083 1.32236 535 C 33 py Ryd( 4p) 0.00008 3.12779 536 C 33 pz Val( 2p) 1.08897 -0.08034 537 C 33 pz Ryd( 3p) 0.00440 1.21034 538 C 33 pz Ryd( 4p) 0.00009 3.01187 539 C 33 dxy Ryd( 3d) 0.00099 1.32879 540 C 33 dxy Ryd( 4d) 0.00019 3.47757 541 C 33 dxz Ryd( 3d) 0.00099 1.67029 542 C 33 dxz Ryd( 4d) 0.00018 3.47211 543 C 33 dyz Ryd( 3d) 0.00135 1.69835 544 C 33 dyz Ryd( 4d) 0.00031 3.65400 545 C 33 dx2y2 Ryd( 3d) 0.00143 1.33883 546 C 33 dx2y2 Ryd( 4d) 0.00020 3.52676 547 C 33 dz2 Ryd( 3d) 0.00077 1.67758 548 C 33 dz2 Ryd( 4d) 0.00029 3.54360 549 C 34 S Cor( 1S) 1.99872 -9.77406 550 C 34 S Val( 2S) 0.87043 -0.12146 551 C 34 S Ryd( 3S) 0.00280 1.28077 552 C 34 S Ryd( 4S) 0.00002 22.14588 553 C 34 px Val( 2p) 0.98403 -0.09738 554 C 34 px Ryd( 3p) 0.00523 0.76758 555 C 34 px Ryd( 4p) 0.00003 3.11851 556 C 34 py Val( 2p) 1.07167 -0.04985 557 C 34 py Ryd( 3p) 0.00787 1.14492 558 C 34 py Ryd( 4p) 0.00014 3.58112 559 C 34 pz Val( 2p) 1.07250 -0.06930 560 C 34 pz Ryd( 3p) 0.00571 1.13023 561 C 34 pz Ryd( 4p) 0.00010 3.43793 562 C 34 dxy Ryd( 3d) 0.00043 1.66903 563 C 34 dxy Ryd( 4d) 0.00027 3.08467 564 C 34 dxz Ryd( 3d) 0.00066 1.74171 565 C 34 dxz Ryd( 4d) 0.00023 3.25567 566 C 34 dyz Ryd( 3d) 0.00052 2.11395 567 C 34 dyz Ryd( 4d) 0.00073 3.41130 568 C 34 dx2y2 Ryd( 3d) 0.00086 2.08368 569 C 34 dx2y2 Ryd( 4d) 0.00033 3.38503 570 C 34 dz2 Ryd( 3d) 0.00067 1.84800 571 C 34 dz2 Ryd( 4d) 0.00035 3.42351 572 C 35 S Cor( 1S) 1.99894 -9.75687 573 C 35 S Val( 2S) 0.93453 -0.14082 574 C 35 S Ryd( 3S) 0.00182 1.43167 575 C 35 S Ryd( 4S) 0.00003 21.20143 576 C 35 px Val( 2p) 1.03661 -0.09574 577 C 35 px Ryd( 3p) 0.00206 0.73079 578 C 35 px Ryd( 4p) 0.00007 2.87517 579 C 35 py Val( 2p) 1.08351 -0.04603 580 C 35 py Ryd( 3p) 0.00326 1.08741 581 C 35 py Ryd( 4p) 0.00017 3.36999 582 C 35 pz Val( 2p) 1.14063 -0.05571 583 C 35 pz Ryd( 3p) 0.00533 1.21170 584 C 35 pz Ryd( 4p) 0.00008 3.14898 585 C 35 dxy Ryd( 3d) 0.00044 1.67049 586 C 35 dxy Ryd( 4d) 0.00016 3.21416 587 C 35 dxz Ryd( 3d) 0.00078 1.60910 588 C 35 dxz Ryd( 4d) 0.00011 3.19975 589 C 35 dyz Ryd( 3d) 0.00065 2.14915 590 C 35 dyz Ryd( 4d) 0.00030 3.54052 591 C 35 dx2y2 Ryd( 3d) 0.00087 1.97272 592 C 35 dx2y2 Ryd( 4d) 0.00025 3.34423 593 C 35 dz2 Ryd( 3d) 0.00055 1.67409 594 C 35 dz2 Ryd( 4d) 0.00032 3.28041 595 H 36 S Val( 1S) 0.79490 0.04495 596 H 36 S Ryd( 2S) 0.00302 0.53109 597 H 36 S Ryd( 3S) 0.00025 2.28680 598 H 36 px Ryd( 2p) 0.00026 2.07630 599 H 36 py Ryd( 2p) 0.00009 2.61057 600 H 36 pz Ryd( 2p) 0.00025 2.70798 601 C 37 S Cor( 1S) 1.99905 -9.76562 602 C 37 S Val( 2S) 0.94464 -0.15045 603 C 37 S Ryd( 3S) 0.00132 1.45506 604 C 37 S Ryd( 4S) 0.00002 20.54896 605 C 37 px Val( 2p) 0.99471 -0.09541 606 C 37 px Ryd( 3p) 0.00163 0.71840 607 C 37 px Ryd( 4p) 0.00012 2.76356 608 C 37 py Val( 2p) 1.15990 -0.04216 609 C 37 py Ryd( 3p) 0.00617 1.39703 610 C 37 py Ryd( 4p) 0.00010 2.94991 611 C 37 pz Val( 2p) 1.05429 -0.05256 612 C 37 pz Ryd( 3p) 0.00319 1.01318 613 C 37 pz Ryd( 4p) 0.00013 3.01075 614 C 37 dxy Ryd( 3d) 0.00038 1.60701 615 C 37 dxy Ryd( 4d) 0.00009 2.96260 616 C 37 dxz Ryd( 3d) 0.00077 2.04009 617 C 37 dxz Ryd( 4d) 0.00019 3.14633 618 C 37 dyz Ryd( 3d) 0.00062 2.07519 619 C 37 dyz Ryd( 4d) 0.00029 3.38936 620 C 37 dx2y2 Ryd( 3d) 0.00087 1.74257 621 C 37 dx2y2 Ryd( 4d) 0.00021 3.28301 622 C 37 dz2 Ryd( 3d) 0.00055 1.95603 623 C 37 dz2 Ryd( 4d) 0.00031 3.22559 624 H 38 S Val( 1S) 0.79686 0.03957 625 H 38 S Ryd( 2S) 0.00199 0.52058 626 H 38 S Ryd( 3S) 0.00022 2.22220 627 H 38 px Ryd( 2p) 0.00020 1.99649 628 H 38 py Ryd( 2p) 0.00028 2.80554 629 H 38 pz Ryd( 2p) 0.00011 2.42225 630 C 39 S Cor( 1S) 1.99894 -9.75660 631 C 39 S Val( 2S) 0.93571 -0.14050 632 C 39 S Ryd( 3S) 0.00170 1.46119 633 C 39 S Ryd( 4S) 0.00002 21.15975 634 C 39 px Val( 2p) 1.03925 -0.09418 635 C 39 px Ryd( 3p) 0.00184 0.77973 636 C 39 px Ryd( 4p) 0.00006 2.90382 637 C 39 py Val( 2p) 1.13036 -0.04569 638 C 39 py Ryd( 3p) 0.00485 1.14673 639 C 39 py Ryd( 4p) 0.00014 3.28007 640 C 39 pz Val( 2p) 1.09431 -0.05635 641 C 39 pz Ryd( 3p) 0.00383 1.13159 642 C 39 pz Ryd( 4p) 0.00012 3.27651 643 C 39 dxy Ryd( 3d) 0.00050 1.51957 644 C 39 dxy Ryd( 4d) 0.00017 3.18618 645 C 39 dxz Ryd( 3d) 0.00080 1.74461 646 C 39 dxz Ryd( 4d) 0.00007 3.28552 647 C 39 dyz Ryd( 3d) 0.00061 2.03563 648 C 39 dyz Ryd( 4d) 0.00055 3.53603 649 C 39 dx2y2 Ryd( 3d) 0.00086 1.81162 650 C 39 dx2y2 Ryd( 4d) 0.00018 3.33931 651 C 39 dz2 Ryd( 3d) 0.00056 1.86446 652 C 39 dz2 Ryd( 4d) 0.00017 3.35896 653 H 40 S Val( 1S) 0.79251 0.04797 654 H 40 S Ryd( 2S) 0.00284 0.53465 655 H 40 S Ryd( 3S) 0.00024 2.31214 656 H 40 px Ryd( 2p) 0.00025 2.08756 657 H 40 py Ryd( 2p) 0.00018 2.76195 658 H 40 pz Ryd( 2p) 0.00018 2.57143 659 C 41 S Cor( 1S) 1.99877 -9.77114 660 C 41 S Val( 2S) 0.86774 -0.11643 661 C 41 S Ryd( 3S) 0.00252 1.27327 662 C 41 S Ryd( 4S) 0.00002 21.96970 663 C 41 px Val( 2p) 0.98930 -0.09454 664 C 41 px Ryd( 3p) 0.00549 0.75766 665 C 41 px Ryd( 4p) 0.00003 3.11284 666 C 41 py Val( 2p) 1.08552 -0.05531 667 C 41 py Ryd( 3p) 0.00590 1.17071 668 C 41 py Ryd( 4p) 0.00020 3.64406 669 C 41 pz Val( 2p) 1.04878 -0.06167 670 C 41 pz Ryd( 3p) 0.00777 1.12297 671 C 41 pz Ryd( 4p) 0.00008 3.45961 672 C 41 dxy Ryd( 3d) 0.00048 1.74170 673 C 41 dxy Ryd( 4d) 0.00025 3.04597 674 C 41 dxz Ryd( 3d) 0.00072 1.78440 675 C 41 dxz Ryd( 4d) 0.00024 3.22634 676 C 41 dyz Ryd( 3d) 0.00062 1.98554 677 C 41 dyz Ryd( 4d) 0.00059 3.45803 678 C 41 dx2y2 Ryd( 3d) 0.00073 2.22975 679 C 41 dx2y2 Ryd( 4d) 0.00045 3.26805 680 C 41 dz2 Ryd( 3d) 0.00056 1.89898 681 C 41 dz2 Ryd( 4d) 0.00038 3.34780 682 C 42 S Cor( 1S) 1.99908 -9.76841 683 C 42 S Val( 2S) 0.94939 -0.17421 684 C 42 S Ryd( 3S) 0.00119 1.21587 685 C 42 S Ryd( 4S) 0.00001 23.28040 686 C 42 px Val( 2p) 1.04784 -0.07771 687 C 42 px Ryd( 3p) 0.00347 0.81215 688 C 42 px Ryd( 4p) 0.00020 3.34818 689 C 42 py Val( 2p) 1.16674 -0.06489 690 C 42 py Ryd( 3p) 0.00385 0.80509 691 C 42 py Ryd( 4p) 0.00013 3.43662 692 C 42 pz Val( 2p) 1.05535 -0.07358 693 C 42 pz Ryd( 3p) 0.00450 0.86553 694 C 42 pz Ryd( 4p) 0.00020 3.38797 695 C 42 dxy Ryd( 3d) 0.00047 2.08293 696 C 42 dxy Ryd( 4d) 0.00025 2.63528 697 C 42 dxz Ryd( 3d) 0.00060 2.07309 698 C 42 dxz Ryd( 4d) 0.00027 2.88824 699 C 42 dyz Ryd( 3d) 0.00102 2.15831 700 C 42 dyz Ryd( 4d) 0.00017 2.92440 701 C 42 dx2y2 Ryd( 3d) 0.00107 2.18486 702 C 42 dx2y2 Ryd( 4d) 0.00013 3.10858 703 C 42 dz2 Ryd( 3d) 0.00056 2.11731 704 C 42 dz2 Ryd( 4d) 0.00031 2.90810 705 H 43 S Val( 1S) 0.76215 0.09039 706 H 43 S Ryd( 2S) 0.00644 0.91300 707 H 43 S Ryd( 3S) 0.00020 2.65365 708 H 43 px Ryd( 2p) 0.00020 2.36400 709 H 43 py Ryd( 2p) 0.00019 2.99395 710 H 43 pz Ryd( 2p) 0.00018 2.45426 711 C 44 S Cor( 1S) 1.99925 -9.74666 712 C 44 S Val( 2S) 1.08220 -0.21209 713 C 44 S Ryd( 3S) 0.00065 1.10597 714 C 44 S Ryd( 4S) 0.00001 23.21783 715 C 44 px Val( 2p) 1.06555 -0.06807 716 C 44 px Ryd( 3p) 0.00141 0.59677 717 C 44 px Ryd( 4p) 0.00013 3.10828 718 C 44 py Val( 2p) 1.19130 -0.06913 719 C 44 py Ryd( 3p) 0.00198 0.66317 720 C 44 py Ryd( 4p) 0.00006 3.23050 721 C 44 pz Val( 2p) 1.20445 -0.06640 722 C 44 pz Ryd( 3p) 0.00276 0.65543 723 C 44 pz Ryd( 4p) 0.00006 3.23532 724 C 44 dxy Ryd( 3d) 0.00030 1.55825 725 C 44 dxy Ryd( 4d) 0.00014 2.93033 726 C 44 dxz Ryd( 3d) 0.00081 1.66392 727 C 44 dxz Ryd( 4d) 0.00009 3.14988 728 C 44 dyz Ryd( 3d) 0.00112 1.62972 729 C 44 dyz Ryd( 4d) 0.00003 3.11838 730 C 44 dx2y2 Ryd( 3d) 0.00135 1.72643 731 C 44 dx2y2 Ryd( 4d) 0.00002 3.25152 732 C 44 dz2 Ryd( 3d) 0.00084 1.63193 733 C 44 dz2 Ryd( 4d) 0.00004 3.06133 734 H 45 S Val( 1S) 0.81150 0.03517 735 H 45 S Ryd( 2S) 0.00163 0.62572 736 H 45 S Ryd( 3S) 0.00020 2.03566 737 H 45 px Ryd( 2p) 0.00018 2.15024 738 H 45 py Ryd( 2p) 0.00022 2.61863 739 H 45 pz Ryd( 2p) 0.00014 2.06566 740 H 46 S Val( 1S) 0.79923 0.04295 741 H 46 S Ryd( 2S) 0.00166 0.50675 742 H 46 S Ryd( 3S) 0.00017 2.18816 743 H 46 px Ryd( 2p) 0.00019 2.24035 744 H 46 py Ryd( 2p) 0.00016 2.32924 745 H 46 pz Ryd( 2p) 0.00019 2.31563 746 H 47 S Val( 1S) 0.79300 0.06107 747 H 47 S Ryd( 2S) 0.00259 0.78178 748 H 47 S Ryd( 3S) 0.00024 2.42530 749 H 47 px Ryd( 2p) 0.00015 2.34430 750 H 47 py Ryd( 2p) 0.00015 2.02627 751 H 47 pz Ryd( 2p) 0.00017 2.62742 752 C 48 S Cor( 1S) 1.99930 -9.74990 753 C 48 S Val( 2S) 1.08253 -0.21513 754 C 48 S Ryd( 3S) 0.00074 1.13170 755 C 48 S Ryd( 4S) 0.00001 23.19611 756 C 48 px Val( 2p) 1.17302 -0.06579 757 C 48 px Ryd( 3p) 0.00265 0.66678 758 C 48 px Ryd( 4p) 0.00003 3.25705 759 C 48 py Val( 2p) 1.19704 -0.07280 760 C 48 py Ryd( 3p) 0.00204 0.71300 761 C 48 py Ryd( 4p) 0.00004 3.21946 762 C 48 pz Val( 2p) 1.09232 -0.07197 763 C 48 pz Ryd( 3p) 0.00136 0.57398 764 C 48 pz Ryd( 4p) 0.00010 3.20750 765 C 48 dxy Ryd( 3d) 0.00056 1.47336 766 C 48 dxy Ryd( 4d) 0.00006 2.99595 767 C 48 dxz Ryd( 3d) 0.00089 1.56411 768 C 48 dxz Ryd( 4d) 0.00004 3.12007 769 C 48 dyz Ryd( 3d) 0.00084 1.59143 770 C 48 dyz Ryd( 4d) 0.00011 3.19206 771 C 48 dx2y2 Ryd( 3d) 0.00133 1.64942 772 C 48 dx2y2 Ryd( 4d) 0.00004 3.28485 773 C 48 dz2 Ryd( 3d) 0.00109 1.57176 774 C 48 dz2 Ryd( 4d) 0.00008 3.16662 775 H 49 S Val( 1S) 0.79107 0.06229 776 H 49 S Ryd( 2S) 0.00166 1.21555 777 H 49 S Ryd( 3S) 0.00017 2.13272 778 H 49 px Ryd( 2p) 0.00025 2.81567 779 H 49 py Ryd( 2p) 0.00015 1.98126 780 H 49 pz Ryd( 2p) 0.00014 2.11655 781 H 50 S Val( 1S) 0.79997 0.03970 782 H 50 S Ryd( 2S) 0.00170 0.50497 783 H 50 S Ryd( 3S) 0.00018 2.20067 784 H 50 px Ryd( 2p) 0.00015 2.08460 785 H 50 py Ryd( 2p) 0.00017 2.35629 786 H 50 pz Ryd( 2p) 0.00021 2.44442 787 H 51 S Val( 1S) 0.80940 0.03663 788 H 51 S Ryd( 2S) 0.00145 0.68920 789 H 51 S Ryd( 3S) 0.00020 2.01395 790 H 51 px Ryd( 2p) 0.00013 1.99713 791 H 51 py Ryd( 2p) 0.00022 2.58707 792 H 51 pz Ryd( 2p) 0.00018 2.25335 793 C 52 S Cor( 1S) 1.99911 -9.77033 794 C 52 S Val( 2S) 0.95258 -0.17671 795 C 52 S Ryd( 3S) 0.00134 1.19539 796 C 52 S Ryd( 4S) 0.00001 23.24747 797 C 52 px Val( 2p) 1.04946 -0.07743 798 C 52 px Ryd( 3p) 0.00245 0.83825 799 C 52 px Ryd( 4p) 0.00019 3.31595 800 C 52 py Val( 2p) 1.17449 -0.07011 801 C 52 py Ryd( 3p) 0.00560 0.83873 802 C 52 py Ryd( 4p) 0.00012 3.35767 803 C 52 pz Val( 2p) 1.03556 -0.07069 804 C 52 pz Ryd( 3p) 0.00276 0.77501 805 C 52 pz Ryd( 4p) 0.00019 3.35542 806 C 52 dxy Ryd( 3d) 0.00063 2.08538 807 C 52 dxy Ryd( 4d) 0.00018 2.82343 808 C 52 dxz Ryd( 3d) 0.00083 2.07890 809 C 52 dxz Ryd( 4d) 0.00020 3.14196 810 C 52 dyz Ryd( 3d) 0.00022 2.08272 811 C 52 dyz Ryd( 4d) 0.00037 2.71270 812 C 52 dx2y2 Ryd( 3d) 0.00099 2.12470 813 C 52 dx2y2 Ryd( 4d) 0.00020 2.85942 814 C 52 dz2 Ryd( 3d) 0.00100 2.12316 815 C 52 dz2 Ryd( 4d) 0.00025 3.02317 816 H 53 S Val( 1S) 0.77163 0.07951 817 H 53 S Ryd( 2S) 0.00427 0.75713 818 H 53 S Ryd( 3S) 0.00030 2.44328 819 H 53 px Ryd( 2p) 0.00022 2.34544 820 H 53 py Ryd( 2p) 0.00023 2.93635 821 H 53 pz Ryd( 2p) 0.00014 2.36564 822 C 54 S Cor( 1S) 1.99927 -9.75051 823 C 54 S Val( 2S) 1.08122 -0.21638 824 C 54 S Ryd( 3S) 0.00048 1.10971 825 C 54 S Ryd( 4S) 0.00001 23.16092 826 C 54 px Val( 2p) 1.10698 -0.07188 827 C 54 px Ryd( 3p) 0.00161 0.63560 828 C 54 px Ryd( 4p) 0.00011 3.07425 829 C 54 py Val( 2p) 1.16384 -0.07117 830 C 54 py Ryd( 3p) 0.00126 0.67006 831 C 54 py Ryd( 4p) 0.00007 3.16046 832 C 54 pz Val( 2p) 1.20108 -0.07212 833 C 54 pz Ryd( 3p) 0.00291 0.66991 834 C 54 pz Ryd( 4p) 0.00004 3.26306 835 C 54 dxy Ryd( 3d) 0.00075 1.62392 836 C 54 dxy Ryd( 4d) 0.00007 3.07107 837 C 54 dxz Ryd( 3d) 0.00120 1.69318 838 C 54 dxz Ryd( 4d) 0.00007 3.23194 839 C 54 dyz Ryd( 3d) 0.00057 1.52716 840 C 54 dyz Ryd( 4d) 0.00005 2.94478 841 C 54 dx2y2 Ryd( 3d) 0.00101 1.64294 842 C 54 dx2y2 Ryd( 4d) 0.00007 3.14642 843 C 54 dz2 Ryd( 3d) 0.00095 1.64199 844 C 54 dz2 Ryd( 4d) 0.00004 3.12673 845 H 55 S Val( 1S) 0.81059 0.03372 846 H 55 S Ryd( 2S) 0.00153 0.67354 847 H 55 S Ryd( 3S) 0.00020 2.03748 848 H 55 px Ryd( 2p) 0.00018 2.07186 849 H 55 py Ryd( 2p) 0.00025 2.78262 850 H 55 pz Ryd( 2p) 0.00014 1.96843 851 H 56 S Val( 1S) 0.79573 0.04136 852 H 56 S Ryd( 2S) 0.00150 0.50280 853 H 56 S Ryd( 3S) 0.00017 2.16419 854 H 56 px Ryd( 2p) 0.00018 2.22828 855 H 56 py Ryd( 2p) 0.00012 2.09048 856 H 56 pz Ryd( 2p) 0.00023 2.57884 857 H 57 S Val( 1S) 0.79471 0.05191 858 H 57 S Ryd( 2S) 0.00205 0.74176 859 H 57 S Ryd( 3S) 0.00026 2.42944 860 H 57 px Ryd( 2p) 0.00017 2.49962 861 H 57 py Ryd( 2p) 0.00015 2.00726 862 H 57 pz Ryd( 2p) 0.00015 2.42176 863 C 58 S Cor( 1S) 1.99925 -9.75129 864 C 58 S Val( 2S) 1.08646 -0.21829 865 C 58 S Ryd( 3S) 0.00058 1.08451 866 C 58 S Ryd( 4S) 0.00001 23.20930 867 C 58 px Val( 2p) 1.13686 -0.06865 868 C 58 px Ryd( 3p) 0.00189 0.60854 869 C 58 px Ryd( 4p) 0.00006 3.19496 870 C 58 py Val( 2p) 1.19145 -0.07090 871 C 58 py Ryd( 3p) 0.00171 0.60459 872 C 58 py Ryd( 4p) 0.00003 3.18170 873 C 58 pz Val( 2p) 1.12676 -0.07280 874 C 58 pz Ryd( 3p) 0.00182 0.60662 875 C 58 pz Ryd( 4p) 0.00006 3.20127 876 C 58 dxy Ryd( 3d) 0.00097 1.57939 877 C 58 dxy Ryd( 4d) 0.00007 3.13701 878 C 58 dxz Ryd( 3d) 0.00134 1.64049 879 C 58 dxz Ryd( 4d) 0.00003 3.21728 880 C 58 dyz Ryd( 3d) 0.00036 1.46636 881 C 58 dyz Ryd( 4d) 0.00007 2.96452 882 C 58 dx2y2 Ryd( 3d) 0.00101 1.57280 883 C 58 dx2y2 Ryd( 4d) 0.00006 3.12058 884 C 58 dz2 Ryd( 3d) 0.00103 1.61511 885 C 58 dz2 Ryd( 4d) 0.00008 3.23202 886 H 59 S Val( 1S) 0.79516 0.05249 887 H 59 S Ryd( 2S) 0.00160 1.03658 888 H 59 S Ryd( 3S) 0.00029 1.89039 889 H 59 px Ryd( 2p) 0.00016 2.56381 890 H 59 py Ryd( 2p) 0.00015 2.21804 891 H 59 pz Ryd( 2p) 0.00014 2.06400 892 H 60 S Val( 1S) 0.80308 0.03742 893 H 60 S Ryd( 2S) 0.00166 0.49826 894 H 60 S Ryd( 3S) 0.00013 2.12162 895 H 60 px Ryd( 2p) 0.00015 2.12836 896 H 60 py Ryd( 2p) 0.00011 1.99698 897 H 60 pz Ryd( 2p) 0.00026 2.70455 898 H 61 S Val( 1S) 0.80894 0.03487 899 H 61 S Ryd( 2S) 0.00185 0.58799 900 H 61 S Ryd( 3S) 0.00016 2.06648 901 H 61 px Ryd( 2p) 0.00015 2.05621 902 H 61 py Ryd( 2p) 0.00023 2.69302 903 H 61 pz Ryd( 2p) 0.00013 2.03740 904 C 62 S Cor( 1S) 1.99871 -9.76869 905 C 62 S Val( 2S) 0.96420 -0.16748 906 C 62 S Ryd( 3S) 0.00261 1.59566 907 C 62 S Ryd( 4S) 0.00001 22.91561 908 C 62 px Val( 2p) 1.17108 -0.09579 909 C 62 px Ryd( 3p) 0.00920 1.35059 910 C 62 px Ryd( 4p) 0.00012 3.30832 911 C 62 py Val( 2p) 1.09002 -0.07134 912 C 62 py Ryd( 3p) 0.00522 1.14050 913 C 62 py Ryd( 4p) 0.00010 3.16068 914 C 62 pz Val( 2p) 1.06278 -0.09338 915 C 62 pz Ryd( 3p) 0.00302 0.93009 916 C 62 pz Ryd( 4p) 0.00006 3.08423 917 C 62 dxy Ryd( 3d) 0.00096 1.76685 918 C 62 dxy Ryd( 4d) 0.00041 3.55067 919 C 62 dxz Ryd( 3d) 0.00079 1.43537 920 C 62 dxz Ryd( 4d) 0.00025 3.46936 921 C 62 dyz Ryd( 3d) 0.00120 1.79031 922 C 62 dyz Ryd( 4d) 0.00018 3.53603 923 C 62 dx2y2 Ryd( 3d) 0.00099 1.69834 924 C 62 dx2y2 Ryd( 4d) 0.00032 3.65281 925 C 62 dz2 Ryd( 3d) 0.00079 1.28527 926 C 62 dz2 Ryd( 4d) 0.00018 3.43433 927 C 63 S Cor( 1S) 1.99882 -9.76081 928 C 63 S Val( 2S) 0.86671 -0.10402 929 C 63 S Ryd( 3S) 0.00235 1.27235 930 C 63 S Ryd( 4S) 0.00002 21.71810 931 C 63 px Val( 2p) 1.06456 -0.03483 932 C 63 px Ryd( 3p) 0.00666 1.23757 933 C 63 px Ryd( 4p) 0.00013 3.64846 934 C 63 py Val( 2p) 1.06404 -0.06047 935 C 63 py Ryd( 3p) 0.00448 1.08631 936 C 63 py Ryd( 4p) 0.00011 3.46190 937 C 63 pz Val( 2p) 1.01308 -0.07871 938 C 63 pz Ryd( 3p) 0.00417 0.82046 939 C 63 pz Ryd( 4p) 0.00006 3.20849 940 C 63 dxy Ryd( 3d) 0.00055 2.04990 941 C 63 dxy Ryd( 4d) 0.00058 3.41352 942 C 63 dxz Ryd( 3d) 0.00046 1.83673 943 C 63 dxz Ryd( 4d) 0.00031 3.20204 944 C 63 dyz Ryd( 3d) 0.00076 1.94941 945 C 63 dyz Ryd( 4d) 0.00031 3.25444 946 C 63 dx2y2 Ryd( 3d) 0.00064 1.99632 947 C 63 dx2y2 Ryd( 4d) 0.00053 3.52780 948 C 63 dz2 Ryd( 3d) 0.00055 1.74628 949 C 63 dz2 Ryd( 4d) 0.00018 3.15728 950 C 64 S Cor( 1S) 1.99896 -9.74866 951 C 64 S Val( 2S) 0.93624 -0.13248 952 C 64 S Ryd( 3S) 0.00169 1.44140 953 C 64 S Ryd( 4S) 0.00002 21.11670 954 C 64 px Val( 2p) 1.07378 -0.03349 955 C 64 px Ryd( 3p) 0.00272 1.12440 956 C 64 px Ryd( 4p) 0.00019 3.36925 957 C 64 py Val( 2p) 1.11883 -0.05389 958 C 64 py Ryd( 3p) 0.00443 1.12430 959 C 64 py Ryd( 4p) 0.00008 3.06302 960 C 64 pz Val( 2p) 1.06324 -0.07722 961 C 64 pz Ryd( 3p) 0.00270 0.82434 962 C 64 pz Ryd( 4p) 0.00008 2.87949 963 C 64 dxy Ryd( 3d) 0.00056 2.02187 964 C 64 dxy Ryd( 4d) 0.00019 3.45077 965 C 64 dxz Ryd( 3d) 0.00045 1.71333 966 C 64 dxz Ryd( 4d) 0.00016 3.24819 967 C 64 dyz Ryd( 3d) 0.00100 1.65068 968 C 64 dyz Ryd( 4d) 0.00018 3.30868 969 C 64 dx2y2 Ryd( 3d) 0.00062 2.13215 970 C 64 dx2y2 Ryd( 4d) 0.00048 3.45698 971 C 64 dz2 Ryd( 3d) 0.00057 1.66136 972 C 64 dz2 Ryd( 4d) 0.00009 3.07950 973 H 65 S Val( 1S) 0.79946 0.05094 974 H 65 S Ryd( 2S) 0.00301 0.53226 975 H 65 S Ryd( 3S) 0.00024 2.27475 976 H 65 px Ryd( 2p) 0.00007 2.58395 977 H 65 py Ryd( 2p) 0.00026 2.58011 978 H 65 pz Ryd( 2p) 0.00027 2.22245 979 C 66 S Cor( 1S) 1.99906 -9.75376 980 C 66 S Val( 2S) 0.94314 -0.13846 981 C 66 S Ryd( 3S) 0.00133 1.45687 982 C 66 S Ryd( 4S) 0.00002 20.59344 983 C 66 px Val( 2p) 1.13811 -0.03069 984 C 66 px Ryd( 3p) 0.00577 1.33983 985 C 66 px Ryd( 4p) 0.00010 2.98632 986 C 66 py Val( 2p) 1.05523 -0.05268 987 C 66 py Ryd( 3p) 0.00301 0.98055 988 C 66 py Ryd( 4p) 0.00012 2.94063 989 C 66 pz Val( 2p) 1.03134 -0.07464 990 C 66 pz Ryd( 3p) 0.00209 0.81518 991 C 66 pz Ryd( 4p) 0.00012 2.76765 992 C 66 dxy Ryd( 3d) 0.00057 2.01863 993 C 66 dxy Ryd( 4d) 0.00037 3.28366 994 C 66 dxz Ryd( 3d) 0.00042 1.69024 995 C 66 dxz Ryd( 4d) 0.00023 3.06959 996 C 66 dyz Ryd( 3d) 0.00098 2.16334 997 C 66 dyz Ryd( 4d) 0.00015 3.22958 998 C 66 dx2y2 Ryd( 3d) 0.00062 1.98228 999 C 66 dx2y2 Ryd( 4d) 0.00024 3.33943 1000 C 66 dz2 Ryd( 3d) 0.00054 1.65408 1001 C 66 dz2 Ryd( 4d) 0.00009 3.01414 1002 H 67 S Val( 1S) 0.79961 0.04765 1003 H 67 S Ryd( 2S) 0.00189 0.50606 1004 H 67 S Ryd( 3S) 0.00020 2.21691 1005 H 67 px Ryd( 2p) 0.00022 2.73691 1006 H 67 py Ryd( 2p) 0.00015 2.35177 1007 H 67 pz Ryd( 2p) 0.00020 2.12577 1008 C 68 S Cor( 1S) 1.99895 -9.74750 1009 C 68 S Val( 2S) 0.93577 -0.13201 1010 C 68 S Ryd( 3S) 0.00159 1.49981 1011 C 68 S Ryd( 4S) 0.00002 21.16304 1012 C 68 px Val( 2p) 1.15082 -0.03426 1013 C 68 px Ryd( 3p) 0.00559 1.21728 1014 C 68 px Ryd( 4p) 0.00012 3.21977 1015 C 68 py Val( 2p) 1.06720 -0.05634 1016 C 68 py Ryd( 3p) 0.00241 1.01928 1017 C 68 py Ryd( 4p) 0.00012 3.18216 1018 C 68 pz Val( 2p) 1.04183 -0.07563 1019 C 68 pz Ryd( 3p) 0.00179 0.83038 1020 C 68 pz Ryd( 4p) 0.00009 2.99801 1021 C 68 dxy Ryd( 3d) 0.00057 1.84041 1022 C 68 dxy Ryd( 4d) 0.00037 3.38124 1023 C 68 dxz Ryd( 3d) 0.00046 1.64945 1024 C 68 dxz Ryd( 4d) 0.00022 3.19883 1025 C 68 dyz Ryd( 3d) 0.00106 2.15577 1026 C 68 dyz Ryd( 4d) 0.00013 3.40287 1027 C 68 dx2y2 Ryd( 3d) 0.00064 1.96461 1028 C 68 dx2y2 Ryd( 4d) 0.00029 3.47224 1029 C 68 dz2 Ryd( 3d) 0.00054 1.53094 1030 C 68 dz2 Ryd( 4d) 0.00011 3.14151 1031 H 69 S Val( 1S) 0.79832 0.05176 1032 H 69 S Ryd( 2S) 0.00299 0.53593 1033 H 69 S Ryd( 3S) 0.00024 2.30101 1034 H 69 px Ryd( 2p) 0.00022 2.84330 1035 H 69 py Ryd( 2p) 0.00018 2.39128 1036 H 69 pz Ryd( 2p) 0.00022 2.16525 1037 C 70 S Cor( 1S) 1.99882 -9.76023 1038 C 70 S Val( 2S) 0.86699 -0.10602 1039 C 70 S Ryd( 3S) 0.00211 1.25811 1040 C 70 S Ryd( 4S) 0.00002 21.76571 1041 C 70 px Val( 2p) 1.09103 -0.04571 1042 C 70 px Ryd( 3p) 0.00448 1.21538 1043 C 70 px Ryd( 4p) 0.00020 3.67694 1044 C 70 py Val( 2p) 1.03572 -0.05792 1045 C 70 py Ryd( 3p) 0.00675 1.03428 1046 C 70 py Ryd( 4p) 0.00006 3.36699 1047 C 70 pz Val( 2p) 1.01129 -0.07084 1048 C 70 pz Ryd( 3p) 0.00500 0.89307 1049 C 70 pz Ryd( 4p) 0.00005 3.21581 1050 C 70 dxy Ryd( 3d) 0.00059 1.95197 1051 C 70 dxy Ryd( 4d) 0.00042 3.44376 1052 C 70 dxz Ryd( 3d) 0.00050 1.79393 1053 C 70 dxz Ryd( 4d) 0.00028 3.28256 1054 C 70 dyz Ryd( 3d) 0.00080 1.81958 1055 C 70 dyz Ryd( 4d) 0.00025 3.34548 1056 C 70 dx2y2 Ryd( 3d) 0.00058 2.11853 1057 C 70 dx2y2 Ryd( 4d) 0.00066 3.35740 1058 C 70 dz2 Ryd( 3d) 0.00056 1.79928 1059 C 70 dz2 Ryd( 4d) 0.00028 3.15470 1060 C 71 S Cor( 1S) 1.99912 -9.76925 1061 C 71 S Val( 2S) 0.95269 -0.17375 1062 C 71 S Ryd( 3S) 0.00140 1.21655 1063 C 71 S Ryd( 4S) 0.00001 23.27678 1064 C 71 px Val( 2p) 1.11252 -0.06206 1065 C 71 px Ryd( 3p) 0.00267 0.77834 1066 C 71 px Ryd( 4p) 0.00010 3.43965 1067 C 71 py Val( 2p) 1.06270 -0.07321 1068 C 71 py Ryd( 3p) 0.00424 0.91286 1069 C 71 py Ryd( 4p) 0.00017 3.35300 1070 C 71 pz Val( 2p) 1.08018 -0.07341 1071 C 71 pz Ryd( 3p) 0.00307 0.81070 1072 C 71 pz Ryd( 4p) 0.00017 3.32134 1073 C 71 dxy Ryd( 3d) 0.00088 2.13096 1074 C 71 dxy Ryd( 4d) 0.00021 2.91947 1075 C 71 dxz Ryd( 3d) 0.00088 2.12718 1076 C 71 dxz Ryd( 4d) 0.00017 2.81138 1077 C 71 dyz Ryd( 3d) 0.00046 2.06140 1078 C 71 dyz Ryd( 4d) 0.00034 2.70048 1079 C 71 dx2y2 Ryd( 3d) 0.00060 2.12959 1080 C 71 dx2y2 Ryd( 4d) 0.00022 3.04134 1081 C 71 dz2 Ryd( 3d) 0.00095 2.09715 1082 C 71 dz2 Ryd( 4d) 0.00008 3.10788 1083 H 72 S Val( 1S) 0.77940 0.07684 1084 H 72 S Ryd( 2S) 0.00789 0.97118 1085 H 72 S Ryd( 3S) 0.00026 2.67240 1086 H 72 px Ryd( 2p) 0.00016 2.77817 1087 H 72 py Ryd( 2p) 0.00021 2.42067 1088 H 72 pz Ryd( 2p) 0.00019 2.51209 1089 C 73 S Cor( 1S) 1.99927 -9.74810 1090 C 73 S Val( 2S) 1.08498 -0.21656 1091 C 73 S Ryd( 3S) 0.00045 1.09262 1092 C 73 S Ryd( 4S) 0.00001 23.17838 1093 C 73 px Val( 2p) 1.19929 -0.06934 1094 C 73 px Ryd( 3p) 0.00183 0.69226 1095 C 73 px Ryd( 4p) 0.00003 3.22906 1096 C 73 py Val( 2p) 1.07145 -0.06896 1097 C 73 py Ryd( 3p) 0.00100 0.55859 1098 C 73 py Ryd( 4p) 0.00010 3.16198 1099 C 73 pz Val( 2p) 1.19279 -0.06972 1100 C 73 pz Ryd( 3p) 0.00252 0.66048 1101 C 73 pz Ryd( 4p) 0.00001 3.22115 1102 C 73 dxy Ryd( 3d) 0.00075 1.58725 1103 C 73 dxy Ryd( 4d) 0.00007 3.09354 1104 C 73 dxz Ryd( 3d) 0.00078 1.57300 1105 C 73 dxz Ryd( 4d) 0.00005 3.08285 1106 C 73 dyz Ryd( 3d) 0.00055 1.54517 1107 C 73 dyz Ryd( 4d) 0.00007 3.02015 1108 C 73 dx2y2 Ryd( 3d) 0.00127 1.62240 1109 C 73 dx2y2 Ryd( 4d) 0.00003 3.16026 1110 C 73 dz2 Ryd( 3d) 0.00128 1.64467 1111 C 73 dz2 Ryd( 4d) 0.00005 3.20678 1112 H 74 S Val( 1S) 0.81028 0.03669 1113 H 74 S Ryd( 2S) 0.00156 0.68488 1114 H 74 S Ryd( 3S) 0.00017 2.00527 1115 H 74 px Ryd( 2p) 0.00019 2.32702 1116 H 74 py Ryd( 2p) 0.00021 2.30467 1117 H 74 pz Ryd( 2p) 0.00013 2.18197 1118 H 75 S Val( 1S) 0.79773 0.04605 1119 H 75 S Ryd( 2S) 0.00155 0.74727 1120 H 75 S Ryd( 3S) 0.00020 2.08000 1121 H 75 px Ryd( 2p) 0.00020 2.59825 1122 H 75 py Ryd( 2p) 0.00016 2.28786 1123 H 75 pz Ryd( 2p) 0.00013 2.00201 1124 H 76 S Val( 1S) 0.79944 0.04477 1125 H 76 S Ryd( 2S) 0.00123 0.66128 1126 H 76 S Ryd( 3S) 0.00014 2.08095 1127 H 76 px Ryd( 2p) 0.00015 2.00275 1128 H 76 py Ryd( 2p) 0.00014 2.13297 1129 H 76 pz Ryd( 2p) 0.00024 2.72296 1130 C 77 S Cor( 1S) 1.99929 -9.74906 1131 C 77 S Val( 2S) 1.08128 -0.21276 1132 C 77 S Ryd( 3S) 0.00071 1.08849 1133 C 77 S Ryd( 4S) 0.00001 23.24423 1134 C 77 px Val( 2p) 1.19415 -0.07102 1135 C 77 px Ryd( 3p) 0.00184 0.82155 1136 C 77 px Ryd( 4p) 0.00005 3.19052 1137 C 77 py Val( 2p) 1.19858 -0.06666 1138 C 77 py Ryd( 3p) 0.00262 0.72261 1139 C 77 py Ryd( 4p) 0.00006 3.13483 1140 C 77 pz Val( 2p) 1.07340 -0.07012 1141 C 77 pz Ryd( 3p) 0.00123 0.64521 1142 C 77 pz Ryd( 4p) 0.00012 3.04323 1143 C 77 dxy Ryd( 3d) 0.00100 1.60286 1144 C 77 dxy Ryd( 4d) 0.00005 3.07856 1145 C 77 dxz Ryd( 3d) 0.00073 1.61836 1146 C 77 dxz Ryd( 4d) 0.00006 3.07668 1147 C 77 dyz Ryd( 3d) 0.00058 1.58654 1148 C 77 dyz Ryd( 4d) 0.00007 3.03229 1149 C 77 dx2y2 Ryd( 3d) 0.00119 1.63320 1150 C 77 dx2y2 Ryd( 4d) 0.00003 3.12850 1151 C 77 dz2 Ryd( 3d) 0.00104 1.76220 1152 C 77 dz2 Ryd( 4d) 0.00008 3.24322 1153 H 78 S Val( 1S) 0.79608 0.05879 1154 H 78 S Ryd( 2S) 0.00265 0.90607 1155 H 78 S Ryd( 3S) 0.00046 2.36992 1156 H 78 px Ryd( 2p) 0.00016 2.01456 1157 H 78 py Ryd( 2p) 0.00018 2.75802 1158 H 78 pz Ryd( 2p) 0.00017 2.20503 1159 H 79 S Val( 1S) 0.79690 0.04370 1160 H 79 S Ryd( 2S) 0.00205 0.54171 1161 H 79 S Ryd( 3S) 0.00019 2.34293 1162 H 79 px Ryd( 2p) 0.00016 2.59817 1163 H 79 py Ryd( 2p) 0.00015 2.16567 1164 H 79 pz Ryd( 2p) 0.00017 2.19361 1165 H 80 S Val( 1S) 0.80637 0.03926 1166 H 80 S Ryd( 2S) 0.00175 0.60156 1167 H 80 S Ryd( 3S) 0.00023 2.06739 1168 H 80 px Ryd( 2p) 0.00021 2.36563 1169 H 80 py Ryd( 2p) 0.00018 2.08585 1170 H 80 pz Ryd( 2p) 0.00022 2.39410 1171 C 81 S Cor( 1S) 1.99909 -9.76682 1172 C 81 S Val( 2S) 0.95394 -0.17326 1173 C 81 S Ryd( 3S) 0.00105 1.20616 1174 C 81 S Ryd( 4S) 0.00001 23.26277 1175 C 81 px Val( 2p) 1.15709 -0.06656 1176 C 81 px Ryd( 3p) 0.00622 0.90025 1177 C 81 px Ryd( 4p) 0.00015 3.35965 1178 C 81 py Val( 2p) 1.05046 -0.06744 1179 C 81 py Ryd( 3p) 0.00207 0.73888 1180 C 81 py Ryd( 4p) 0.00019 3.38279 1181 C 81 pz Val( 2p) 1.04617 -0.06948 1182 C 81 pz Ryd( 3p) 0.00217 0.77544 1183 C 81 pz Ryd( 4p) 0.00020 3.30761 1184 C 81 dxy Ryd( 3d) 0.00053 2.23936 1185 C 81 dxy Ryd( 4d) 0.00024 2.71904 1186 C 81 dxz Ryd( 3d) 0.00055 2.22292 1187 C 81 dxz Ryd( 4d) 0.00023 2.77332 1188 C 81 dyz Ryd( 3d) 0.00087 2.21933 1189 C 81 dyz Ryd( 4d) 0.00024 3.08602 1190 C 81 dx2y2 Ryd( 3d) 0.00093 2.26510 1191 C 81 dx2y2 Ryd( 4d) 0.00022 2.72061 1192 C 81 dz2 Ryd( 3d) 0.00059 2.18675 1193 C 81 dz2 Ryd( 4d) 0.00021 2.60657 1194 H 82 S Val( 1S) 0.78289 0.07493 1195 H 82 S Ryd( 2S) 0.00655 0.88348 1196 H 82 S Ryd( 3S) 0.00022 2.60685 1197 H 82 px Ryd( 2p) 0.00025 2.87922 1198 H 82 py Ryd( 2p) 0.00016 2.41836 1199 H 82 pz Ryd( 2p) 0.00018 2.37295 1200 C 83 S Cor( 1S) 1.99865 -9.78242 1201 C 83 S Val( 2S) 0.97168 -0.18929 1202 C 83 S Ryd( 3S) 0.00378 1.57905 1203 C 83 S Ryd( 4S) 0.00001 23.13553 1204 C 83 px Val( 2p) 1.07057 -0.11054 1205 C 83 px Ryd( 3p) 0.00352 0.81328 1206 C 83 px Ryd( 4p) 0.00003 2.98033 1207 C 83 py Val( 2p) 1.19447 -0.12715 1208 C 83 py Ryd( 3p) 0.01114 1.32116 1209 C 83 py Ryd( 4p) 0.00009 3.17576 1210 C 83 pz Val( 2p) 1.08650 -0.07418 1211 C 83 pz Ryd( 3p) 0.00422 1.21275 1212 C 83 pz Ryd( 4p) 0.00009 3.08187 1213 C 83 dxy Ryd( 3d) 0.00081 1.33173 1214 C 83 dxy Ryd( 4d) 0.00018 3.47430 1215 C 83 dxz Ryd( 3d) 0.00085 1.65250 1216 C 83 dxz Ryd( 4d) 0.00018 3.47489 1217 C 83 dyz Ryd( 3d) 0.00132 1.74751 1218 C 83 dyz Ryd( 4d) 0.00033 3.65938 1219 C 83 dx2y2 Ryd( 3d) 0.00140 1.38573 1220 C 83 dx2y2 Ryd( 4d) 0.00021 3.55373 1221 C 83 dz2 Ryd( 3d) 0.00071 1.70510 1222 C 83 dz2 Ryd( 4d) 0.00030 3.55998 1223 C 84 S Cor( 1S) 1.99874 -9.77100 1224 C 84 S Val( 2S) 0.87074 -0.11837 1225 C 84 S Ryd( 3S) 0.00268 1.29951 1226 C 84 S Ryd( 4S) 0.00002 22.08512 1227 C 84 px Val( 2p) 0.98841 -0.09559 1228 C 84 px Ryd( 3p) 0.00457 0.77195 1229 C 84 px Ryd( 4p) 0.00003 3.10830 1230 C 84 py Val( 2p) 1.07059 -0.04583 1231 C 84 py Ryd( 3p) 0.00754 1.15519 1232 C 84 py Ryd( 4p) 0.00014 3.59658 1233 C 84 pz Val( 2p) 1.07385 -0.06479 1234 C 84 pz Ryd( 3p) 0.00550 1.15040 1235 C 84 pz Ryd( 4p) 0.00010 3.44649 1236 C 84 dxy Ryd( 3d) 0.00042 1.72236 1237 C 84 dxy Ryd( 4d) 0.00025 3.01986 1238 C 84 dxz Ryd( 3d) 0.00063 1.79879 1239 C 84 dxz Ryd( 4d) 0.00021 3.21218 1240 C 84 dyz Ryd( 3d) 0.00053 2.12623 1241 C 84 dyz Ryd( 4d) 0.00071 3.42058 1242 C 84 dx2y2 Ryd( 3d) 0.00090 2.11679 1243 C 84 dx2y2 Ryd( 4d) 0.00033 3.37787 1244 C 84 dz2 Ryd( 3d) 0.00067 1.88793 1245 C 84 dz2 Ryd( 4d) 0.00034 3.39336 1246 C 85 S Cor( 1S) 1.99894 -9.75469 1247 C 85 S Val( 2S) 0.93508 -0.13881 1248 C 85 S Ryd( 3S) 0.00185 1.44670 1249 C 85 S Ryd( 4S) 0.00003 21.20616 1250 C 85 px Val( 2p) 1.03740 -0.09486 1251 C 85 px Ryd( 3p) 0.00192 0.72365 1252 C 85 px Ryd( 4p) 0.00005 2.86602 1253 C 85 py Val( 2p) 1.08220 -0.04281 1254 C 85 py Ryd( 3p) 0.00317 1.10166 1255 C 85 py Ryd( 4p) 0.00017 3.39058 1256 C 85 pz Val( 2p) 1.14138 -0.05253 1257 C 85 pz Ryd( 3p) 0.00527 1.22873 1258 C 85 pz Ryd( 4p) 0.00007 3.16370 1259 C 85 dxy Ryd( 3d) 0.00041 1.62270 1260 C 85 dxy Ryd( 4d) 0.00013 3.20121 1261 C 85 dxz Ryd( 3d) 0.00077 1.57473 1262 C 85 dxz Ryd( 4d) 0.00012 3.19541 1263 C 85 dyz Ryd( 3d) 0.00065 2.18895 1264 C 85 dyz Ryd( 4d) 0.00029 3.56135 1265 C 85 dx2y2 Ryd( 3d) 0.00091 2.02975 1266 C 85 dx2y2 Ryd( 4d) 0.00027 3.35718 1267 C 85 dz2 Ryd( 3d) 0.00056 1.67843 1268 C 85 dz2 Ryd( 4d) 0.00032 3.29541 1269 H 86 S Val( 1S) 0.79558 0.04726 1270 H 86 S Ryd( 2S) 0.00302 0.53264 1271 H 86 S Ryd( 3S) 0.00026 2.29473 1272 H 86 px Ryd( 2p) 0.00027 2.06859 1273 H 86 py Ryd( 2p) 0.00009 2.61265 1274 H 86 pz Ryd( 2p) 0.00026 2.71965 1275 C 87 S Cor( 1S) 1.99905 -9.76277 1276 C 87 S Val( 2S) 0.94424 -0.14754 1277 C 87 S Ryd( 3S) 0.00134 1.47992 1278 C 87 S Ryd( 4S) 0.00002 20.50721 1279 C 87 px Val( 2p) 0.99800 -0.09391 1280 C 87 px Ryd( 3p) 0.00154 0.71929 1281 C 87 px Ryd( 4p) 0.00010 2.76845 1282 C 87 py Val( 2p) 1.15983 -0.03909 1283 C 87 py Ryd( 3p) 0.00621 1.40133 1284 C 87 py Ryd( 4p) 0.00009 2.94864 1285 C 87 pz Val( 2p) 1.05633 -0.05026 1286 C 87 pz Ryd( 3p) 0.00325 1.02164 1287 C 87 pz Ryd( 4p) 0.00013 3.01054 1288 C 87 dxy Ryd( 3d) 0.00036 1.57846 1289 C 87 dxy Ryd( 4d) 0.00010 2.95179 1290 C 87 dxz Ryd( 3d) 0.00078 2.01856 1291 C 87 dxz Ryd( 4d) 0.00018 3.14158 1292 C 87 dyz Ryd( 3d) 0.00062 2.09873 1293 C 87 dyz Ryd( 4d) 0.00030 3.39227 1294 C 87 dx2y2 Ryd( 3d) 0.00092 1.77112 1295 C 87 dx2y2 Ryd( 4d) 0.00020 3.29121 1296 C 87 dz2 Ryd( 3d) 0.00056 1.96175 1297 C 87 dz2 Ryd( 4d) 0.00030 3.22827 1298 H 88 S Val( 1S) 0.79713 0.04173 1299 H 88 S Ryd( 2S) 0.00187 0.51582 1300 H 88 S Ryd( 3S) 0.00021 2.23607 1301 H 88 px Ryd( 2p) 0.00021 1.99538 1302 H 88 py Ryd( 2p) 0.00027 2.81252 1303 H 88 pz Ryd( 2p) 0.00011 2.42791 1304 C 89 S Cor( 1S) 1.99894 -9.75468 1305 C 89 S Val( 2S) 0.93599 -0.13871 1306 C 89 S Ryd( 3S) 0.00167 1.46361 1307 C 89 S Ryd( 4S) 0.00002 21.14959 1308 C 89 px Val( 2p) 1.03394 -0.09266 1309 C 89 px Ryd( 3p) 0.00164 0.76325 1310 C 89 px Ryd( 4p) 0.00006 2.89878 1311 C 89 py Val( 2p) 1.13402 -0.04256 1312 C 89 py Ryd( 3p) 0.00499 1.15235 1313 C 89 py Ryd( 4p) 0.00014 3.27785 1314 C 89 pz Val( 2p) 1.09367 -0.05402 1315 C 89 pz Ryd( 3p) 0.00369 1.13744 1316 C 89 pz Ryd( 4p) 0.00012 3.26953 1317 C 89 dxy Ryd( 3d) 0.00047 1.53356 1318 C 89 dxy Ryd( 4d) 0.00017 3.15493 1319 C 89 dxz Ryd( 3d) 0.00082 1.78707 1320 C 89 dxz Ryd( 4d) 0.00007 3.26859 1321 C 89 dyz Ryd( 3d) 0.00060 2.02249 1322 C 89 dyz Ryd( 4d) 0.00056 3.53097 1323 C 89 dx2y2 Ryd( 3d) 0.00087 1.82992 1324 C 89 dx2y2 Ryd( 4d) 0.00016 3.34985 1325 C 89 dz2 Ryd( 3d) 0.00054 1.88460 1326 C 89 dz2 Ryd( 4d) 0.00017 3.35336 1327 H 90 S Val( 1S) 0.79429 0.04838 1328 H 90 S Ryd( 2S) 0.00287 0.53253 1329 H 90 S Ryd( 3S) 0.00024 2.31374 1330 H 90 px Ryd( 2p) 0.00025 2.07015 1331 H 90 py Ryd( 2p) 0.00018 2.78855 1332 H 90 pz Ryd( 2p) 0.00018 2.56607 1333 C 91 S Cor( 1S) 1.99878 -9.76815 1334 C 91 S Val( 2S) 0.86784 -0.11315 1335 C 91 S Ryd( 3S) 0.00239 1.27022 1336 C 91 S Ryd( 4S) 0.00002 21.90530 1337 C 91 px Val( 2p) 0.99070 -0.09124 1338 C 91 px Ryd( 3p) 0.00518 0.75961 1339 C 91 px Ryd( 4p) 0.00003 3.11588 1340 C 91 py Val( 2p) 1.08859 -0.05243 1341 C 91 py Ryd( 3p) 0.00562 1.18363 1342 C 91 py Ryd( 4p) 0.00021 3.66483 1343 C 91 pz Val( 2p) 1.04838 -0.05885 1344 C 91 pz Ryd( 3p) 0.00788 1.12460 1345 C 91 pz Ryd( 4p) 0.00008 3.46666 1346 C 91 dxy Ryd( 3d) 0.00046 1.74531 1347 C 91 dxy Ryd( 4d) 0.00023 3.04022 1348 C 91 dxz Ryd( 3d) 0.00071 1.80428 1349 C 91 dxz Ryd( 4d) 0.00024 3.20206 1350 C 91 dyz Ryd( 3d) 0.00064 2.00033 1351 C 91 dyz Ryd( 4d) 0.00057 3.44546 1352 C 91 dx2y2 Ryd( 3d) 0.00075 2.25561 1353 C 91 dx2y2 Ryd( 4d) 0.00044 3.25526 1354 C 91 dz2 Ryd( 3d) 0.00055 1.91107 1355 C 91 dz2 Ryd( 4d) 0.00038 3.32721 1356 C 92 S Cor( 1S) 1.99908 -9.76742 1357 C 92 S Val( 2S) 0.94983 -0.17266 1358 C 92 S Ryd( 3S) 0.00113 1.22842 1359 C 92 S Ryd( 4S) 0.00001 23.29471 1360 C 92 px Val( 2p) 1.05172 -0.07626 1361 C 92 px Ryd( 3p) 0.00358 0.82332 1362 C 92 px Ryd( 4p) 0.00019 3.35461 1363 C 92 py Val( 2p) 1.16133 -0.06302 1364 C 92 py Ryd( 3p) 0.00369 0.81465 1365 C 92 py Ryd( 4p) 0.00012 3.44896 1366 C 92 pz Val( 2p) 1.05659 -0.07164 1367 C 92 pz Ryd( 3p) 0.00433 0.86733 1368 C 92 pz Ryd( 4p) 0.00020 3.39526 1369 C 92 dxy Ryd( 3d) 0.00046 2.08329 1370 C 92 dxy Ryd( 4d) 0.00024 2.60330 1371 C 92 dxz Ryd( 3d) 0.00065 2.07768 1372 C 92 dxz Ryd( 4d) 0.00023 2.90893 1373 C 92 dyz Ryd( 3d) 0.00108 2.17453 1374 C 92 dyz Ryd( 4d) 0.00015 2.98306 1375 C 92 dx2y2 Ryd( 3d) 0.00104 2.19394 1376 C 92 dx2y2 Ryd( 4d) 0.00013 3.12840 1377 C 92 dz2 Ryd( 3d) 0.00049 2.11744 1378 C 92 dz2 Ryd( 4d) 0.00033 2.85166 1379 H 93 S Val( 1S) 0.76476 0.09116 1380 H 93 S Ryd( 2S) 0.00654 0.92870 1381 H 93 S Ryd( 3S) 0.00022 2.69113 1382 H 93 px Ryd( 2p) 0.00020 2.35944 1383 H 93 py Ryd( 2p) 0.00019 2.98772 1384 H 93 pz Ryd( 2p) 0.00018 2.46597 1385 C 94 S Cor( 1S) 1.99925 -9.74277 1386 C 94 S Val( 2S) 1.08165 -0.20955 1387 C 94 S Ryd( 3S) 0.00062 1.07271 1388 C 94 S Ryd( 4S) 0.00001 23.22969 1389 C 94 px Val( 2p) 1.06967 -0.06402 1390 C 94 px Ryd( 3p) 0.00137 0.61645 1391 C 94 px Ryd( 4p) 0.00013 3.04245 1392 C 94 py Val( 2p) 1.19308 -0.06674 1393 C 94 py Ryd( 3p) 0.00203 0.66997 1394 C 94 py Ryd( 4p) 0.00005 3.22056 1395 C 94 pz Val( 2p) 1.20433 -0.06465 1396 C 94 pz Ryd( 3p) 0.00272 0.65792 1397 C 94 pz Ryd( 4p) 0.00005 3.23798 1398 C 94 dxy Ryd( 3d) 0.00025 1.53256 1399 C 94 dxy Ryd( 4d) 0.00014 2.93173 1400 C 94 dxz Ryd( 3d) 0.00089 1.67950 1401 C 94 dxz Ryd( 4d) 0.00008 3.20391 1402 C 94 dyz Ryd( 3d) 0.00118 1.63849 1403 C 94 dyz Ryd( 4d) 0.00003 3.16862 1404 C 94 dx2y2 Ryd( 3d) 0.00143 1.72381 1405 C 94 dx2y2 Ryd( 4d) 0.00002 3.27525 1406 C 94 dz2 Ryd( 3d) 0.00072 1.59511 1407 C 94 dz2 Ryd( 4d) 0.00004 3.02975 1408 H 95 S Val( 1S) 0.81211 0.03716 1409 H 95 S Ryd( 2S) 0.00158 0.65062 1410 H 95 S Ryd( 3S) 0.00019 2.03810 1411 H 95 px Ryd( 2p) 0.00020 2.17149 1412 H 95 py Ryd( 2p) 0.00021 2.61254 1413 H 95 pz Ryd( 2p) 0.00015 2.06905 1414 H 96 S Val( 1S) 0.80117 0.04392 1415 H 96 S Ryd( 2S) 0.00168 0.51532 1416 H 96 S Ryd( 3S) 0.00016 2.18198 1417 H 96 px Ryd( 2p) 0.00018 2.19467 1418 H 96 py Ryd( 2p) 0.00016 2.32051 1419 H 96 pz Ryd( 2p) 0.00021 2.38474 1420 H 97 S Val( 1S) 0.78584 0.06852 1421 H 97 S Ryd( 2S) 0.00202 0.74179 1422 H 97 S Ryd( 3S) 0.00021 2.37220 1423 H 97 px Ryd( 2p) 0.00015 2.40894 1424 H 97 py Ryd( 2p) 0.00014 2.04305 1425 H 97 pz Ryd( 2p) 0.00017 2.57259 1426 C 98 S Cor( 1S) 1.99930 -9.74844 1427 C 98 S Val( 2S) 1.08240 -0.21382 1428 C 98 S Ryd( 3S) 0.00076 1.15323 1429 C 98 S Ryd( 4S) 0.00001 23.18879 1430 C 98 px Val( 2p) 1.16676 -0.06452 1431 C 98 px Ryd( 3p) 0.00254 0.68181 1432 C 98 px Ryd( 4p) 0.00004 3.24825 1433 C 98 py Val( 2p) 1.19689 -0.07142 1434 C 98 py Ryd( 3p) 0.00188 0.73648 1435 C 98 py Ryd( 4p) 0.00004 3.20380 1436 C 98 pz Val( 2p) 1.09875 -0.07107 1437 C 98 pz Ryd( 3p) 0.00147 0.59065 1438 C 98 pz Ryd( 4p) 0.00009 3.20640 1439 C 98 dxy Ryd( 3d) 0.00047 1.47433 1440 C 98 dxy Ryd( 4d) 0.00006 2.97523 1441 C 98 dxz Ryd( 3d) 0.00098 1.57957 1442 C 98 dxz Ryd( 4d) 0.00003 3.13281 1443 C 98 dyz Ryd( 3d) 0.00092 1.61648 1444 C 98 dyz Ryd( 4d) 0.00010 3.21493 1445 C 98 dx2y2 Ryd( 3d) 0.00138 1.66465 1446 C 98 dx2y2 Ryd( 4d) 0.00005 3.29363 1447 C 98 dz2 Ryd( 3d) 0.00093 1.56243 1448 C 98 dz2 Ryd( 4d) 0.00008 3.12992 1449 H 99 S Val( 1S) 0.79162 0.06343 1450 H 99 S Ryd( 2S) 0.00150 1.19119 1451 H 99 S Ryd( 3S) 0.00019 2.15698 1452 H 99 px Ryd( 2p) 0.00024 2.82030 1453 H 99 py Ryd( 2p) 0.00016 1.98101 1454 H 99 pz Ryd( 2p) 0.00014 2.12106 1455 H 100 S Val( 1S) 0.80079 0.04052 1456 H 100 S Ryd( 2S) 0.00154 0.59535 1457 H 100 S Ryd( 3S) 0.00020 2.12415 1458 H 100 px Ryd( 2p) 0.00014 2.06613 1459 H 100 py Ryd( 2p) 0.00017 2.37987 1460 H 100 pz Ryd( 2p) 0.00022 2.45636 1461 H 101 S Val( 1S) 0.80851 0.03833 1462 H 101 S Ryd( 2S) 0.00146 0.69564 1463 H 101 S Ryd( 3S) 0.00020 2.02142 1464 H 101 px Ryd( 2p) 0.00013 2.01864 1465 H 101 py Ryd( 2p) 0.00022 2.57658 1466 H 101 pz Ryd( 2p) 0.00019 2.26325 1467 C 102 S Cor( 1S) 1.99911 -9.76957 1468 C 102 S Val( 2S) 0.95358 -0.17604 1469 C 102 S Ryd( 3S) 0.00125 1.19592 1470 C 102 S Ryd( 4S) 0.00001 23.25105 1471 C 102 px Val( 2p) 1.04819 -0.07581 1472 C 102 px Ryd( 3p) 0.00235 0.82347 1473 C 102 px Ryd( 4p) 0.00019 3.30843 1474 C 102 py Val( 2p) 1.17289 -0.06892 1475 C 102 py Ryd( 3p) 0.00582 0.85270 1476 C 102 py Ryd( 4p) 0.00012 3.35389 1477 C 102 pz Val( 2p) 1.03606 -0.06958 1478 C 102 pz Ryd( 3p) 0.00265 0.77172 1479 C 102 pz Ryd( 4p) 0.00019 3.34670 1480 C 102 dxy Ryd( 3d) 0.00064 2.11199 1481 C 102 dxy Ryd( 4d) 0.00017 2.81383 1482 C 102 dxz Ryd( 3d) 0.00083 2.10217 1483 C 102 dxz Ryd( 4d) 0.00020 3.12279 1484 C 102 dyz Ryd( 3d) 0.00019 2.10801 1485 C 102 dyz Ryd( 4d) 0.00038 2.67267 1486 C 102 dx2y2 Ryd( 3d) 0.00099 2.15086 1487 C 102 dx2y2 Ryd( 4d) 0.00019 2.81761 1488 C 102 dz2 Ryd( 3d) 0.00100 2.14475 1489 C 102 dz2 Ryd( 4d) 0.00021 3.01723 1490 H 103 S Val( 1S) 0.77332 0.07974 1491 H 103 S Ryd( 2S) 0.00419 0.75117 1492 H 103 S Ryd( 3S) 0.00028 2.45112 1493 H 103 px Ryd( 2p) 0.00021 2.34238 1494 H 103 py Ryd( 2p) 0.00024 2.94338 1495 H 103 pz Ryd( 2p) 0.00014 2.37319 1496 C 104 S Cor( 1S) 1.99926 -9.74972 1497 C 104 S Val( 2S) 1.08128 -0.21533 1498 C 104 S Ryd( 3S) 0.00050 1.10682 1499 C 104 S Ryd( 4S) 0.00001 23.16804 1500 C 104 px Val( 2p) 1.10528 -0.07105 1501 C 104 px Ryd( 3p) 0.00160 0.64089 1502 C 104 px Ryd( 4p) 0.00010 3.07149 1503 C 104 py Val( 2p) 1.16251 -0.07023 1504 C 104 py Ryd( 3p) 0.00125 0.66931 1505 C 104 py Ryd( 4p) 0.00008 3.16417 1506 C 104 pz Val( 2p) 1.20228 -0.07111 1507 C 104 pz Ryd( 3p) 0.00291 0.68158 1508 C 104 pz Ryd( 4p) 0.00004 3.26369 1509 C 104 dxy Ryd( 3d) 0.00076 1.64010 1510 C 104 dxy Ryd( 4d) 0.00008 3.08106 1511 C 104 dxz Ryd( 3d) 0.00119 1.69497 1512 C 104 dxz Ryd( 4d) 0.00008 3.22597 1513 C 104 dyz Ryd( 3d) 0.00049 1.51540 1514 C 104 dyz Ryd( 4d) 0.00004 2.90770 1515 C 104 dx2y2 Ryd( 3d) 0.00100 1.65339 1516 C 104 dx2y2 Ryd( 4d) 0.00007 3.14495 1517 C 104 dz2 Ryd( 3d) 0.00100 1.66585 1518 C 104 dz2 Ryd( 4d) 0.00004 3.14913 1519 H 105 S Val( 1S) 0.81031 0.03491 1520 H 105 S Ryd( 2S) 0.00154 0.66823 1521 H 105 S Ryd( 3S) 0.00020 2.05632 1522 H 105 px Ryd( 2p) 0.00018 2.07438 1523 H 105 py Ryd( 2p) 0.00025 2.80155 1524 H 105 pz Ryd( 2p) 0.00014 1.95949 1525 H 106 S Val( 1S) 0.79739 0.04081 1526 H 106 S Ryd( 2S) 0.00152 0.52317 1527 H 106 S Ryd( 3S) 0.00017 2.16165 1528 H 106 px Ryd( 2p) 0.00019 2.24486 1529 H 106 py Ryd( 2p) 0.00012 2.06277 1530 H 106 pz Ryd( 2p) 0.00023 2.59922 1531 H 107 S Val( 1S) 0.79520 0.05379 1532 H 107 S Ryd( 2S) 0.00208 0.75912 1533 H 107 S Ryd( 3S) 0.00026 2.43837 1534 H 107 px Ryd( 2p) 0.00017 2.48549 1535 H 107 py Ryd( 2p) 0.00014 2.02846 1536 H 107 pz Ryd( 2p) 0.00016 2.43535 1537 C 108 S Cor( 1S) 1.99926 -9.75127 1538 C 108 S Val( 2S) 1.08653 -0.21867 1539 C 108 S Ryd( 3S) 0.00056 1.05567 1540 C 108 S Ryd( 4S) 0.00001 23.21031 1541 C 108 px Val( 2p) 1.14119 -0.06882 1542 C 108 px Ryd( 3p) 0.00195 0.60321 1543 C 108 px Ryd( 4p) 0.00005 3.18787 1544 C 108 py Val( 2p) 1.18876 -0.07076 1545 C 108 py Ryd( 3p) 0.00162 0.59939 1546 C 108 py Ryd( 4p) 0.00003 3.17390 1547 C 108 pz Val( 2p) 1.12393 -0.07274 1548 C 108 pz Ryd( 3p) 0.00168 0.61092 1549 C 108 pz Ryd( 4p) 0.00007 3.19589 1550 C 108 dxy Ryd( 3d) 0.00103 1.57397 1551 C 108 dxy Ryd( 4d) 0.00007 3.15062 1552 C 108 dxz Ryd( 3d) 0.00134 1.63749 1553 C 108 dxz Ryd( 4d) 0.00003 3.22212 1554 C 108 dyz Ryd( 3d) 0.00032 1.45994 1555 C 108 dyz Ryd( 4d) 0.00006 2.96478 1556 C 108 dx2y2 Ryd( 3d) 0.00100 1.56375 1557 C 108 dx2y2 Ryd( 4d) 0.00005 3.12553 1558 C 108 dz2 Ryd( 3d) 0.00109 1.61082 1559 C 108 dz2 Ryd( 4d) 0.00007 3.24253 1560 H 109 S Val( 1S) 0.79967 0.04852 1561 H 109 S Ryd( 2S) 0.00121 0.98531 1562 H 109 S Ryd( 3S) 0.00016 1.86699 1563 H 109 px Ryd( 2p) 0.00018 2.53842 1564 H 109 py Ryd( 2p) 0.00014 2.23334 1565 H 109 pz Ryd( 2p) 0.00014 2.06152 1566 H 110 S Val( 1S) 0.80322 0.03763 1567 H 110 S Ryd( 2S) 0.00170 0.49134 1568 H 110 S Ryd( 3S) 0.00013 2.12197 1569 H 110 px Ryd( 2p) 0.00014 2.14560 1570 H 110 py Ryd( 2p) 0.00010 1.98414 1571 H 110 pz Ryd( 2p) 0.00027 2.70632 1572 H 111 S Val( 1S) 0.80858 0.03529 1573 H 111 S Ryd( 2S) 0.00181 0.59424 1574 H 111 S Ryd( 3S) 0.00017 2.05269 1575 H 111 px Ryd( 2p) 0.00015 2.05522 1576 H 111 py Ryd( 2p) 0.00023 2.68636 1577 H 111 pz Ryd( 2p) 0.00013 2.04362 1578 C 112 S Cor( 1S) 1.99926 -9.74517 1579 C 112 S Val( 2S) 1.08422 -0.21310 1580 C 112 S Ryd( 3S) 0.00047 1.05323 1581 C 112 S Ryd( 4S) 0.00001 23.23053 1582 C 112 px Val( 2p) 1.16789 -0.06612 1583 C 112 px Ryd( 3p) 0.00162 0.59474 1584 C 112 px Ryd( 4p) 0.00008 3.17598 1585 C 112 py Val( 2p) 1.11633 -0.06904 1586 C 112 py Ryd( 3p) 0.00158 0.64115 1587 C 112 py Ryd( 4p) 0.00008 3.11497 1588 C 112 pz Val( 2p) 1.18413 -0.06581 1589 C 112 pz Ryd( 3p) 0.00237 0.68384 1590 C 112 pz Ryd( 4p) 0.00006 3.15365 1591 C 112 dxy Ryd( 3d) 0.00077 1.61093 1592 C 112 dxy Ryd( 4d) 0.00006 3.06987 1593 C 112 dxz Ryd( 3d) 0.00092 1.62573 1594 C 112 dxz Ryd( 4d) 0.00005 3.08497 1595 C 112 dyz Ryd( 3d) 0.00139 1.71242 1596 C 112 dyz Ryd( 4d) 0.00004 3.26557 1597 C 112 dx2y2 Ryd( 3d) 0.00082 1.62074 1598 C 112 dx2y2 Ryd( 4d) 0.00005 3.10416 1599 C 112 dz2 Ryd( 3d) 0.00066 1.56763 1600 C 112 dz2 Ryd( 4d) 0.00008 3.00464 1601 H 113 S Val( 1S) 0.80349 0.04113 1602 H 113 S Ryd( 2S) 0.00176 0.49639 1603 H 113 S Ryd( 3S) 0.00015 2.15109 1604 H 113 px Ryd( 2p) 0.00012 1.98161 1605 H 113 py Ryd( 2p) 0.00022 2.53446 1606 H 113 pz Ryd( 2p) 0.00019 2.33088 1607 H 114 S Val( 1S) 0.79041 0.05898 1608 H 114 S Ryd( 2S) 0.00189 0.62594 1609 H 114 S Ryd( 3S) 0.00017 2.35041 1610 H 114 px Ryd( 2p) 0.00014 2.23976 1611 H 114 py Ryd( 2p) 0.00014 2.19208 1612 H 114 pz Ryd( 2p) 0.00016 2.48723 1613 H 115 S Val( 1S) 0.81044 0.03763 1614 H 115 S Ryd( 2S) 0.00157 0.66499 1615 H 115 S Ryd( 3S) 0.00019 2.03375 1616 H 115 px Ryd( 2p) 0.00023 2.68148 1617 H 115 py Ryd( 2p) 0.00016 2.10773 1618 H 115 pz Ryd( 2p) 0.00017 2.04120 1619 C 116 S Cor( 1S) 1.99927 -9.74811 1620 C 116 S Val( 2S) 1.08796 -0.21734 1621 C 116 S Ryd( 3S) 0.00048 1.04256 1622 C 116 S Ryd( 4S) 0.00001 23.21420 1623 C 116 px Val( 2p) 1.16556 -0.06779 1624 C 116 px Ryd( 3p) 0.00155 0.57876 1625 C 116 px Ryd( 4p) 0.00005 3.15703 1626 C 116 py Val( 2p) 1.18853 -0.06692 1627 C 116 py Ryd( 3p) 0.00243 0.63369 1628 C 116 py Ryd( 4p) 0.00002 3.23622 1629 C 116 pz Val( 2p) 1.10215 -0.07126 1630 C 116 pz Ryd( 3p) 0.00156 0.56053 1631 C 116 pz Ryd( 4p) 0.00007 3.18799 1632 C 116 dxy Ryd( 3d) 0.00079 1.57132 1633 C 116 dxy Ryd( 4d) 0.00004 3.00952 1634 C 116 dxz Ryd( 3d) 0.00082 1.60341 1635 C 116 dxz Ryd( 4d) 0.00006 3.05738 1636 C 116 dyz Ryd( 3d) 0.00116 1.69669 1637 C 116 dyz Ryd( 4d) 0.00008 3.22258 1638 C 116 dx2y2 Ryd( 3d) 0.00100 1.61012 1639 C 116 dx2y2 Ryd( 4d) 0.00005 3.08579 1640 C 116 dz2 Ryd( 3d) 0.00073 1.58065 1641 C 116 dz2 Ryd( 4d) 0.00005 3.02601 1642 H 117 S Val( 1S) 0.79917 0.04605 1643 H 117 S Ryd( 2S) 0.00137 0.51335 1644 H 117 S Ryd( 3S) 0.00015 2.12807 1645 H 117 px Ryd( 2p) 0.00016 2.15502 1646 H 117 py Ryd( 2p) 0.00020 2.40227 1647 H 117 pz Ryd( 2p) 0.00016 2.21594 1648 H 118 S Val( 1S) 0.80519 0.03880 1649 H 118 S Ryd( 2S) 0.00188 0.48183 1650 H 118 S Ryd( 3S) 0.00014 2.16258 1651 H 118 px Ryd( 2p) 0.00010 1.97360 1652 H 118 py Ryd( 2p) 0.00018 2.41839 1653 H 118 pz Ryd( 2p) 0.00020 2.41139 1654 H 119 S Val( 1S) 0.80898 0.03835 1655 H 119 S Ryd( 2S) 0.00165 0.63583 1656 H 119 S Ryd( 3S) 0.00017 2.01093 1657 H 119 px Ryd( 2p) 0.00023 2.68858 1658 H 119 py Ryd( 2p) 0.00015 2.01432 1659 H 119 pz Ryd( 2p) 0.00014 2.08762 WARNING: 1 low occupancy (<1.9990e) core orbital found on As 1 1 low occupancy (<1.9990e) core orbital found on As 2 1 low occupancy (<1.9990e) core orbital found on C 4 1 low occupancy (<1.9990e) core orbital found on C 5 1 low occupancy (<1.9990e) core orbital found on C 6 1 low occupancy (<1.9990e) core orbital found on C 10 1 low occupancy (<1.9990e) core orbital found on C 12 1 low occupancy (<1.9990e) core orbital found on C 33 1 low occupancy (<1.9990e) core orbital found on C 34 1 low occupancy (<1.9990e) core orbital found on C 35 1 low occupancy (<1.9990e) core orbital found on C 39 1 low occupancy (<1.9990e) core orbital found on C 41 1 low occupancy (<1.9990e) core orbital found on C 62 1 low occupancy (<1.9990e) core orbital found on C 63 1 low occupancy (<1.9990e) core orbital found on C 64 1 low occupancy (<1.9990e) core orbital found on C 68 1 low occupancy (<1.9990e) core orbital found on C 70 1 low occupancy (<1.9990e) core orbital found on C 83 1 low occupancy (<1.9990e) core orbital found on C 84 1 low occupancy (<1.9990e) core orbital found on C 85 1 low occupancy (<1.9990e) core orbital found on C 89 1 low occupancy (<1.9990e) core orbital found on C 91 WARNING: Population inversion found on atom Ge 3 Population inversion found on atom C 5 Population inversion found on atom C 12 Population inversion found on atom C 23 Population inversion found on atom C 34 Population inversion found on atom C 52 Population inversion found on atom C 63 Population inversion found on atom C 70 Population inversion found on atom C 84 Population inversion found on atom C 102 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- As 1 0.27816 27.99549 4.68171 0.04464 32.72184 As 2 0.26509 27.99544 4.69432 0.04515 32.73491 Ge 3 0.62432 27.99776 3.30542 0.07251 31.37568 C 4 -0.31731 1.99872 4.29254 0.02604 6.31731 C 5 -0.02960 1.99882 4.00798 0.02280 6.02960 C 6 -0.20792 1.99896 4.19263 0.01633 6.20792 H 7 0.19707 0.00000 0.79910 0.00383 0.80293 C 8 -0.18166 1.99906 4.16594 0.01667 6.18166 H 9 0.19728 0.00000 0.80007 0.00265 0.80272 C 10 -0.21185 1.99895 4.19641 0.01650 6.21185 H 11 0.20009 0.00000 0.79646 0.00345 0.79991 C 12 -0.02860 1.99883 4.00713 0.02265 6.02860 C 13 -0.22599 1.99912 4.21028 0.01659 6.22599 H 14 0.21389 0.00000 0.77777 0.00833 0.78611 C 15 -0.56178 1.99927 4.55161 0.01090 6.56178 H 16 0.18665 0.00000 0.81104 0.00231 0.81335 H 17 0.20302 0.00000 0.79449 0.00249 0.79698 H 18 0.19899 0.00000 0.79899 0.00202 0.80101 C 19 -0.55785 1.99929 4.54680 0.01176 6.55785 H 20 0.20143 0.00000 0.79552 0.00305 0.79857 H 21 0.20143 0.00000 0.79608 0.00249 0.79857 H 22 0.19151 0.00000 0.80596 0.00252 0.80849 C 23 -0.22702 1.99910 4.21146 0.01646 6.22702 H 24 0.21627 0.00000 0.77780 0.00593 0.78373 C 25 -0.56432 1.99928 4.55381 0.01124 6.56432 H 26 0.18772 0.00000 0.80986 0.00242 0.81228 H 27 0.19927 0.00000 0.79858 0.00214 0.80073 H 28 0.19845 0.00000 0.79984 0.00171 0.80155 C 29 -0.56080 1.99927 4.55011 0.01143 6.56080 H 30 0.20514 0.00000 0.79195 0.00291 0.79486 H 31 0.19242 0.00000 0.80495 0.00263 0.80758 H 32 0.19172 0.00000 0.80545 0.00283 0.80828 C 33 -0.38712 1.99865 4.35925 0.02922 6.38712 C 34 -0.02431 1.99872 3.99864 0.02695 6.02431 C 35 -0.21146 1.99894 4.19527 0.01725 6.21146 H 36 0.20123 0.00000 0.79490 0.00388 0.79877 C 37 -0.16956 1.99905 4.15354 0.01696 6.16956 H 38 0.20034 0.00000 0.79686 0.00280 0.79966 C 39 -0.21561 1.99894 4.19964 0.01704 6.21561 H 40 0.20380 0.00000 0.79251 0.00368 0.79620 C 41 -0.01713 1.99877 3.99134 0.02702 6.01713 C 42 -0.23679 1.99908 4.21931 0.01840 6.23679 H 43 0.23064 0.00000 0.76215 0.00721 0.76936 C 44 -0.55454 1.99925 4.54351 0.01179 6.55454 H 45 0.18612 0.00000 0.81150 0.00238 0.81388 H 46 0.19840 0.00000 0.79923 0.00237 0.80160 H 47 0.20370 0.00000 0.79300 0.00329 0.79630 C 48 -0.55621 1.99930 4.54491 0.01200 6.55621 H 49 0.20656 0.00000 0.79107 0.00237 0.79344 H 50 0.19763 0.00000 0.79997 0.00240 0.80237 H 51 0.18842 0.00000 0.80940 0.00218 0.81158 C 52 -0.22874 1.99911 4.21208 0.01755 6.22874 H 53 0.22320 0.00000 0.77163 0.00516 0.77680 C 54 -0.56367 1.99927 4.55312 0.01128 6.56367 H 55 0.18710 0.00000 0.81059 0.00231 0.81290 H 56 0.20206 0.00000 0.79573 0.00221 0.79794 H 57 0.20252 0.00000 0.79471 0.00277 0.79748 C 58 -0.55196 1.99925 4.54154 0.01117 6.55196 H 59 0.20251 0.00000 0.79516 0.00232 0.79749 H 60 0.19461 0.00000 0.80308 0.00231 0.80539 H 61 0.18854 0.00000 0.80894 0.00252 0.81146 C 62 -0.31322 1.99871 4.28808 0.02642 6.31322 C 63 -0.03006 1.99882 4.00839 0.02285 6.03006 C 64 -0.20728 1.99896 4.19209 0.01622 6.20728 H 65 0.19668 0.00000 0.79946 0.00385 0.80332 C 66 -0.18365 1.99906 4.16782 0.01678 6.18365 H 67 0.19772 0.00000 0.79961 0.00267 0.80228 C 68 -0.21069 1.99895 4.19562 0.01612 6.21069 H 69 0.19783 0.00000 0.79832 0.00385 0.80217 C 70 -0.02742 1.99882 4.00503 0.02357 6.02742 C 71 -0.22384 1.99912 4.20809 0.01663 6.22384 H 72 0.21188 0.00000 0.77940 0.00871 0.78812 C 73 -0.55860 1.99927 4.54850 0.01083 6.55860 H 74 0.18746 0.00000 0.81028 0.00226 0.81254 H 75 0.20003 0.00000 0.79773 0.00224 0.79997 H 76 0.19866 0.00000 0.79944 0.00190 0.80134 C 77 -0.55818 1.99929 4.54741 0.01148 6.55818 H 78 0.20031 0.00000 0.79608 0.00361 0.79969 H 79 0.20037 0.00000 0.79690 0.00273 0.79963 H 80 0.19102 0.00000 0.80637 0.00260 0.80898 C 81 -0.22343 1.99909 4.20766 0.01667 6.22343 H 82 0.20973 0.00000 0.78289 0.00738 0.79027 C 83 -0.35104 1.99865 4.32323 0.02917 6.35104 C 84 -0.02790 1.99874 4.00359 0.02557 6.02790 C 85 -0.21198 1.99894 4.19607 0.01697 6.21198 H 86 0.20052 0.00000 0.79558 0.00389 0.79948 C 87 -0.17443 1.99905 4.15841 0.01697 6.17443 H 88 0.20020 0.00000 0.79713 0.00267 0.79980 C 89 -0.21332 1.99894 4.19762 0.01676 6.21332 H 90 0.20199 0.00000 0.79429 0.00372 0.79801 C 91 -0.02068 1.99878 3.99552 0.02638 6.02068 C 92 -0.23660 1.99908 4.21947 0.01805 6.23660 H 93 0.22792 0.00000 0.76476 0.00733 0.77208 C 94 -0.55974 1.99925 4.54872 0.01177 6.55974 H 95 0.18556 0.00000 0.81211 0.00233 0.81444 H 96 0.19645 0.00000 0.80117 0.00239 0.80355 H 97 0.21149 0.00000 0.78584 0.00268 0.78851 C 98 -0.55591 1.99930 4.54480 0.01182 6.55591 H 99 0.20614 0.00000 0.79162 0.00224 0.79386 H 100 0.19694 0.00000 0.80079 0.00227 0.80306 H 101 0.18929 0.00000 0.80851 0.00220 0.81071 C 102 -0.22723 1.99911 4.21072 0.01739 6.22723 H 103 0.22161 0.00000 0.77332 0.00507 0.77839 C 104 -0.56186 1.99926 4.55136 0.01124 6.56186 H 105 0.18738 0.00000 0.81031 0.00232 0.81262 H 106 0.20038 0.00000 0.79739 0.00223 0.79962 H 107 0.20200 0.00000 0.79520 0.00281 0.79800 C 108 -0.55071 1.99926 4.54041 0.01104 6.55071 H 109 0.19850 0.00000 0.79967 0.00183 0.80150 H 110 0.19445 0.00000 0.80322 0.00234 0.80555 H 111 0.18893 0.00000 0.80858 0.00250 0.81107 C 112 -0.56294 1.99926 4.55257 0.01112 6.56294 H 113 0.19406 0.00000 0.80349 0.00245 0.80594 H 114 0.20709 0.00000 0.79041 0.00250 0.79291 H 115 0.18724 0.00000 0.81044 0.00232 0.81276 C 116 -0.55441 1.99927 4.54419 0.01095 6.55441 H 117 0.19880 0.00000 0.79917 0.00204 0.80120 H 118 0.19230 0.00000 0.80519 0.00251 0.80770 H 119 0.18869 0.00000 0.80898 0.00234 0.81131 ======================================================================= * Total * 0.00000 179.94265 272.85367 1.20368 454.00000 Natural Population -------------------------------------------------------- Core 179.94265 ( 99.9681% of 180) Valence 272.85367 ( 99.5816% of 274) Natural Minimal Basis 452.79632 ( 99.7349% of 454) Natural Rydberg Basis 1.20368 ( 0.2651% of 454) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- As 1 [core]4S( 1.61)4p( 3.07)4d( 0.03)5p( 0.01) As 2 [core]4S( 1.61)4p( 3.09)4d( 0.03)5p( 0.01) Ge 3 [core]4S( 1.86)4p( 1.44)5S( 0.01)4d( 0.01)5p( 0.05) C 4 [core]2S( 0.97)2p( 3.33)3p( 0.02) C 5 [core]2S( 0.87)2p( 3.14)3p( 0.02) C 6 [core]2S( 0.94)2p( 3.26)3p( 0.01) H 7 1S( 0.80) C 8 [core]2S( 0.94)2p( 3.22)3p( 0.01) H 9 1S( 0.80) C 10 [core]2S( 0.94)2p( 3.26)3p( 0.01) H 11 1S( 0.80) C 12 [core]2S( 0.87)2p( 3.14)3p( 0.02) C 13 [core]2S( 0.95)2p( 3.26)3p( 0.01) H 14 1S( 0.78)2S( 0.01) C 15 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 16 1S( 0.81) H 17 1S( 0.79) H 18 1S( 0.80) C 19 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 20 1S( 0.80) H 21 1S( 0.80) H 22 1S( 0.81) C 23 [core]2S( 0.96)2p( 3.26)3p( 0.01) H 24 1S( 0.78)2S( 0.01) C 25 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 26 1S( 0.81) H 27 1S( 0.80) H 28 1S( 0.80) C 29 [core]2S( 1.09)2p( 3.46)3p( 0.01) H 30 1S( 0.79) H 31 1S( 0.80) H 32 1S( 0.81) C 33 [core]2S( 0.98)2p( 3.38)3p( 0.02)3d( 0.01) C 34 [core]2S( 0.87)2p( 3.13)3p( 0.02) C 35 [core]2S( 0.93)2p( 3.26)3p( 0.01) H 36 1S( 0.79) C 37 [core]2S( 0.94)2p( 3.21)3p( 0.01) H 38 1S( 0.80) C 39 [core]2S( 0.94)2p( 3.26)3p( 0.01) H 40 1S( 0.79) C 41 [core]2S( 0.87)2p( 3.12)3p( 0.02) C 42 [core]2S( 0.95)2p( 3.27)3p( 0.01) H 43 1S( 0.76)2S( 0.01) C 44 [core]2S( 1.08)2p( 3.46)3p( 0.01) H 45 1S( 0.81) H 46 1S( 0.80) H 47 1S( 0.79) C 48 [core]2S( 1.08)2p( 3.46)3p( 0.01) H 49 1S( 0.79) H 50 1S( 0.80) H 51 1S( 0.81) C 52 [core]2S( 0.95)2p( 3.26)3p( 0.01) H 53 1S( 0.77) C 54 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 55 1S( 0.81) H 56 1S( 0.80) H 57 1S( 0.79) C 58 [core]2S( 1.09)2p( 3.46)3p( 0.01) H 59 1S( 0.80) H 60 1S( 0.80) H 61 1S( 0.81) C 62 [core]2S( 0.96)2p( 3.32)3p( 0.02) C 63 [core]2S( 0.87)2p( 3.14)3p( 0.02) C 64 [core]2S( 0.94)2p( 3.26)3p( 0.01) H 65 1S( 0.80) C 66 [core]2S( 0.94)2p( 3.22)3p( 0.01) H 67 1S( 0.80) C 68 [core]2S( 0.94)2p( 3.26)3p( 0.01) H 69 1S( 0.80) C 70 [core]2S( 0.87)2p( 3.14)3p( 0.02) C 71 [core]2S( 0.95)2p( 3.26)3p( 0.01) H 72 1S( 0.78)2S( 0.01) C 73 [core]2S( 1.08)2p( 3.46)3p( 0.01) H 74 1S( 0.81) H 75 1S( 0.80) H 76 1S( 0.80) C 77 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 78 1S( 0.80) H 79 1S( 0.80) H 80 1S( 0.81) C 81 [core]2S( 0.95)2p( 3.25)3p( 0.01) H 82 1S( 0.78)2S( 0.01) C 83 [core]2S( 0.97)2p( 3.35)3p( 0.02)3d( 0.01) C 84 [core]2S( 0.87)2p( 3.13)3p( 0.02) C 85 [core]2S( 0.94)2p( 3.26)3p( 0.01) H 86 1S( 0.80) C 87 [core]2S( 0.94)2p( 3.21)3p( 0.01) H 88 1S( 0.80) C 89 [core]2S( 0.94)2p( 3.26)3p( 0.01) H 90 1S( 0.79) C 91 [core]2S( 0.87)2p( 3.13)3p( 0.02) C 92 [core]2S( 0.95)2p( 3.27)3p( 0.01) H 93 1S( 0.76)2S( 0.01) C 94 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 95 1S( 0.81) H 96 1S( 0.80) H 97 1S( 0.79) C 98 [core]2S( 1.08)2p( 3.46)3p( 0.01) H 99 1S( 0.79) H 100 1S( 0.80) H 101 1S( 0.81) C 102 [core]2S( 0.95)2p( 3.26)3p( 0.01) H 103 1S( 0.77) C 104 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 105 1S( 0.81) H 106 1S( 0.80) H 107 1S( 0.80) C 108 [core]2S( 1.09)2p( 3.45)3p( 0.01) H 109 1S( 0.80) H 110 1S( 0.80) H 111 1S( 0.81) C 112 [core]2S( 1.08)2p( 3.47)3p( 0.01) H 113 1S( 0.80) H 114 1S( 0.79) H 115 1S( 0.81) C 116 [core]2S( 1.09)2p( 3.46)3p( 0.01) H 117 1S( 0.80) H 118 1S( 0.81) H 119 1S( 0.81) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 437.80074 16.19926 90 120 0 17 14 15 0.77 2(2) 1.90 437.80074 16.19926 90 120 0 17 14 15 0.77 3(1) 1.80 438.84183 15.15817 90 122 0 15 12 13 0.45 4(2) 1.80 438.84183 15.15817 90 122 0 15 12 13 0.45 5(1) 1.70 438.84183 15.15817 90 122 0 15 12 13 0.45 6(2) 1.70 438.84183 15.15817 90 122 0 15 12 13 0.45 7(1) 1.60 446.37300 7.62700 90 134 0 3 0 13 0.43 8(2) 1.60 445.73442 8.26558 90 133 0 4 1 13 0.43 9(3) 1.60 446.37300 7.62700 90 134 0 3 0 13 0.43 10(4) 1.60 445.73442 8.26558 90 133 0 4 1 13 0.43 11(5) 1.60 446.37300 7.62700 90 134 0 3 0 13 0.43 12(6) 1.60 445.73442 8.26558 90 133 0 4 1 13 0.43 13(7) 1.60 446.37300 7.62700 90 134 0 3 0 13 0.43 14(8) 1.60 445.73442 8.26558 90 133 0 4 1 13 0.43 15(9) 1.60 446.37300 7.62700 90 134 0 3 0 13 0.43 16(1) 1.50 446.37300 7.62700 90 134 0 3 0 13 0.43 17(2) 1.50 445.73442 8.26558 90 133 0 4 1 13 0.43 18(3) 1.50 446.37300 7.62700 90 134 0 3 0 13 0.43 19(4) 1.50 445.73442 8.26558 90 133 0 4 1 13 0.43 20(5) 1.50 446.37300 7.62700 90 134 0 3 0 13 0.43 21(6) 1.50 445.73442 8.26558 90 133 0 4 1 13 0.43 22(7) 1.50 446.37300 7.62700 90 134 0 3 0 13 0.43 23(8) 1.50 445.73442 8.26558 90 133 0 4 1 13 0.43 24(9) 1.50 446.37300 7.62700 90 134 0 3 0 13 0.43 25(1) 1.60 446.37300 7.62700 90 134 0 3 0 13 0.43 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure WARNING: 1 low occupancy (<1.9990e) core orbital found on As 1 1 low occupancy (<1.9990e) core orbital found on As 2 1 low occupancy (<1.9990e) core orbital found on C 4 1 low occupancy (<1.9990e) core orbital found on C 5 1 low occupancy (<1.9990e) core orbital found on C 6 1 low occupancy (<1.9990e) core orbital found on C 10 1 low occupancy (<1.9990e) core orbital found on C 12 1 low occupancy (<1.9990e) core orbital found on C 33 1 low occupancy (<1.9990e) core orbital found on C 34 1 low occupancy (<1.9990e) core orbital found on C 35 1 low occupancy (<1.9990e) core orbital found on C 39 1 low occupancy (<1.9990e) core orbital found on C 41 1 low occupancy (<1.9990e) core orbital found on C 62 1 low occupancy (<1.9990e) core orbital found on C 63 1 low occupancy (<1.9990e) core orbital found on C 64 1 low occupancy (<1.9990e) core orbital found on C 68 1 low occupancy (<1.9990e) core orbital found on C 70 1 low occupancy (<1.9990e) core orbital found on C 83 1 low occupancy (<1.9990e) core orbital found on C 84 1 low occupancy (<1.9990e) core orbital found on C 85 1 low occupancy (<1.9990e) core orbital found on C 89 1 low occupancy (<1.9990e) core orbital found on C 91 -------------------------------------------------------- Core 179.94275 ( 99.968% of 180) Valence Lewis 266.43024 ( 97.237% of 274) ================== ============================ Total Lewis 446.37300 ( 98.320% of 454) ----------------------------------------------------- Valence non-Lewis 6.75286 ( 1.487% of 454) Rydberg non-Lewis 0.87415 ( 0.193% of 454) ================== ============================ Total non-Lewis 7.62700 ( 1.680% of 454) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.88857) BD ( 1)As 1 -Ge 3 ( 72.03%) 0.8487*As 1 s( 13.05%)p 6.58( 85.89%)d 0.08( 1.06%) 0.0000 0.0000 -0.0004 -0.3602 0.0279 0.0015 -0.0001 0.0000 0.0000 0.0000 -0.6530 0.0198 0.0008 -0.0007 0.0000 0.0000 -0.0001 -0.2263 -0.0047 -0.0008 0.0000 0.0000 0.0000 0.0001 0.6169 -0.0141 -0.0086 -0.0003 0.0000 -0.0006 0.0197 -0.0021 -0.0009 0.0001 0.0867 -0.0017 -0.0004 0.0002 -0.0053 0.0019 0.0006 0.0001 -0.0177 -0.0003 -0.0021 0.0004 -0.0480 0.0019 0.0000 ( 27.97%) 0.5289*Ge 3 s( 4.51%)p21.12( 95.19%)d 0.07( 0.31%) 0.0000 0.0000 -0.0001 -0.1980 0.0766 0.0003 -0.0001 0.0000 0.0000 0.0000 0.5920 -0.0150 0.0069 0.0017 0.0000 0.0000 -0.0007 -0.4048 -0.0044 0.0024 0.0007 0.0000 0.0000 0.0002 -0.6583 -0.0618 0.0002 0.0006 0.0000 0.0013 0.0069 -0.0162 0.0004 0.0002 0.0406 0.0078 0.0026 -0.0006 -0.0171 0.0012 0.0002 -0.0007 -0.0164 -0.0029 -0.0010 0.0000 -0.0209 -0.0030 0.0006 2. (1.95283) BD ( 1)As 1 - C 4 ( 35.88%) 0.5990*As 1 s( 12.21%)p 7.16( 87.36%)d 0.04( 0.43%) 0.0000 0.0000 -0.0004 0.3473 0.0379 -0.0010 0.0001 0.0000 0.0000 -0.0002 -0.7317 -0.0228 -0.0064 -0.0007 0.0000 0.0000 0.0001 0.3784 0.0284 0.0064 0.0007 0.0000 0.0000 0.0000 -0.4400 -0.0014 -0.0037 0.0009 0.0000 -0.0005 0.0030 -0.0222 -0.0030 0.0000 0.0523 0.0177 0.0020 -0.0001 -0.0111 -0.0101 -0.0033 0.0001 0.0132 0.0130 0.0032 -0.0002 0.0122 -0.0061 -0.0023 ( 64.12%) 0.8007* C 4 s( 25.53%)p 2.91( 74.36%)d 0.00( 0.10%) -0.0002 0.5047 -0.0253 -0.0008 0.7100 -0.0471 -0.0013 -0.3926 0.0324 0.0008 0.2866 -0.0044 -0.0009 -0.0164 -0.0009 0.0158 -0.0009 -0.0137 0.0057 0.0133 -0.0023 -0.0108 0.0027 3. (1.91808) BD ( 1)As 1 - C 33 ( 33.37%) 0.5777*As 1 s( 9.73%)p 9.22( 89.76%)d 0.05( 0.50%) 0.0000 0.0000 -0.0011 0.3100 0.0352 -0.0013 0.0001 0.0000 0.0000 -0.0001 -0.1372 0.0041 0.0033 0.0010 0.0000 0.0000 -0.0001 -0.8892 -0.0349 -0.0102 -0.0011 0.0000 0.0000 -0.0002 -0.2940 -0.0160 -0.0035 -0.0002 0.0000 -0.0002 -0.0136 0.0064 0.0006 -0.0003 0.0101 -0.0024 0.0000 0.0003 0.0571 0.0196 0.0017 -0.0005 -0.0222 -0.0213 -0.0051 -0.0004 0.0003 -0.0090 -0.0005 ( 66.63%) 0.8163* C 33 s( 26.74%)p 2.74( 73.18%)d 0.00( 0.09%) -0.0008 0.5160 -0.0327 -0.0007 -0.0122 -0.0164 0.0011 0.8123 -0.0582 -0.0008 0.2611 -0.0028 0.0003 0.0104 -0.0033 -0.0003 -0.0032 0.0144 -0.0006 -0.0216 0.0044 -0.0067 -0.0012 4. (1.89460) BD ( 1)As 2 -Ge 3 ( 71.73%) 0.8469*As 2 s( 13.38%)p 6.39( 85.51%)d 0.08( 1.10%) 0.0000 0.0000 -0.0004 -0.3648 0.0276 0.0011 -0.0002 0.0000 0.0000 0.0000 0.6398 -0.0170 -0.0013 0.0010 0.0000 0.0000 0.0001 0.2506 0.0004 0.0011 0.0005 0.0000 0.0000 0.0001 0.6184 -0.0128 -0.0089 -0.0008 0.0000 -0.0005 0.0164 -0.0030 -0.0006 -0.0001 -0.0870 0.0016 0.0002 -0.0002 0.0044 -0.0027 -0.0009 0.0001 -0.0207 0.0006 -0.0021 0.0004 -0.0518 0.0025 0.0000 ( 28.27%) 0.5317*Ge 3 s( 4.73%)p20.07( 94.98%)d 0.06( 0.29%) 0.0000 0.0000 -0.0002 -0.2033 0.0774 0.0001 0.0000 0.0000 0.0000 -0.0001 -0.6103 0.0159 -0.0077 -0.0017 0.0000 0.0000 0.0005 0.3335 -0.0049 -0.0033 -0.0009 0.0000 0.0000 0.0001 -0.6800 -0.0583 0.0008 0.0006 0.0000 0.0010 0.0044 -0.0147 -0.0001 -0.0004 -0.0400 -0.0053 -0.0031 0.0003 0.0139 -0.0023 -0.0007 -0.0007 -0.0179 -0.0023 -0.0009 0.0000 -0.0214 -0.0036 0.0006 5. (1.95338) BD ( 1)As 2 - C 62 ( 35.95%) 0.5996*As 2 s( 12.44%)p 7.00( 87.13%)d 0.03( 0.44%) 0.0000 0.0000 -0.0004 0.3506 0.0385 -0.0012 0.0001 0.0000 0.0000 0.0002 0.7420 0.0236 0.0077 0.0008 0.0000 0.0000 -0.0001 -0.3874 -0.0302 -0.0061 -0.0006 0.0000 0.0000 0.0000 -0.4112 0.0019 -0.0032 0.0002 0.0000 -0.0005 0.0023 -0.0230 -0.0029 0.0000 -0.0523 -0.0172 -0.0019 0.0001 0.0122 0.0096 0.0029 0.0001 0.0146 0.0136 0.0037 -0.0002 0.0080 -0.0066 -0.0027 ( 64.05%) 0.8003* C 62 s( 25.54%)p 2.91( 74.35%)d 0.00( 0.11%) -0.0002 0.5048 -0.0251 -0.0009 -0.7346 0.0485 0.0016 0.3540 -0.0310 -0.0006 0.2742 -0.0036 -0.0005 -0.0171 -0.0007 -0.0154 0.0008 0.0123 -0.0055 0.0140 -0.0019 -0.0126 0.0029 6. (1.91883) BD ( 1)As 2 - C 83 ( 33.98%) 0.5829*As 2 s( 10.10%)p 8.85( 89.44%)d 0.05( 0.46%) 0.0000 0.0000 0.0011 -0.3164 -0.0299 0.0008 -0.0001 0.0000 0.0000 -0.0001 -0.1371 0.0103 0.0039 0.0006 0.0000 0.0000 -0.0002 -0.8801 -0.0307 -0.0098 -0.0011 0.0000 0.0000 0.0001 0.3152 0.0193 0.0044 -0.0003 0.0000 0.0001 0.0086 -0.0056 -0.0013 -0.0003 0.0084 -0.0012 0.0003 0.0003 0.0542 0.0224 0.0014 0.0005 0.0211 0.0214 0.0050 0.0004 -0.0010 0.0075 0.0007 ( 66.02%) 0.8125* C 83 s( 26.34%)p 2.79( 73.57%)d 0.00( 0.08%) 0.0007 -0.5123 0.0310 0.0008 0.0387 -0.0161 0.0012 0.8097 -0.0598 -0.0008 -0.2733 0.0075 -0.0004 -0.0093 0.0027 0.0010 -0.0035 0.0163 -0.0009 0.0204 -0.0042 0.0054 0.0014 7. (1.96970) BD ( 1) C 4 - C 5 ( 49.34%) 0.7024* C 4 s( 37.41%)p 1.67( 62.50%)d 0.00( 0.09%) -0.0001 0.6115 0.0143 0.0007 0.1005 0.0026 -0.0020 0.6538 0.0190 0.0000 -0.4326 -0.0013 -0.0007 -0.0065 0.0032 0.0064 -0.0023 -0.0227 -0.0059 -0.0070 -0.0092 -0.0097 0.0024 ( 50.66%) 0.7118* C 5 s( 35.75%)p 1.80( 64.19%)d 0.00( 0.06%) 0.0000 0.5978 0.0112 -0.0013 -0.0211 0.0136 -0.0005 -0.6809 0.0044 -0.0014 0.4214 0.0044 0.0013 0.0042 -0.0026 -0.0026 0.0015 -0.0188 -0.0008 -0.0089 -0.0092 -0.0060 0.0047 8. (1.66202) BD ( 2) C 4 - C 5 ( 52.71%) 0.7260* C 4 s( 0.02%)p99.99( 99.96%)d 0.85( 0.02%) -0.0003 -0.0108 0.0097 -0.0003 -0.0170 0.0036 -0.0011 0.5598 0.0168 0.0019 0.8278 0.0207 0.0022 -0.0005 -0.0023 -0.0008 -0.0027 0.0044 0.0041 -0.0041 -0.0042 -0.0073 -0.0064 ( 47.29%) 0.6877* C 5 s( 0.02%)p99.99( 99.95%)d 1.39( 0.03%) 0.0002 0.0134 0.0062 0.0007 -0.0303 0.0003 0.0002 0.5351 0.0025 -0.0003 0.8437 0.0180 -0.0001 -0.0036 -0.0001 -0.0078 -0.0004 -0.0078 -0.0012 0.0073 0.0014 0.0098 0.0040 9. (1.96792) BD ( 1) C 4 - C 12 ( 49.47%) 0.7034* C 4 s( 36.82%)p 1.71( 63.09%)d 0.00( 0.09%) -0.0001 0.6065 0.0187 0.0001 -0.6948 -0.0163 -0.0026 -0.3214 -0.0070 0.0018 0.2109 0.0067 -0.0009 0.0015 0.0088 -0.0017 -0.0058 -0.0124 0.0025 0.0203 0.0044 -0.0145 -0.0021 ( 50.53%) 0.7108* C 12 s( 35.22%)p 1.84( 64.71%)d 0.00( 0.07%) 0.0000 0.5934 0.0109 -0.0010 0.7356 0.0061 0.0017 0.2624 -0.0101 0.0015 -0.1922 0.0065 -0.0007 0.0122 0.0027 -0.0074 -0.0035 -0.0105 0.0087 0.0113 0.0050 -0.0103 0.0002 10. (1.96563) BD ( 1) C 5 - C 6 ( 50.41%) 0.7100* C 5 s( 32.90%)p 2.04( 67.03%)d 0.00( 0.08%) -0.0002 0.5735 0.0059 0.0013 -0.6854 -0.0020 -0.0012 0.3620 0.0108 0.0009 -0.2633 -0.0058 -0.0012 -0.0094 -0.0093 0.0092 0.0050 -0.0103 0.0048 0.0145 -0.0004 -0.0126 0.0028 ( 49.59%) 0.7042* C 6 s( 36.61%)p 1.73( 63.31%)d 0.00( 0.08%) 0.0002 0.6050 0.0041 -0.0005 0.6768 0.0091 -0.0007 -0.3311 0.0131 -0.0011 0.2551 -0.0092 0.0004 -0.0115 -0.0064 0.0095 0.0044 -0.0165 0.0043 0.0077 0.0029 -0.0113 0.0006 11. (1.96614) BD ( 1) C 5 - C 13 ( 50.51%) 0.7107* C 5 s( 31.27%)p 2.20( 68.69%)d 0.00( 0.04%) 0.0000 0.5591 -0.0132 0.0000 0.7264 -0.0233 -0.0001 0.3436 -0.0079 -0.0005 -0.2009 0.0123 0.0006 0.0079 0.0060 -0.0065 -0.0024 -0.0105 0.0066 0.0042 0.0039 -0.0072 0.0004 ( 49.49%) 0.7035* C 13 s( 27.51%)p 2.63( 72.43%)d 0.00( 0.07%) 0.0003 0.5244 0.0029 0.0008 -0.7384 0.0014 0.0002 -0.3623 0.0023 0.0015 0.2185 0.0046 -0.0001 0.0166 0.0013 -0.0099 -0.0016 -0.0052 0.0019 0.0123 0.0015 -0.0103 -0.0010 12. (1.97669) BD ( 1) C 6 - H 7 ( 60.10%) 0.7752* C 6 s( 27.20%)p 2.67( 72.74%)d 0.00( 0.05%) -0.0005 0.5211 -0.0215 -0.0005 0.0588 -0.0127 0.0006 0.7036 -0.0074 -0.0052 -0.4782 0.0045 0.0034 0.0026 0.0004 -0.0016 -0.0006 -0.0190 -0.0023 -0.0091 -0.0075 -0.0033 0.0030 ( 39.90%) 0.6317* H 7 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0019 0.0013 -0.0013 -0.0123 0.0083 13. (1.97697) BD ( 1) C 6 - C 8 ( 50.25%) 0.7089* C 6 s( 36.06%)p 1.77( 63.86%)d 0.00( 0.08%) 0.0001 0.6001 0.0205 0.0011 -0.7317 -0.0281 -0.0005 -0.2780 0.0284 -0.0009 0.1547 -0.0201 0.0008 0.0139 0.0045 -0.0076 -0.0032 -0.0150 0.0063 0.0090 0.0057 -0.0130 -0.0005 ( 49.75%) 0.7054* C 8 s( 36.22%)p 1.76( 63.70%)d 0.00( 0.08%) 0.0001 0.6017 0.0125 0.0004 0.7014 0.0098 0.0009 0.3195 -0.0347 -0.0015 -0.2026 0.0239 0.0010 0.0085 0.0062 -0.0041 -0.0042 -0.0101 0.0046 0.0177 0.0019 -0.0151 0.0006 14. (1.67340) BD ( 2) C 6 - C 8 ( 50.68%) 0.7119* C 6 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0001 0.0020 0.0014 0.0000 -0.0376 0.0002 -0.0009 0.5628 -0.0012 0.0037 0.8256 -0.0012 0.0054 -0.0024 -0.0035 -0.0049 -0.0049 -0.0052 -0.0010 0.0063 0.0010 0.0098 0.0017 ( 49.32%) 0.7023* C 8 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.02%) 0.0000 0.0020 0.0022 -0.0001 -0.0233 -0.0006 -0.0002 0.5685 0.0021 0.0048 0.8221 0.0036 0.0075 0.0081 0.0032 0.0119 0.0046 0.0001 0.0006 -0.0002 -0.0009 0.0014 -0.0012 15. (1.97912) BD ( 1) C 8 - H 9 ( 60.04%) 0.7749* C 8 s( 27.53%)p 2.63( 72.42%)d 0.00( 0.05%) 0.0004 -0.5242 0.0211 0.0005 0.7051 0.0119 -0.0060 -0.3815 -0.0065 0.0033 0.2850 0.0047 -0.0024 0.0131 0.0050 -0.0098 -0.0035 0.0081 -0.0025 -0.0095 -0.0016 0.0086 -0.0004 ( 39.96%) 0.6321* H 9 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0002 -0.0013 -0.0130 0.0071 -0.0053 16. (1.97637) BD ( 1) C 8 - C 10 ( 49.76%) 0.7054* C 8 s( 36.11%)p 1.77( 63.81%)d 0.00( 0.08%) 0.0001 0.6008 0.0118 0.0003 -0.0889 0.0428 0.0018 -0.6538 0.0056 0.0001 0.4481 -0.0028 0.0001 -0.0025 0.0021 0.0023 -0.0020 -0.0250 -0.0005 -0.0080 -0.0076 -0.0056 0.0037 ( 50.24%) 0.7088* C 10 s( 35.78%)p 1.79( 64.14%)d 0.00( 0.08%) 0.0001 0.5979 0.0189 0.0012 0.0230 -0.0432 0.0008 0.6525 0.0114 0.0005 -0.4615 -0.0073 -0.0007 0.0068 -0.0011 -0.0048 0.0007 -0.0241 -0.0018 -0.0057 -0.0086 -0.0072 0.0044 17. (1.97603) BD ( 1) C 10 - H 11 ( 60.21%) 0.7760* C 10 s( 27.29%)p 2.66( 72.66%)d 0.00( 0.05%) 0.0004 -0.5219 0.0213 0.0004 0.7686 -0.0038 -0.0059 0.3027 -0.0116 -0.0016 -0.2095 0.0081 0.0013 -0.0110 -0.0049 0.0068 0.0034 0.0073 -0.0039 -0.0120 -0.0039 0.0100 0.0008 ( 39.79%) 0.6308* H 11 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0015 -0.0013 -0.0135 -0.0058 0.0035 18. (1.96695) BD ( 1) C 10 - C 12 ( 49.63%) 0.7045* C 10 s( 36.80%)p 1.72( 63.13%)d 0.00( 0.07%) 0.0001 0.6066 0.0055 -0.0007 0.6382 -0.0120 0.0004 -0.3839 -0.0129 0.0014 0.2761 0.0098 -0.0003 -0.0096 -0.0074 0.0069 0.0051 -0.0129 0.0031 0.0134 0.0011 -0.0129 0.0002 ( 50.37%) 0.7097* C 12 s( 33.52%)p 1.98( 66.41%)d 0.00( 0.08%) -0.0001 0.5789 0.0044 0.0015 -0.6713 -0.0136 -0.0011 0.3776 -0.0015 0.0008 -0.2658 0.0059 0.0001 -0.0141 -0.0062 0.0093 0.0049 -0.0144 0.0075 0.0059 0.0040 -0.0102 0.0007 19. (1.66063) BD ( 2) C 10 - C 12 ( 51.03%) 0.7143* C 10 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 -0.0003 0.0013 0.0003 -0.0052 0.0013 0.0006 0.5777 0.0011 0.0031 0.8160 -0.0010 0.0068 0.0087 0.0020 0.0134 0.0023 -0.0021 0.0005 0.0023 -0.0002 0.0026 0.0000 ( 48.97%) 0.6998* C 12 s( 0.01%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0001 -0.0048 0.0062 -0.0004 0.0058 -0.0002 -0.0009 0.5873 0.0037 0.0003 0.8091 0.0002 -0.0002 -0.0050 -0.0019 -0.0057 -0.0038 0.0047 0.0012 -0.0066 -0.0009 -0.0117 -0.0020 20. (1.96685) BD ( 1) C 12 - C 23 ( 50.45%) 0.7103* C 12 s( 31.19%)p 2.20( 68.77%)d 0.00( 0.04%) 0.0000 0.5584 -0.0118 -0.0005 -0.0856 -0.0018 -0.0001 -0.6653 0.0189 -0.0003 0.4869 -0.0186 -0.0008 0.0048 0.0001 -0.0034 -0.0005 -0.0157 -0.0001 -0.0016 -0.0093 -0.0015 0.0037 ( 49.55%) 0.7039* C 23 s( 27.75%)p 2.60( 72.18%)d 0.00( 0.06%) 0.0003 0.5268 0.0021 0.0006 0.0779 -0.0031 -0.0017 0.6574 -0.0090 0.0004 -0.5325 -0.0053 -0.0009 0.0036 0.0010 -0.0020 0.0033 -0.0201 0.0000 -0.0131 -0.0014 0.0014 0.0001 21. (1.95331) BD ( 1) C 13 - H 14 ( 60.96%) 0.7807* C 13 s( 21.73%)p 3.60( 78.19%)d 0.00( 0.08%) -0.0002 0.4658 -0.0173 -0.0008 0.6496 -0.0040 -0.0013 -0.3628 0.0192 -0.0005 0.4773 -0.0089 0.0005 -0.0149 -0.0016 0.0198 0.0020 -0.0126 -0.0021 0.0071 -0.0003 -0.0004 0.0001 ( 39.04%) 0.6249* H 14 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0011 0.0009 -0.0090 0.0062 -0.0083 22. (1.97233) BD ( 1) C 13 - C 15 ( 50.91%) 0.7135* C 13 s( 25.56%)p 2.91( 74.40%)d 0.00( 0.04%) 0.0002 0.5055 0.0110 0.0001 -0.0084 0.0171 -0.0017 0.8468 0.0046 0.0016 0.1627 0.0110 0.0007 -0.0026 -0.0012 0.0002 -0.0023 0.0066 -0.0013 -0.0152 0.0021 -0.0091 0.0003 ( 49.09%) 0.7007* C 15 s( 30.37%)p 2.29( 69.56%)d 0.00( 0.07%) 0.0006 0.5511 0.0043 0.0017 -0.0266 -0.0062 0.0038 -0.8179 -0.0021 0.0007 -0.1609 -0.0003 0.0003 0.0016 -0.0002 0.0000 0.0002 0.0101 -0.0010 -0.0206 0.0000 -0.0110 0.0003 23. (1.96867) BD ( 1) C 13 - C 19 ( 50.81%) 0.7128* C 13 s( 25.22%)p 2.96( 74.74%)d 0.00( 0.04%) 0.0002 0.5021 0.0072 0.0000 0.1769 0.0143 -0.0005 -0.1378 -0.0013 -0.0009 -0.8348 -0.0047 -0.0035 -0.0012 0.0027 -0.0045 0.0018 0.0064 -0.0002 -0.0006 -0.0018 0.0188 -0.0010 ( 49.19%) 0.7014* C 19 s( 29.96%)p 2.34( 69.98%)d 0.00( 0.06%) 0.0006 0.5473 0.0049 0.0015 -0.1724 0.0011 0.0030 0.1355 -0.0099 -0.0001 0.8073 -0.0013 0.0000 -0.0020 0.0002 -0.0096 0.0003 0.0066 0.0002 0.0008 -0.0001 0.0211 0.0014 24. (1.98790) BD ( 1) C 15 - H 16 ( 59.50%) 0.7714* C 15 s( 23.14%)p 3.32( 76.77%)d 0.00( 0.09%) 0.0000 0.4810 -0.0015 -0.0006 -0.5560 -0.0029 -0.0010 0.4426 -0.0147 0.0035 -0.5123 -0.0077 -0.0022 -0.0137 -0.0026 0.0202 0.0006 -0.0132 -0.0023 0.0089 -0.0023 0.0037 -0.0017 ( 40.50%) 0.6364* H 16 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0019 0.0006 0.0100 -0.0090 0.0088 25. (1.98484) BD ( 1) C 15 - H 17 ( 60.18%) 0.7758* C 15 s( 23.12%)p 3.32( 76.79%)d 0.00( 0.09%) -0.0001 0.4808 -0.0014 -0.0003 0.8019 0.0053 -0.0042 0.3247 -0.0137 -0.0039 -0.1382 -0.0062 0.0010 0.0145 0.0020 -0.0096 0.0007 -0.0025 -0.0007 0.0200 0.0014 -0.0145 0.0004 ( 39.82%) 0.6310* H 17 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0011 0.0004 -0.0113 -0.0047 0.0012 26. (1.98725) BD ( 1) C 15 - H 18 ( 59.98%) 0.7745* C 15 s( 23.32%)p 3.28( 76.59%)d 0.00( 0.09%) -0.0001 0.4829 -0.0002 -0.0006 -0.2142 -0.0044 -0.0015 0.1684 -0.0125 0.0034 0.8316 0.0042 0.0020 -0.0021 -0.0001 -0.0103 -0.0020 0.0019 0.0041 0.0038 -0.0011 0.0272 0.0006 ( 40.02%) 0.6326* H 18 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0008 0.0003 0.0030 -0.0030 -0.0150 27. (1.97445) BD ( 1) C 19 - H 20 ( 59.92%) 0.7741* C 19 s( 24.15%)p 3.14( 75.75%)d 0.00( 0.10%) 0.0001 -0.4914 0.0037 0.0005 -0.0330 -0.0007 0.0004 0.8501 0.0115 0.0019 0.1831 -0.0103 0.0058 0.0025 -0.0007 -0.0038 0.0025 -0.0064 -0.0009 0.0242 0.0026 0.0191 -0.0021 ( 40.08%) 0.6331* H 20 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0004 -0.0003 0.0001 -0.0146 -0.0040 28. (1.98364) BD ( 1) C 19 - H 21 ( 60.10%) 0.7752* C 19 s( 22.93%)p 3.36( 76.98%)d 0.00( 0.09%) -0.0001 0.4788 -0.0003 -0.0003 0.7724 0.0019 -0.0045 0.3537 0.0004 -0.0026 -0.2187 0.0157 0.0030 0.0194 0.0008 -0.0082 -0.0017 -0.0041 -0.0009 0.0166 0.0011 -0.0119 -0.0026 ( 39.90%) 0.6317* H 21 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0015 0.0005 -0.0108 -0.0041 0.0045 29. (1.98732) BD ( 1) C 19 - H 22 ( 59.76%) 0.7730* C 19 s( 22.92%)p 3.36( 76.99%)d 0.00( 0.09%) 0.0000 0.4788 0.0006 -0.0006 -0.6095 -0.0074 -0.0013 0.3641 0.0055 0.0018 -0.5153 0.0137 -0.0036 -0.0159 -0.0006 0.0189 0.0032 -0.0117 -0.0013 0.0098 -0.0003 -0.0070 0.0040 ( 40.24%) 0.6344* H 22 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0021 0.0006 0.0113 -0.0064 0.0097 30. (1.95676) BD ( 1) C 23 - H 24 ( 60.98%) 0.7809* C 23 s( 20.95%)p 3.77( 78.95%)d 0.00( 0.09%) -0.0002 0.4574 -0.0188 -0.0006 0.6736 -0.0186 -0.0002 -0.5614 -0.0021 0.0001 -0.1426 0.0034 -0.0005 -0.0236 -0.0022 -0.0080 -0.0014 0.0062 0.0006 0.0067 0.0020 -0.0142 -0.0028 ( 39.02%) 0.6246* H 24 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0022 0.0005 -0.0107 0.0075 0.0034 31. (1.97763) BD ( 1) C 23 - C 25 ( 50.74%) 0.7123* C 23 s( 26.18%)p 2.82( 73.79%)d 0.00( 0.03%) 0.0002 0.5115 0.0132 -0.0001 -0.7321 0.0084 -0.0007 -0.4293 -0.0211 0.0001 -0.1309 -0.0020 -0.0004 0.0117 -0.0016 0.0038 -0.0022 0.0013 -0.0027 0.0077 -0.0010 -0.0086 0.0026 ( 49.26%) 0.7019* C 25 s( 30.67%)p 2.26( 69.25%)d 0.00( 0.08%) 0.0005 0.5538 0.0047 0.0018 0.6941 -0.0051 -0.0007 0.4479 0.0128 -0.0022 0.0996 -0.0045 -0.0013 0.0222 -0.0013 0.0057 -0.0006 0.0034 -0.0005 0.0087 0.0000 -0.0130 0.0007 32. (1.96483) BD ( 1) C 23 - C 29 ( 50.89%) 0.7134* C 23 s( 25.12%)p 2.98( 74.84%)d 0.00( 0.05%) 0.0001 0.5011 0.0067 0.0001 0.0510 0.0053 -0.0015 0.2596 -0.0112 0.0012 0.8234 0.0127 0.0025 0.0030 0.0042 0.0009 -0.0028 0.0125 -0.0007 -0.0011 -0.0002 0.0169 -0.0009 ( 49.11%) 0.7008* C 29 s( 30.17%)p 2.31( 69.77%)d 0.00( 0.06%) 0.0007 0.5493 0.0059 0.0015 -0.0379 0.0022 0.0035 -0.2588 0.0072 -0.0002 -0.7932 -0.0026 0.0018 0.0014 -0.0005 0.0020 0.0001 0.0109 0.0007 -0.0024 0.0004 0.0216 0.0000 33. (1.98836) BD ( 1) C 25 - H 26 ( 59.57%) 0.7718* C 25 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 -0.4800 0.0030 0.0007 0.7092 -0.0123 0.0013 -0.4506 -0.0119 0.0010 -0.2497 -0.0031 -0.0013 0.0235 0.0014 0.0114 0.0016 -0.0082 -0.0001 -0.0038 -0.0039 0.0098 0.0013 ( 40.43%) 0.6358* H 26 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0023 -0.0005 -0.0134 0.0074 0.0049 34. (1.98601) BD ( 1) C 25 - H 27 ( 59.98%) 0.7745* C 25 s( 22.76%)p 3.39( 77.15%)d 0.00( 0.09%) 0.0001 -0.4771 0.0002 0.0004 -0.0252 -0.0123 0.0004 0.7347 -0.0013 0.0012 -0.4804 -0.0092 0.0003 0.0063 -0.0018 -0.0038 0.0014 0.0247 0.0005 0.0153 0.0033 -0.0019 0.0016 ( 40.02%) 0.6326* H 27 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0006 -0.0003 0.0008 -0.0124 0.0090 35. (1.98685) BD ( 1) C 25 - H 28 ( 59.96%) 0.7743* C 25 s( 23.47%)p 3.26( 76.43%)d 0.00( 0.09%) 0.0001 -0.4845 0.0007 0.0006 0.1149 -0.0098 0.0015 0.2347 -0.0093 0.0017 0.8341 0.0054 -0.0003 0.0039 -0.0035 -0.0022 -0.0020 -0.0097 -0.0024 0.0026 -0.0005 -0.0283 -0.0009 ( 40.04%) 0.6328* H 28 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0010 -0.0003 -0.0003 -0.0034 -0.0134 36. (1.98514) BD ( 1) C 29 - H 30 ( 60.32%) 0.7766* C 29 s( 23.86%)p 3.19( 76.05%)d 0.00( 0.09%) 0.0000 0.4885 -0.0017 -0.0003 0.7508 0.0058 -0.0041 0.4100 -0.0017 -0.0030 0.1682 -0.0165 -0.0021 0.0211 0.0008 0.0055 0.0018 0.0030 0.0005 0.0144 0.0005 -0.0136 -0.0018 ( 39.68%) 0.6299* H 30 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0003 0.0001 -0.0106 -0.0057 -0.0024 37. (1.98512) BD ( 1) C 29 - H 31 ( 59.67%) 0.7725* C 29 s( 22.80%)p 3.38( 77.11%)d 0.00( 0.09%) -0.0001 0.4775 0.0017 -0.0005 -0.0647 -0.0024 -0.0003 -0.6777 -0.0102 -0.0008 0.5544 -0.0091 0.0033 0.0025 0.0005 -0.0021 -0.0004 -0.0230 -0.0030 -0.0178 0.0007 -0.0043 0.0033 ( 40.33%) 0.6351* H 31 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0015 0.0004 0.0014 0.0117 -0.0111 38. (1.98839) BD ( 1) C 29 - H 32 ( 59.78%) 0.7732* C 29 s( 23.12%)p 3.32( 76.79%)d 0.00( 0.09%) 0.0000 0.4808 -0.0045 -0.0005 -0.6553 -0.0076 -0.0026 0.5517 -0.0018 0.0033 0.1838 -0.0167 0.0021 -0.0244 -0.0013 -0.0036 -0.0032 0.0017 0.0033 0.0068 -0.0016 -0.0147 -0.0003 ( 40.22%) 0.6342* H 32 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0021 0.0006 0.0116 -0.0105 -0.0035 39. (1.96675) BD ( 1) C 33 - C 34 ( 49.30%) 0.7021* C 33 s( 37.04%)p 1.70( 62.88%)d 0.00( 0.08%) 0.0003 -0.6082 -0.0213 -0.0003 0.3257 0.0214 -0.0004 0.1653 -0.0016 0.0023 0.7031 0.0246 0.0006 -0.0035 -0.0026 -0.0117 -0.0052 -0.0157 -0.0028 0.0113 -0.0050 -0.0140 -0.0077 ( 50.70%) 0.7120* C 34 s( 35.72%)p 1.80( 64.21%)d 0.00( 0.07%) 0.0002 -0.5975 -0.0144 0.0010 -0.2699 0.0158 -0.0014 -0.2421 -0.0136 0.0000 -0.7142 -0.0023 -0.0017 -0.0021 -0.0032 -0.0170 0.0032 -0.0063 -0.0056 0.0024 -0.0054 -0.0172 -0.0025 40. (1.65046) BD ( 2) C 33 - C 34 ( 55.71%) 0.7464* C 33 s( 0.07%)p99.99( 99.90%)d 0.54( 0.04%) -0.0010 0.0170 -0.0195 0.0002 0.8901 0.0166 0.0008 0.1404 -0.0093 0.0016 -0.4320 0.0018 -0.0006 0.0017 -0.0072 -0.0152 -0.0021 -0.0009 0.0020 0.0052 -0.0023 0.0038 0.0046 ( 44.29%) 0.6655* C 34 s( 0.01%)p 1.00( 99.96%)d 0.00( 0.03%) -0.0006 0.0076 -0.0042 -0.0002 0.9137 0.0187 -0.0007 0.1126 -0.0076 -0.0002 -0.3891 -0.0182 0.0013 -0.0019 0.0010 0.0086 0.0048 0.0012 0.0019 0.0089 -0.0005 -0.0100 -0.0034 41. (1.96616) BD ( 1) C 33 - C 41 ( 49.25%) 0.7018* C 33 s( 36.07%)p 1.77( 63.83%)d 0.00( 0.10%) -0.0003 0.6002 0.0207 0.0004 0.3158 0.0115 -0.0001 -0.5373 -0.0183 -0.0022 0.4989 0.0241 -0.0007 -0.0143 -0.0041 0.0142 0.0020 -0.0071 -0.0106 -0.0187 0.0014 -0.0046 0.0009 ( 50.75%) 0.7124* C 41 s( 35.37%)p 1.83( 64.55%)d 0.00( 0.08%) 0.0000 0.5946 0.0137 -0.0011 -0.3171 -0.0042 -0.0008 0.5824 0.0085 0.0012 -0.4532 0.0145 -0.0014 -0.0123 0.0014 0.0155 0.0060 -0.0146 0.0055 -0.0089 -0.0037 0.0044 0.0051 42. (1.96380) BD ( 1) C 34 - C 35 ( 50.35%) 0.7096* C 34 s( 32.46%)p 2.08( 67.46%)d 0.00( 0.08%) -0.0003 0.5697 0.0057 0.0012 0.0041 -0.0095 -0.0005 -0.7941 -0.0071 -0.0012 -0.2092 -0.0095 -0.0007 -0.0035 0.0037 0.0048 -0.0062 0.0054 0.0066 -0.0226 -0.0010 -0.0080 -0.0058 ( 49.65%) 0.7046* C 35 s( 36.65%)p 1.73( 63.28%)d 0.00( 0.08%) 0.0002 0.6053 0.0039 -0.0010 0.0012 -0.0106 0.0004 0.7725 0.0021 -0.0005 0.1889 -0.0147 0.0009 0.0001 0.0012 0.0093 -0.0053 0.0119 0.0034 -0.0217 -0.0029 -0.0023 -0.0061 43. (1.96505) BD ( 1) C 34 - C 42 ( 50.97%) 0.7139* C 34 s( 31.75%)p 2.15( 68.21%)d 0.00( 0.03%) -0.0002 0.5633 -0.0148 -0.0001 -0.3022 0.0063 0.0005 0.5449 -0.0165 0.0002 -0.5414 0.0219 0.0000 -0.0037 -0.0037 0.0107 -0.0021 -0.0069 -0.0083 -0.0048 0.0024 0.0069 -0.0018 ( 49.03%) 0.7002* C 42 s( 27.13%)p 2.68( 72.80%)d 0.00( 0.07%) 0.0002 0.5209 0.0036 0.0005 0.3141 -0.0017 -0.0001 -0.5477 0.0001 -0.0008 0.5739 0.0025 -0.0006 -0.0099 -0.0008 0.0110 -0.0010 -0.0197 -0.0032 -0.0055 0.0006 0.0051 -0.0009 44. (1.97571) BD ( 1) C 35 - H 36 ( 60.30%) 0.7765* C 35 s( 27.21%)p 2.67( 72.73%)d 0.00( 0.05%) 0.0005 -0.5212 0.0210 0.0004 0.3327 -0.0060 -0.0022 0.2238 0.0096 -0.0024 0.7525 -0.0112 -0.0047 -0.0018 -0.0030 -0.0143 -0.0013 -0.0070 -0.0037 0.0022 -0.0050 -0.0142 -0.0048 ( 39.70%) 0.6301* H 36 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0020 -0.0014 -0.0057 -0.0032 -0.0130 45. (1.97709) BD ( 1) C 35 - C 37 ( 50.24%) 0.7088* C 35 s( 36.00%)p 1.78( 63.92%)d 0.00( 0.08%) 0.0001 0.5996 0.0203 0.0014 0.2831 -0.0077 0.0009 -0.5846 -0.0398 -0.0004 0.4639 -0.0236 0.0015 -0.0096 -0.0037 0.0179 -0.0023 -0.0123 -0.0085 -0.0103 0.0009 0.0083 -0.0031 ( 49.76%) 0.7054* C 37 s( 36.30%)p 1.75( 63.62%)d 0.00( 0.08%) 0.0001 0.6023 0.0122 0.0004 -0.3106 0.0146 0.0004 0.5341 0.0232 0.0016 -0.5025 0.0342 0.0010 -0.0105 -0.0030 0.0126 -0.0009 -0.0128 -0.0076 -0.0167 0.0036 -0.0005 0.0001 46. (1.66954) BD ( 2) C 35 - C 37 ( 51.22%) 0.7157* C 35 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0027 -0.0036 -0.0002 0.8992 -0.0030 0.0052 0.1005 -0.0006 0.0005 -0.4255 0.0005 -0.0029 0.0004 -0.0041 0.0088 0.0021 0.0019 0.0023 0.0070 0.0018 -0.0093 -0.0026 ( 48.78%) 0.6984* C 37 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 -0.0013 -0.0032 -0.0003 0.8915 0.0046 0.0069 0.1061 0.0006 0.0003 -0.4399 -0.0019 -0.0036 0.0131 0.0036 -0.0024 -0.0014 -0.0068 -0.0023 -0.0040 -0.0022 0.0016 0.0025 47. (1.97904) BD ( 1) C 37 - H 38 ( 60.20%) 0.7759* C 37 s( 27.52%)p 2.63( 72.42%)d 0.00( 0.05%) 0.0004 -0.5242 0.0200 0.0005 0.0165 -0.0003 -0.0005 0.8184 0.0132 -0.0067 0.2322 0.0037 -0.0018 0.0006 -0.0014 -0.0026 0.0037 -0.0097 -0.0030 0.0186 0.0025 0.0069 0.0043 ( 39.80%) 0.6308* H 38 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0003 -0.0013 -0.0002 -0.0151 -0.0043 48. (1.97644) BD ( 1) C 37 - C 39 ( 49.77%) 0.7055* C 37 s( 36.04%)p 1.77( 63.88%)d 0.00( 0.08%) 0.0001 0.6002 0.0110 0.0003 0.3281 -0.0110 -0.0003 0.1771 0.0381 0.0019 0.7057 -0.0168 -0.0002 0.0035 0.0024 0.0173 0.0010 0.0129 0.0015 -0.0080 0.0068 0.0127 0.0049 ( 50.23%) 0.7087* C 39 s( 35.61%)p 1.81( 64.31%)d 0.00( 0.08%) 0.0001 0.5964 0.0189 0.0013 -0.3117 0.0021 -0.0005 -0.2430 -0.0456 0.0004 -0.6962 0.0008 -0.0013 -0.0011 0.0042 0.0212 0.0004 0.0026 0.0058 -0.0048 0.0053 0.0160 0.0047 49. (1.97615) BD ( 1) C 39 - H 40 ( 60.43%) 0.7773* C 39 s( 27.34%)p 2.66( 72.61%)d 0.00( 0.05%) 0.0005 -0.5224 0.0206 0.0004 -0.3265 0.0066 0.0017 0.5991 0.0017 -0.0046 -0.5103 0.0127 0.0032 0.0095 0.0035 -0.0110 0.0003 0.0124 0.0077 0.0088 -0.0011 -0.0027 0.0013 ( 39.57%) 0.6291* H 40 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0018 -0.0014 0.0060 -0.0100 0.0090 50. (1.96616) BD ( 1) C 39 - C 41 ( 49.63%) 0.7045* C 39 s( 36.91%)p 1.71( 63.01%)d 0.00( 0.08%) 0.0001 0.6075 0.0049 -0.0009 0.0307 0.0070 -0.0009 0.7544 -0.0061 0.0006 0.2443 0.0168 -0.0005 -0.0035 0.0020 0.0078 -0.0046 0.0057 0.0049 -0.0230 -0.0035 -0.0054 -0.0056 ( 50.37%) 0.7097* C 41 s( 33.21%)p 2.01( 66.71%)d 0.00( 0.08%) -0.0002 0.5762 0.0045 0.0015 -0.0051 0.0028 -0.0004 -0.7799 -0.0112 -0.0020 -0.2423 0.0101 0.0001 0.0018 -0.0003 0.0064 0.0078 0.0135 -0.0018 -0.0201 0.0017 -0.0040 0.0078 51. (1.65701) BD ( 2) C 39 - C 41 ( 51.96%) 0.7208* C 39 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0030 0.0035 0.0006 -0.8913 -0.0001 -0.0054 -0.1086 -0.0001 0.0007 0.4397 -0.0018 0.0034 -0.0148 -0.0024 0.0009 0.0000 0.0071 0.0011 0.0033 0.0012 -0.0013 -0.0006 ( 48.04%) 0.6931* C 41 s( 0.02%)p99.99( 99.95%)d 1.58( 0.03%) 0.0001 -0.0127 0.0071 -0.0001 -0.8916 -0.0034 0.0004 -0.1373 0.0010 -0.0011 0.4308 -0.0033 -0.0003 0.0117 -0.0043 0.0090 0.0003 -0.0041 0.0023 0.0017 0.0008 -0.0083 -0.0003 52. (1.96546) BD ( 1) C 41 - C 52 ( 50.85%) 0.7131* C 41 s( 31.35%)p 2.19( 68.62%)d 0.00( 0.04%) -0.0001 0.5597 -0.0142 -0.0003 0.3221 -0.0085 0.0004 0.1811 -0.0086 0.0003 0.7408 -0.0271 -0.0004 -0.0014 -0.0038 0.0111 -0.0001 0.0005 -0.0040 -0.0037 -0.0075 0.0120 -0.0033 ( 49.15%) 0.7011* C 52 s( 27.28%)p 2.66( 72.66%)d 0.00( 0.06%) 0.0003 0.5223 0.0020 0.0005 -0.3058 0.0067 0.0005 -0.1818 -0.0002 -0.0016 -0.7746 0.0002 -0.0002 0.0034 0.0000 0.0147 0.0002 0.0078 0.0022 0.0030 0.0029 0.0181 0.0002 53. (1.95318) BD ( 1) C 42 - H 43 ( 61.70%) 0.7855* C 42 s( 22.43%)p 3.45( 77.49%)d 0.00( 0.08%) -0.0003 0.4733 -0.0165 -0.0005 0.1265 -0.0151 0.0013 0.8222 -0.0099 -0.0006 0.2866 -0.0173 0.0002 0.0083 0.0025 0.0035 0.0012 0.0168 0.0025 -0.0198 -0.0022 -0.0069 0.0008 ( 38.30%) 0.6189* H 43 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0011 0.0008 -0.0019 -0.0114 -0.0064 54. (1.96609) BD ( 1) C 42 - C 44 ( 51.16%) 0.7153* C 42 s( 25.20%)p 2.97( 74.76%)d 0.00( 0.04%) 0.0002 0.5019 0.0094 0.0001 -0.8493 -0.0097 -0.0019 -0.1210 0.0182 -0.0014 -0.1059 -0.0001 -0.0002 0.0072 0.0017 0.0032 0.0007 0.0011 -0.0008 0.0158 -0.0007 -0.0101 0.0023 ( 48.84%) 0.6988* C 44 s( 30.13%)p 2.32( 69.81%)d 0.00( 0.06%) 0.0007 0.5489 0.0055 0.0017 0.8225 -0.0009 -0.0027 0.1066 -0.0059 0.0023 0.1007 0.0076 0.0034 0.0032 0.0011 0.0055 0.0001 0.0000 0.0001 0.0198 0.0005 -0.0114 -0.0004 55. (1.97093) BD ( 1) C 42 - C 48 ( 50.88%) 0.7133* C 42 s( 25.23%)p 2.96( 74.73%)d 0.00( 0.04%) 0.0001 0.5023 0.0074 0.0000 0.4040 0.0008 0.0010 -0.0863 0.0171 -0.0006 -0.7591 -0.0104 -0.0019 -0.0025 -0.0015 -0.0137 0.0030 0.0043 0.0001 0.0030 0.0007 0.0113 -0.0003 ( 49.12%) 0.7008* C 48 s( 30.07%)p 2.32( 69.87%)d 0.00( 0.07%) 0.0005 0.5483 0.0014 0.0016 -0.3896 0.0106 0.0023 0.0546 -0.0034 0.0015 0.7374 0.0054 -0.0015 -0.0012 -0.0001 -0.0181 -0.0001 0.0010 0.0007 0.0044 0.0003 0.0177 -0.0004 56. (1.98717) BD ( 1) C 44 - H 45 ( 59.43%) 0.7709* C 44 s( 22.82%)p 3.38( 77.09%)d 0.00( 0.09%) 0.0001 -0.4777 0.0034 0.0007 0.1756 -0.0166 0.0023 0.7976 0.0028 0.0032 0.3217 -0.0003 0.0017 -0.0025 -0.0044 -0.0018 -0.0011 -0.0166 -0.0012 0.0232 0.0001 0.0084 0.0008 ( 40.57%) 0.6370* H 45 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0017 -0.0006 -0.0034 -0.0141 -0.0052 57. (1.98500) BD ( 1) C 44 - H 46 ( 59.94%) 0.7742* C 44 s( 22.63%)p 3.42( 77.28%)d 0.00( 0.09%) -0.0001 0.4757 0.0016 -0.0005 -0.3232 0.0105 -0.0019 0.5859 0.0060 0.0016 -0.5700 -0.0060 -0.0025 -0.0082 -0.0036 0.0078 0.0027 -0.0239 0.0003 -0.0127 0.0014 0.0046 0.0004 ( 40.06%) 0.6329* H 46 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0011 0.0004 0.0059 -0.0108 0.0100 58. (1.98500) BD ( 1) C 44 - H 47 ( 60.29%) 0.7765* C 44 s( 24.37%)p 3.10( 75.54%)d 0.00( 0.09%) 0.0000 0.4937 -0.0018 -0.0003 -0.4324 0.0151 0.0039 0.0890 0.0000 -0.0006 0.7484 0.0108 -0.0037 -0.0017 -0.0010 -0.0192 -0.0028 0.0053 -0.0002 0.0051 -0.0007 0.0208 0.0002 ( 39.71%) 0.6301* H 47 s( 99.99%)p 0.00( 0.01%) 0.9999 -0.0012 0.0001 0.0064 -0.0023 -0.0101 59. (1.97519) BD ( 1) C 48 - H 49 ( 60.19%) 0.7758* C 48 s( 24.06%)p 3.15( 75.84%)d 0.00( 0.10%) -0.0001 0.4905 -0.0031 -0.0006 0.8600 0.0066 0.0012 0.1089 0.0026 -0.0013 0.0821 0.0129 -0.0031 0.0066 0.0007 0.0119 -0.0018 0.0006 0.0005 0.0220 0.0031 -0.0190 0.0023 ( 39.81%) 0.6309* H 49 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0000 0.0003 -0.0146 -0.0020 -0.0019 60. (1.98499) BD ( 1) C 48 - H 50 ( 59.90%) 0.7739* C 48 s( 22.70%)p 3.40( 77.21%)d 0.00( 0.09%) -0.0001 0.4765 0.0020 -0.0004 -0.2962 -0.0081 -0.0002 0.6126 0.0041 -0.0003 -0.5557 0.0097 -0.0012 -0.0151 0.0005 0.0123 0.0007 -0.0192 -0.0038 -0.0104 -0.0002 -0.0031 0.0026 ( 40.10%) 0.6332* H 50 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0011 0.0004 0.0054 -0.0110 0.0107 61. (1.98813) BD ( 1) C 48 - H 51 ( 59.59%) 0.7719* C 48 s( 23.12%)p 3.32( 76.79%)d 0.00( 0.09%) 0.0000 -0.4809 -0.0012 0.0005 0.1399 0.0092 -0.0003 0.7802 0.0015 0.0005 0.3731 -0.0147 0.0018 -0.0100 0.0008 -0.0060 0.0008 -0.0142 -0.0046 0.0207 0.0014 0.0107 -0.0012 ( 40.41%) 0.6357* H 51 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0019 -0.0006 -0.0021 -0.0138 -0.0074 62. (1.95187) BD ( 1) C 52 - H 53 ( 61.29%) 0.7829* C 52 s( 21.32%)p 3.69( 78.59%)d 0.00( 0.09%) -0.0002 0.4614 -0.0183 -0.0006 0.2034 0.0024 0.0002 0.8621 -0.0166 0.0000 0.0280 0.0129 -0.0006 0.0100 0.0005 0.0003 0.0005 -0.0027 -0.0029 -0.0231 -0.0036 -0.0150 -0.0026 ( 38.71%) 0.6222* H 53 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0015 0.0015 -0.0028 -0.0128 0.0008 63. (1.97505) BD ( 1) C 52 - C 54 ( 50.90%) 0.7134* C 52 s( 26.16%)p 2.82( 73.80%)d 0.00( 0.04%) 0.0002 0.5114 0.0106 0.0001 0.7138 0.0121 0.0006 -0.4470 0.0157 -0.0014 0.1679 0.0096 0.0000 -0.0148 0.0003 0.0039 -0.0009 -0.0026 -0.0005 0.0060 -0.0015 -0.0092 0.0031 ( 49.10%) 0.7007* C 54 s( 30.35%)p 2.29( 69.59%)d 0.00( 0.06%) 0.0005 0.5509 0.0039 0.0017 -0.7084 0.0009 0.0030 0.4023 -0.0038 0.0011 -0.1789 -0.0119 -0.0019 -0.0169 -0.0007 0.0089 -0.0004 -0.0040 -0.0002 0.0113 -0.0004 -0.0102 -0.0002 64. (1.96451) BD ( 1) C 52 - C 58 ( 51.00%) 0.7141* C 52 s( 25.23%)p 2.96( 74.73%)d 0.00( 0.04%) 0.0002 0.5022 0.0090 0.0000 -0.5958 0.0006 -0.0016 -0.1476 0.0124 -0.0014 0.6083 0.0183 0.0015 0.0051 0.0000 -0.0155 0.0039 -0.0041 -0.0006 0.0084 0.0016 0.0031 0.0007 ( 49.00%) 0.7000* C 58 s( 30.33%)p 2.30( 69.60%)d 0.00( 0.07%) 0.0007 0.5507 0.0066 0.0016 0.5859 -0.0059 -0.0028 0.1351 -0.0045 0.0021 -0.5783 -0.0074 0.0028 0.0045 0.0001 -0.0218 0.0001 -0.0046 0.0001 0.0107 -0.0001 0.0076 -0.0010 65. (1.98764) BD ( 1) C 54 - H 55 ( 59.53%) 0.7716* C 54 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 -0.4800 0.0012 0.0007 0.1401 0.0154 -0.0014 0.8599 -0.0035 0.0034 -0.0971 0.0040 -0.0015 -0.0142 0.0027 0.0010 0.0000 0.0025 0.0021 0.0224 0.0028 0.0126 0.0016 ( 40.47%) 0.6362* H 55 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0020 -0.0006 -0.0015 -0.0156 0.0022 66. (1.98529) BD ( 1) C 54 - H 56 ( 60.11%) 0.7753* C 54 s( 22.65%)p 3.41( 77.27%)d 0.00( 0.09%) -0.0001 0.4759 0.0009 -0.0004 0.3465 -0.0094 0.0015 0.2941 0.0088 0.0003 0.7523 0.0059 0.0030 0.0065 0.0015 0.0125 0.0029 0.0180 -0.0009 -0.0032 0.0022 0.0183 0.0007 ( 39.89%) 0.6316* H 56 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0007 0.0004 -0.0058 -0.0052 -0.0135 67. (1.98343) BD ( 1) C 54 - H 57 ( 60.14%) 0.7755* C 54 s( 23.92%)p 3.18( 75.99%)d 0.00( 0.09%) 0.0000 0.4891 -0.0025 -0.0004 0.5977 -0.0118 -0.0046 0.1050 0.0081 0.0001 -0.6255 -0.0119 0.0022 0.0043 0.0013 -0.0248 -0.0019 -0.0068 0.0014 0.0098 0.0011 0.0102 0.0002 ( 39.86%) 0.6314* H 57 s( 99.99%)p 0.00( 0.01%) 0.9999 0.0009 0.0003 -0.0087 -0.0011 0.0081 68. (1.98535) BD ( 1) C 58 - H 59 ( 60.15%) 0.7755* C 58 s( 23.87%)p 3.19( 76.03%)d 0.00( 0.10%) 0.0001 -0.4885 0.0035 0.0004 0.7113 -0.0007 0.0025 -0.4833 -0.0053 -0.0004 0.1433 0.0127 -0.0026 0.0241 0.0011 -0.0143 0.0030 0.0066 0.0001 -0.0050 -0.0022 0.0134 0.0002 ( 39.85%) 0.6313* H 59 s( 99.99%)p 0.00( 0.01%) -0.9999 -0.0006 0.0000 -0.0094 0.0075 -0.0018 69. (1.98506) BD ( 1) C 58 - H 60 ( 59.76%) 0.7730* C 58 s( 22.75%)p 3.39( 77.16%)d 0.00( 0.09%) -0.0001 0.4770 0.0020 -0.0005 0.2990 0.0131 -0.0006 0.1959 0.0026 0.0001 0.8023 -0.0032 0.0004 0.0061 -0.0015 0.0204 -0.0002 0.0110 0.0008 0.0040 -0.0016 0.0163 0.0046 ( 40.24%) 0.6344* H 60 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0014 0.0003 -0.0056 -0.0036 -0.0147 70. (1.98812) BD ( 1) C 58 - H 61 ( 59.57%) 0.7718* C 58 s( 23.02%)p 3.34( 76.89%)d 0.00( 0.09%) 0.0000 -0.4797 0.0037 0.0007 0.2448 -0.0113 0.0010 0.8418 0.0012 0.0010 -0.0116 0.0124 -0.0012 -0.0093 -0.0037 -0.0027 0.0011 -0.0055 0.0034 0.0243 0.0007 0.0138 0.0023 ( 40.43%) 0.6359* H 61 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0019 -0.0004 -0.0048 -0.0152 -0.0002 71. (1.96934) BD ( 1) C 62 - C 63 ( 49.37%) 0.7027* C 62 s( 37.42%)p 1.67( 62.49%)d 0.00( 0.09%) -0.0001 0.6116 0.0148 0.0006 -0.0584 -0.0027 0.0022 -0.6526 -0.0176 -0.0003 -0.4419 -0.0009 -0.0007 -0.0079 0.0020 -0.0070 0.0014 0.0226 0.0062 -0.0056 -0.0096 -0.0092 0.0024 ( 50.63%) 0.7115* C 63 s( 35.62%)p 1.81( 64.32%)d 0.00( 0.06%) 0.0000 0.5968 0.0106 -0.0012 -0.0218 -0.0134 0.0003 0.6788 -0.0055 0.0015 0.4262 0.0053 0.0013 0.0031 -0.0039 0.0014 -0.0016 0.0190 0.0006 -0.0091 -0.0087 -0.0054 0.0047 72. (1.65253) BD ( 2) C 62 - C 63 ( 52.48%) 0.7245* C 62 s( 0.01%)p99.99( 99.97%)d 1.38( 0.02%) -0.0003 -0.0047 0.0102 -0.0003 0.0325 -0.0025 0.0007 -0.5646 -0.0178 -0.0021 0.8241 0.0216 0.0022 -0.0010 -0.0030 0.0011 0.0031 -0.0037 -0.0040 -0.0035 -0.0040 -0.0073 -0.0064 ( 47.52%) 0.6893* C 63 s( 0.02%)p99.99( 99.95%)d 1.99( 0.03%) 0.0002 0.0104 0.0068 0.0008 0.0617 -0.0008 -0.0002 -0.5359 -0.0017 0.0001 0.8416 0.0175 0.0000 -0.0034 0.0001 0.0071 0.0001 0.0079 0.0012 0.0079 0.0012 0.0102 0.0036 73. (1.96861) BD ( 1) C 62 - C 70 ( 49.46%) 0.7033* C 62 s( 36.80%)p 1.71( 63.10%)d 0.00( 0.09%) -0.0001 0.6064 0.0184 0.0002 0.6730 0.0161 0.0023 0.3582 0.0065 -0.0016 0.2222 0.0074 -0.0011 0.0027 0.0096 0.0016 0.0064 0.0131 -0.0019 0.0195 0.0036 -0.0150 -0.0017 ( 50.54%) 0.7109* C 70 s( 35.66%)p 1.80( 64.28%)d 0.00( 0.06%) 0.0000 0.5970 0.0127 -0.0008 -0.7158 -0.0082 -0.0020 -0.2931 0.0094 -0.0015 -0.2103 0.0112 -0.0005 0.0124 0.0038 0.0082 0.0037 0.0109 -0.0079 0.0094 0.0050 -0.0092 -0.0005 74. (1.96581) BD ( 1) C 63 - C 64 ( 50.41%) 0.7100* C 63 s( 33.04%)p 2.02( 66.88%)d 0.00( 0.08%) -0.0002 0.5748 0.0064 0.0012 0.7061 0.0029 0.0011 -0.3186 -0.0104 -0.0008 -0.2617 -0.0071 -0.0012 -0.0078 -0.0091 -0.0097 -0.0047 0.0095 -0.0051 0.0156 0.0006 -0.0126 0.0031 ( 49.59%) 0.7042* C 64 s( 36.71%)p 1.72( 63.21%)d 0.00( 0.08%) 0.0002 0.6059 0.0044 -0.0006 -0.6966 -0.0086 0.0007 0.2829 -0.0137 0.0011 0.2577 -0.0098 0.0005 -0.0103 -0.0060 -0.0105 -0.0042 0.0158 -0.0046 0.0092 0.0037 -0.0110 0.0004 75. (1.96594) BD ( 1) C 63 - C 71 ( 50.48%) 0.7105* C 63 s( 31.26%)p 2.20( 68.70%)d 0.00( 0.04%) 0.0001 0.5590 -0.0130 0.0001 -0.7042 0.0225 0.0003 -0.3869 0.0096 0.0003 -0.2018 0.0118 0.0007 0.0087 0.0064 0.0053 0.0029 0.0105 -0.0064 0.0032 0.0032 -0.0074 0.0005 ( 49.52%) 0.7037* C 71 s( 27.56%)p 2.63( 72.37%)d 0.00( 0.06%) 0.0003 0.5250 0.0028 0.0008 0.7158 -0.0014 0.0000 0.4121 -0.0015 -0.0010 0.2037 0.0035 -0.0002 0.0178 0.0012 0.0091 0.0019 0.0050 -0.0021 0.0094 0.0011 -0.0111 -0.0012 76. (1.97673) BD ( 1) C 64 - H 65 ( 60.08%) 0.7751* C 64 s( 27.16%)p 2.68( 72.79%)d 0.00( 0.05%) 0.0004 -0.5207 0.0213 0.0004 0.0118 -0.0121 0.0009 0.7007 -0.0082 -0.0050 0.4863 -0.0043 -0.0035 -0.0014 0.0006 -0.0004 -0.0004 -0.0191 -0.0024 0.0092 0.0075 0.0032 -0.0031 ( 39.92%) 0.6318* H 65 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0018 -0.0014 -0.0006 -0.0123 -0.0084 77. (1.97663) BD ( 1) C 64 - C 66 ( 50.23%) 0.7087* C 64 s( 35.99%)p 1.78( 63.93%)d 0.00( 0.08%) 0.0001 0.5996 0.0201 0.0011 0.7124 0.0297 0.0003 0.3239 -0.0268 0.0010 0.1579 -0.0202 0.0007 0.0146 0.0052 0.0070 0.0035 0.0157 -0.0061 0.0073 0.0050 -0.0126 -0.0006 ( 49.77%) 0.7055* C 66 s( 36.11%)p 1.77( 63.81%)d 0.00( 0.08%) 0.0001 0.6008 0.0120 0.0004 -0.6803 -0.0124 -0.0009 -0.3574 0.0337 0.0014 -0.2138 0.0244 0.0010 0.0105 0.0062 0.0036 0.0046 0.0104 -0.0044 0.0167 0.0009 -0.0147 0.0005 78. (1.66669) BD ( 2) C 64 - C 66 ( 50.66%) 0.7118* C 64 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 0.0001 0.0025 0.0014 0.0000 0.0746 0.0002 0.0009 -0.5681 0.0010 -0.0035 0.8194 -0.0011 0.0054 -0.0018 -0.0032 0.0043 0.0048 0.0052 0.0014 0.0064 0.0015 0.0100 0.0018 ( 49.34%) 0.7024* C 66 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.02%) 0.0000 0.0037 0.0021 0.0000 0.0537 0.0005 0.0002 -0.5814 -0.0020 -0.0047 0.8117 0.0035 0.0072 0.0082 0.0031 -0.0116 -0.0046 -0.0009 -0.0008 -0.0012 -0.0011 0.0014 -0.0011 79. (1.97919) BD ( 1) C 66 - H 67 ( 60.07%) 0.7750* C 66 s( 27.54%)p 2.63( 72.41%)d 0.00( 0.05%) -0.0004 0.5243 -0.0214 -0.0005 0.7278 0.0125 -0.0060 -0.3327 -0.0058 0.0029 -0.2888 -0.0047 0.0024 -0.0117 -0.0046 -0.0103 -0.0034 0.0076 -0.0029 0.0111 0.0022 -0.0085 0.0003 ( 39.93%) 0.6319* H 67 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0002 0.0013 -0.0134 0.0061 0.0054 80. (1.97637) BD ( 1) C 66 - C 68 ( 49.78%) 0.7055* C 66 s( 36.22%)p 1.76( 63.70%)d 0.00( 0.08%) 0.0001 0.6017 0.0127 0.0002 0.0465 -0.0427 -0.0018 0.6495 -0.0083 -0.0002 0.4594 -0.0036 0.0000 -0.0033 0.0011 -0.0038 0.0019 0.0249 0.0008 -0.0069 -0.0078 -0.0047 0.0039 ( 50.22%) 0.7087* C 68 s( 35.96%)p 1.78( 63.96%)d 0.00( 0.08%) 0.0001 0.5993 0.0197 0.0012 0.0235 0.0445 -0.0011 -0.6386 -0.0089 -0.0010 -0.4787 -0.0063 -0.0007 0.0060 -0.0022 0.0038 -0.0012 0.0247 0.0021 -0.0059 -0.0085 -0.0056 0.0041 81. (1.97651) BD ( 1) C 68 - H 69 ( 60.14%) 0.7755* C 68 s( 27.15%)p 2.68( 72.80%)d 0.00( 0.05%) -0.0004 0.5206 -0.0203 -0.0003 0.7461 -0.0016 -0.0055 0.3441 -0.0122 -0.0015 0.2294 -0.0092 -0.0012 0.0123 0.0055 0.0071 0.0039 0.0083 -0.0037 0.0103 0.0033 -0.0098 -0.0007 ( 39.86%) 0.6314* H 69 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0019 0.0014 -0.0124 -0.0065 -0.0040 82. (1.96630) BD ( 1) C 68 - C 70 ( 49.64%) 0.7046* C 68 s( 36.75%)p 1.72( 63.18%)d 0.00( 0.07%) 0.0002 0.6062 0.0036 -0.0009 -0.6637 0.0106 -0.0010 0.3356 0.0112 -0.0008 0.2800 0.0103 -0.0003 -0.0080 -0.0067 -0.0076 -0.0049 0.0123 -0.0034 0.0150 0.0022 -0.0126 0.0002 ( 50.36%) 0.7096* C 70 s( 33.09%)p 2.02( 66.83%)d 0.00( 0.08%) -0.0001 0.5752 0.0037 0.0011 0.6958 0.0116 0.0013 -0.3355 0.0011 -0.0003 -0.2672 0.0058 -0.0003 -0.0134 -0.0056 -0.0112 -0.0042 0.0138 -0.0078 0.0088 0.0043 -0.0092 0.0000 83. (1.65274) BD ( 2) C 68 - C 70 ( 51.16%) 0.7153* C 68 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 -0.0019 0.0029 0.0006 0.0323 -0.0019 0.0000 -0.5998 0.0007 -0.0039 0.7993 -0.0001 0.0045 0.0099 0.0016 -0.0134 -0.0023 0.0016 -0.0008 0.0009 -0.0003 0.0023 -0.0002 ( 48.84%) 0.6988* C 70 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0001 -0.0017 0.0066 0.0004 0.0138 -0.0006 -0.0001 -0.6069 -0.0053 -0.0005 0.7944 0.0009 -0.0007 -0.0043 -0.0031 0.0066 0.0032 -0.0026 -0.0011 -0.0061 -0.0006 -0.0129 -0.0012 84. (1.96564) BD ( 1) C 70 - C 81 ( 50.50%) 0.7106* C 70 s( 31.19%)p 2.20( 68.77%)d 0.00( 0.04%) 0.0000 0.5584 -0.0128 -0.0003 0.0485 -0.0049 -0.0002 0.6573 -0.0217 -0.0003 0.5025 -0.0149 -0.0004 0.0044 -0.0004 0.0034 -0.0003 0.0161 0.0003 -0.0025 -0.0088 -0.0029 0.0047 ( 49.50%) 0.7036* C 81 s( 27.46%)p 2.64( 72.48%)d 0.00( 0.06%) 0.0003 0.5241 0.0026 0.0006 -0.0679 -0.0028 0.0011 -0.6539 0.0048 0.0002 -0.5408 0.0015 0.0000 0.0029 -0.0007 0.0028 0.0001 0.0202 0.0007 -0.0124 -0.0035 0.0018 0.0005 85. (1.95327) BD ( 1) C 71 - H 72 ( 60.86%) 0.7802* C 71 s( 21.65%)p 3.61( 78.26%)d 0.00( 0.08%) 0.0002 -0.4650 0.0175 0.0008 0.6710 -0.0059 -0.0011 -0.3462 0.0194 -0.0005 -0.4606 0.0084 -0.0003 0.0149 0.0018 0.0198 0.0022 -0.0118 -0.0021 -0.0084 0.0001 0.0012 -0.0001 ( 39.14%) 0.6256* H 72 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0011 -0.0008 -0.0093 0.0060 0.0080 86. (1.97155) BD ( 1) C 71 - C 73 ( 50.88%) 0.7133* C 71 s( 25.49%)p 2.92( 74.48%)d 0.00( 0.03%) 0.0002 0.5048 0.0115 0.0000 0.0548 -0.0166 0.0015 -0.8373 -0.0061 -0.0020 0.2005 0.0115 0.0007 -0.0039 -0.0004 0.0003 0.0022 -0.0072 0.0022 -0.0134 0.0027 -0.0083 0.0004 ( 49.12%) 0.7009* C 73 s( 30.41%)p 2.29( 69.52%)d 0.00( 0.07%) 0.0006 0.5514 0.0042 0.0018 -0.0250 0.0068 -0.0019 0.8093 0.0028 -0.0019 -0.1988 0.0000 0.0017 -0.0005 -0.0003 0.0012 -0.0007 -0.0125 0.0014 -0.0214 0.0006 -0.0109 0.0007 87. (1.96964) BD ( 1) C 71 - C 77 ( 50.78%) 0.7126* C 71 s( 25.31%)p 2.95( 74.65%)d 0.00( 0.05%) 0.0002 0.5030 0.0069 0.0001 -0.1817 -0.0141 0.0005 0.0904 0.0006 0.0004 -0.8397 -0.0044 -0.0028 -0.0014 0.0021 0.0054 -0.0015 -0.0049 0.0002 -0.0005 -0.0024 0.0203 0.0000 ( 49.22%) 0.7016* C 77 s( 30.04%)p 2.33( 69.91%)d 0.00( 0.05%) 0.0006 0.5481 0.0049 0.0015 0.1823 -0.0016 -0.0021 -0.0883 0.0102 0.0013 0.8111 -0.0015 0.0006 -0.0016 0.0005 0.0092 0.0001 -0.0042 0.0004 0.0017 -0.0006 0.0200 0.0019 88. (1.98775) BD ( 1) C 73 - H 74 ( 59.53%) 0.7716* C 73 s( 23.15%)p 3.32( 76.76%)d 0.00( 0.09%) 0.0000 0.4812 -0.0018 -0.0006 0.6021 0.0012 -0.0003 -0.4251 0.0152 -0.0018 -0.4734 -0.0076 -0.0003 -0.0135 -0.0032 -0.0203 -0.0009 0.0122 0.0019 0.0109 -0.0018 0.0017 -0.0019 ( 40.47%) 0.6361* H 74 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0020 0.0005 -0.0110 0.0085 0.0081 89. (1.98466) BD ( 1) C 73 - H 75 ( 60.01%) 0.7747* C 73 s( 23.11%)p 3.32( 76.80%)d 0.00( 0.10%) -0.0001 0.4807 -0.0006 -0.0005 -0.7725 -0.0066 -0.0003 -0.3868 0.0083 -0.0022 -0.1464 -0.0072 -0.0004 0.0161 0.0027 0.0085 0.0005 0.0050 -0.0003 0.0214 -0.0018 -0.0114 -0.0017 ( 39.99%) 0.6324* H 75 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0012 0.0003 0.0132 0.0062 0.0019 90. (1.98711) BD ( 1) C 73 - H 76 ( 59.96%) 0.7743* C 73 s( 23.29%)p 3.29( 76.62%)d 0.00( 0.09%) -0.0001 0.4826 -0.0005 -0.0005 0.1975 0.0032 0.0018 -0.1147 0.0137 -0.0019 0.8449 0.0025 -0.0005 -0.0009 -0.0001 0.0092 0.0022 0.0010 -0.0038 0.0033 -0.0006 0.0274 0.0016 ( 40.04%) 0.6328* H 76 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0008 0.0003 -0.0029 0.0019 -0.0149 91. (1.97572) BD ( 1) C 77 - H 78 ( 59.92%) 0.7741* C 77 s( 24.08%)p 3.15( 75.83%)d 0.00( 0.09%) -0.0001 0.4907 -0.0034 -0.0005 -0.0814 -0.0016 -0.0010 0.8379 0.0105 -0.0021 -0.2218 0.0153 0.0020 -0.0046 -0.0002 0.0000 0.0003 -0.0101 -0.0018 -0.0250 -0.0006 -0.0134 -0.0010 ( 40.08%) 0.6331* H 78 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0004 0.0004 0.0020 -0.0114 0.0046 92. (1.98385) BD ( 1) C 77 - H 79 ( 60.06%) 0.7750* C 77 s( 22.87%)p 3.37( 77.04%)d 0.00( 0.09%) 0.0001 -0.4782 0.0005 0.0003 0.7528 0.0028 -0.0022 0.4054 0.0008 -0.0027 0.1977 -0.0144 -0.0014 -0.0215 -0.0005 -0.0065 -0.0017 -0.0043 -0.0009 -0.0143 -0.0005 0.0130 0.0019 ( 39.94%) 0.6320* H 79 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0015 -0.0005 -0.0108 -0.0047 -0.0046 93. (1.98748) BD ( 1) C 77 - H 80 ( 59.74%) 0.7729* C 77 s( 22.97%)p 3.35( 76.95%)d 0.00( 0.09%) 0.0000 0.4792 0.0004 -0.0006 0.6263 0.0085 0.0035 -0.3527 -0.0054 -0.0035 -0.5024 0.0138 -0.0045 -0.0155 -0.0004 -0.0186 -0.0029 0.0105 0.0011 0.0106 -0.0003 -0.0068 0.0035 ( 40.26%) 0.6345* H 80 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0020 0.0006 -0.0116 0.0063 0.0095 94. (1.95749) BD ( 1) C 81 - H 82 ( 60.80%) 0.7797* C 81 s( 21.36%)p 3.68( 78.56%)d 0.00( 0.08%) 0.0002 -0.4619 0.0167 0.0007 0.8140 -0.0197 -0.0005 -0.2641 -0.0036 0.0008 -0.2297 -0.0029 0.0002 0.0111 0.0009 0.0103 0.0015 -0.0025 -0.0003 -0.0200 -0.0040 0.0119 0.0020 ( 39.20%) 0.6261* H 82 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0013 -0.0009 -0.0133 0.0034 0.0025 95. (1.97184) BD ( 1) C 81 - C 112 ( 50.84%) 0.7130* C 81 s( 25.86%)p 2.87( 74.10%)d 0.00( 0.04%) 0.0002 0.5084 0.0091 0.0001 0.4016 -0.0110 0.0017 0.6678 0.0181 0.0014 -0.3653 0.0022 -0.0020 0.0120 0.0017 -0.0076 0.0015 -0.0116 0.0019 -0.0052 0.0014 -0.0042 0.0008 ( 49.16%) 0.7011* C 112 s( 30.32%)p 2.30( 69.62%)d 0.00( 0.06%) 0.0006 0.5506 0.0054 0.0015 -0.3719 0.0014 -0.0030 -0.6621 -0.0062 0.0025 0.3455 -0.0098 -0.0018 0.0152 0.0003 -0.0078 -0.0002 -0.0134 -0.0005 -0.0105 0.0003 -0.0060 -0.0001 96. (1.96923) BD ( 1) C 81 - C 116 ( 50.76%) 0.7124* C 81 s( 25.31%)p 2.95( 74.65%)d 0.00( 0.04%) 0.0002 0.5030 0.0082 0.0001 0.4118 -0.0114 0.0008 -0.2364 0.0062 -0.0014 0.7215 0.0190 0.0020 -0.0062 0.0006 0.0129 0.0009 -0.0080 0.0012 0.0020 -0.0024 0.0094 -0.0020 ( 49.24%) 0.7017* C 116 s( 30.65%)p 2.26( 69.28%)d 0.00( 0.07%) 0.0006 0.5536 0.0059 0.0016 -0.3839 0.0044 -0.0006 0.2268 -0.0069 0.0001 -0.7027 -0.0074 0.0035 -0.0056 0.0005 0.0170 -0.0005 -0.0101 0.0001 0.0017 0.0006 0.0167 -0.0017 97. (1.96773) BD ( 1) C 83 - C 84 ( 49.26%) 0.7018* C 83 s( 37.30%)p 1.68( 62.62%)d 0.00( 0.08%) -0.0003 0.6104 0.0205 0.0003 0.3285 0.0202 -0.0005 0.1319 -0.0042 0.0027 -0.7071 -0.0217 -0.0007 0.0040 0.0021 -0.0132 -0.0051 -0.0149 -0.0021 -0.0110 0.0056 0.0133 0.0080 ( 50.74%) 0.7123* C 84 s( 35.84%)p 1.79( 64.09%)d 0.00( 0.07%) -0.0001 0.5985 0.0133 -0.0010 -0.2801 0.0114 -0.0013 -0.2173 -0.0153 0.0001 0.7175 0.0009 0.0018 0.0024 -0.0022 -0.0164 -0.0025 -0.0048 0.0059 -0.0018 -0.0058 0.0170 -0.0024 98. (1.64627) BD ( 2) C 83 - C 84 ( 54.47%) 0.7381* C 83 s( 0.04%)p99.99( 99.93%)d 0.57( 0.03%) -0.0008 0.0146 -0.0152 0.0001 -0.9006 -0.0225 -0.0014 -0.0899 0.0102 -0.0013 -0.4238 -0.0023 -0.0002 -0.0005 -0.0064 0.0117 0.0034 -0.0011 -0.0020 0.0039 -0.0031 0.0037 0.0048 ( 45.53%) 0.6747* C 84 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0005 0.0029 -0.0015 -0.0003 -0.9248 -0.0158 0.0004 -0.0452 0.0080 0.0003 -0.3766 -0.0142 0.0011 -0.0040 -0.0018 -0.0100 0.0036 -0.0015 0.0012 0.0085 0.0008 -0.0102 0.0028 99. (1.96671) BD ( 1) C 83 - C 91 ( 49.20%) 0.7014* C 83 s( 36.19%)p 1.76( 63.71%)d 0.00( 0.09%) -0.0002 0.6013 0.0193 0.0004 -0.2789 -0.0093 0.0002 0.5609 0.0170 0.0022 0.4939 0.0215 -0.0012 -0.0115 -0.0043 -0.0130 -0.0013 0.0075 0.0108 -0.0209 0.0010 -0.0038 0.0005 ( 50.80%) 0.7128* C 91 s( 35.53%)p 1.81( 64.39%)d 0.00( 0.08%) 0.0000 0.5959 0.0131 -0.0011 0.2774 0.0019 0.0008 -0.6057 -0.0082 -0.0013 -0.4470 0.0142 -0.0014 -0.0107 0.0020 -0.0141 -0.0064 0.0153 -0.0052 -0.0101 -0.0031 0.0040 0.0051 100. (1.96385) BD ( 1) C 84 - C 85 ( 50.33%) 0.7094* C 84 s( 32.40%)p 2.08( 67.52%)d 0.00( 0.08%) -0.0003 0.5692 0.0061 0.0012 0.0509 0.0074 0.0004 0.7912 0.0068 0.0011 -0.2155 -0.0107 -0.0007 -0.0001 -0.0036 -0.0049 -0.0055 -0.0057 0.0069 -0.0234 -0.0005 -0.0080 0.0056 ( 49.67%) 0.7048* C 85 s( 36.68%)p 1.72( 63.24%)d 0.00( 0.08%) 0.0002 0.6056 0.0037 -0.0010 -0.0576 0.0087 -0.0004 -0.7690 -0.0034 0.0002 0.1936 -0.0150 0.0009 0.0031 0.0015 -0.0098 0.0048 -0.0112 -0.0039 -0.0212 -0.0028 -0.0018 -0.0062 101. (1.96535) BD ( 1) C 84 - C 92 ( 50.90%) 0.7135* C 84 s( 31.70%)p 2.15( 68.27%)d 0.00( 0.04%) -0.0001 0.5629 -0.0140 -0.0001 0.2508 -0.0042 -0.0004 -0.5688 0.0162 -0.0001 -0.5436 0.0214 0.0001 -0.0026 0.0039 -0.0093 -0.0027 0.0083 -0.0080 -0.0055 -0.0021 0.0079 0.0026 ( 49.10%) 0.7007* C 92 s( 27.20%)p 2.67( 72.74%)d 0.00( 0.07%) 0.0002 0.5215 0.0039 0.0005 -0.2417 0.0035 0.0003 0.5712 -0.0006 0.0005 0.5854 0.0029 -0.0005 -0.0084 -0.0013 -0.0088 0.0008 0.0203 0.0028 -0.0076 0.0002 0.0060 -0.0009 102. (1.97582) BD ( 1) C 85 - H 86 ( 60.27%) 0.7763* C 85 s( 27.17%)p 2.68( 72.78%)d 0.00( 0.05%) 0.0005 -0.5208 0.0210 0.0003 -0.3414 0.0048 0.0021 -0.1938 -0.0102 0.0022 0.7572 -0.0111 -0.0046 -0.0020 -0.0021 0.0147 0.0016 0.0058 0.0035 0.0020 -0.0053 -0.0146 -0.0048 ( 39.73%) 0.6303* H 86 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0021 -0.0015 0.0059 0.0027 -0.0131 103. (1.97694) BD ( 1) C 85 - C 87 ( 50.22%) 0.7086* C 85 s( 36.01%)p 1.77( 63.91%)d 0.00( 0.08%) 0.0001 0.5997 0.0203 0.0014 -0.2314 0.0093 -0.0009 0.6071 0.0388 0.0005 0.4634 -0.0241 0.0017 -0.0080 -0.0036 -0.0164 0.0029 0.0137 0.0082 -0.0120 0.0003 0.0085 -0.0033 ( 49.78%) 0.7056* C 87 s( 36.28%)p 1.75( 63.64%)d 0.00( 0.08%) 0.0001 0.6022 0.0125 0.0003 0.2685 -0.0161 -0.0006 -0.5593 -0.0217 -0.0017 -0.4996 0.0346 0.0010 -0.0079 -0.0035 -0.0116 0.0016 0.0138 0.0074 -0.0185 0.0031 -0.0004 -0.0001 104. (1.67026) BD ( 2) C 85 - C 87 ( 51.10%) 0.7149* C 85 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.02%) 0.0000 -0.0040 0.0021 -0.0001 0.9088 -0.0029 0.0049 0.0333 -0.0003 0.0001 0.4155 -0.0007 0.0020 0.0010 0.0043 0.0095 0.0022 0.0011 0.0023 -0.0062 -0.0013 0.0089 0.0026 ( 48.90%) 0.6993* C 87 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 -0.0006 0.0020 0.0005 0.8989 0.0048 0.0064 0.0417 -0.0003 -0.0001 0.4358 0.0015 0.0035 -0.0136 -0.0039 -0.0029 -0.0015 -0.0065 -0.0020 0.0017 0.0018 -0.0018 -0.0020 105. (1.97907) BD ( 1) C 87 - H 88 ( 60.19%) 0.7758* C 87 s( 27.54%)p 2.63( 72.41%)d 0.00( 0.05%) -0.0004 0.5243 -0.0204 -0.0003 0.0778 0.0007 -0.0009 0.8133 0.0134 -0.0063 -0.2375 -0.0040 0.0017 0.0022 0.0018 -0.0032 0.0034 -0.0097 -0.0034 -0.0184 -0.0023 -0.0068 -0.0042 ( 39.81%) 0.6309* H 88 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0003 0.0013 -0.0014 -0.0150 0.0044 106. (1.97643) BD ( 1) C 87 - C 89 ( 49.78%) 0.7055* C 87 s( 36.04%)p 1.77( 63.88%)d 0.00( 0.08%) 0.0001 0.6002 0.0112 0.0002 -0.3364 0.0080 0.0002 -0.1473 -0.0390 -0.0021 0.7086 -0.0167 0.0000 0.0046 0.0013 -0.0183 -0.0011 -0.0115 -0.0014 -0.0073 0.0071 0.0129 0.0049 ( 50.22%) 0.7087* C 89 s( 35.70%)p 1.80( 64.22%)d 0.00( 0.08%) 0.0001 0.5972 0.0190 0.0014 0.3316 0.0009 0.0006 0.2165 0.0455 -0.0006 -0.6952 0.0008 -0.0014 -0.0005 0.0034 -0.0213 -0.0007 -0.0010 -0.0057 -0.0049 0.0060 0.0161 0.0046 107. (1.97643) BD ( 1) C 89 - H 90 ( 60.34%) 0.7768* C 89 s( 27.28%)p 2.66( 72.67%)d 0.00( 0.05%) -0.0005 0.5219 -0.0207 -0.0004 -0.2840 0.0068 0.0013 0.6235 0.0013 -0.0047 0.5069 -0.0129 -0.0031 -0.0082 -0.0035 -0.0101 0.0011 0.0132 0.0076 -0.0101 0.0007 0.0026 -0.0014 ( 39.66%) 0.6297* H 90 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0018 0.0014 0.0052 -0.0103 -0.0090 108. (1.96623) BD ( 1) C 89 - C 91 ( 49.64%) 0.7046* C 89 s( 36.88%)p 1.71( 63.05%)d 0.00( 0.07%) 0.0001 0.6073 0.0050 -0.0009 -0.0891 -0.0068 0.0007 -0.7492 0.0063 -0.0008 0.2467 0.0164 -0.0005 -0.0001 0.0025 -0.0084 0.0044 -0.0051 -0.0053 -0.0230 -0.0030 -0.0053 -0.0055 ( 50.36%) 0.7096* C 91 s( 33.16%)p 2.01( 66.76%)d 0.00( 0.08%) -0.0002 0.5758 0.0048 0.0015 0.0606 -0.0023 0.0004 0.7765 0.0114 0.0020 -0.2464 0.0087 0.0000 0.0046 -0.0006 -0.0076 -0.0080 -0.0133 0.0022 -0.0200 0.0013 -0.0042 0.0075 109. (1.65584) BD ( 2) C 89 - C 91 ( 51.77%) 0.7195* C 89 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0001 0.0041 0.0033 0.0005 0.8948 0.0001 0.0053 0.0432 0.0002 -0.0009 0.4440 -0.0016 0.0030 -0.0153 -0.0022 -0.0014 0.0000 -0.0069 -0.0013 0.0012 0.0007 -0.0014 -0.0004 ( 48.23%) 0.6945* C 91 s( 0.01%)p99.99( 99.95%)d 2.41( 0.03%) 0.0000 -0.0098 0.0061 -0.0001 0.8950 0.0047 -0.0001 0.0767 -0.0010 0.0008 0.4388 -0.0023 -0.0004 0.0108 -0.0044 -0.0088 -0.0007 0.0047 -0.0021 0.0037 0.0003 -0.0081 -0.0003 110. (1.96545) BD ( 1) C 91 - C 102 ( 50.76%) 0.7125* C 91 s( 31.23%)p 2.20( 68.73%)d 0.00( 0.04%) 0.0000 0.5587 -0.0142 -0.0003 -0.3429 0.0096 -0.0003 -0.1530 0.0062 -0.0004 0.7385 -0.0270 -0.0005 -0.0009 -0.0028 -0.0120 -0.0001 0.0004 0.0039 -0.0035 -0.0079 0.0118 -0.0033 ( 49.24%) 0.7017* C 102 s( 27.34%)p 2.66( 72.60%)d 0.00( 0.06%) 0.0003 0.5228 0.0020 0.0005 0.3345 -0.0059 -0.0005 0.1510 -0.0009 0.0017 -0.7690 0.0005 -0.0002 0.0029 0.0002 -0.0156 -0.0002 -0.0062 -0.0019 0.0036 0.0029 0.0174 0.0005 111. (1.95350) BD ( 1) C 92 - H 93 ( 61.57%) 0.7847* C 92 s( 22.44%)p 3.45( 77.48%)d 0.00( 0.08%) 0.0003 -0.4734 0.0162 0.0006 0.1595 -0.0150 0.0014 0.8103 -0.0088 -0.0008 -0.3037 0.0171 -0.0003 -0.0097 -0.0027 0.0042 0.0012 0.0172 0.0022 0.0185 0.0017 0.0066 -0.0005 ( 38.43%) 0.6199* H 93 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0011 -0.0009 -0.0019 -0.0114 0.0069 112. (1.96768) BD ( 1) C 92 - C 94 ( 51.23%) 0.7158* C 92 s( 25.34%)p 2.94( 74.61%)d 0.00( 0.04%) 0.0002 0.5033 0.0096 0.0001 0.8454 0.0086 0.0020 0.0659 -0.0181 0.0015 -0.1636 0.0008 -0.0003 0.0043 0.0013 -0.0062 -0.0009 -0.0015 0.0004 0.0161 -0.0004 -0.0093 0.0025 ( 48.77%) 0.6983* C 94 s( 30.05%)p 2.33( 69.90%)d 0.00( 0.06%) 0.0006 0.5481 0.0056 0.0016 -0.8180 0.0020 0.0025 -0.0438 0.0063 -0.0028 0.1669 0.0069 0.0030 0.0006 0.0007 -0.0082 -0.0004 0.0007 -0.0003 0.0198 0.0006 -0.0109 -0.0002 113. (1.96999) BD ( 1) C 92 - C 98 ( 50.83%) 0.7130* C 92 s( 25.01%)p 3.00( 74.95%)d 0.00( 0.04%) 0.0001 0.5001 0.0065 0.0001 -0.4480 -0.0031 -0.0011 0.1053 -0.0165 0.0007 -0.7330 -0.0098 -0.0020 -0.0028 -0.0013 0.0148 -0.0028 -0.0048 0.0003 0.0039 0.0005 0.0100 0.0002 ( 49.17%) 0.7012* C 98 s( 30.05%)p 2.33( 69.88%)d 0.00( 0.07%) 0.0005 0.5482 0.0011 0.0016 0.4293 -0.0097 -0.0025 -0.0766 0.0028 -0.0013 0.7131 0.0060 -0.0010 -0.0016 -0.0002 0.0194 0.0000 -0.0018 -0.0007 0.0052 0.0004 0.0157 -0.0004 114. (1.98729) BD ( 1) C 94 - H 95 ( 59.40%) 0.7707* C 94 s( 22.76%)p 3.39( 77.14%)d 0.00( 0.09%) -0.0001 0.4771 -0.0035 -0.0007 0.2146 -0.0159 0.0030 0.7956 0.0036 0.0027 -0.3036 0.0014 -0.0020 0.0049 0.0046 -0.0021 -0.0014 -0.0150 -0.0016 -0.0239 0.0006 -0.0089 -0.0008 ( 40.60%) 0.6372* H 95 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0016 0.0005 -0.0044 -0.0138 0.0053 115. (1.98512) BD ( 1) C 94 - H 96 ( 59.85%) 0.7736* C 94 s( 22.55%)p 3.43( 77.37%)d 0.00( 0.09%) -0.0001 0.4748 0.0009 -0.0005 0.2221 -0.0126 0.0015 -0.5817 -0.0045 -0.0015 -0.6211 -0.0057 -0.0025 -0.0032 -0.0038 -0.0043 -0.0026 0.0249 0.0004 -0.0129 0.0004 0.0073 0.0010 ( 40.15%) 0.6336* H 96 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0011 0.0004 -0.0043 0.0106 0.0112 116. (1.98630) BD ( 1) C 94 - H 97 ( 60.67%) 0.7789* C 94 s( 24.60%)p 3.06( 75.31%)d 0.00( 0.09%) 0.0000 0.4960 -0.0014 -0.0002 0.4840 -0.0142 -0.0043 -0.1601 0.0010 0.0011 0.7020 0.0127 -0.0030 -0.0044 -0.0011 0.0212 0.0026 -0.0082 -0.0003 0.0061 -0.0005 0.0172 -0.0003 ( 39.33%) 0.6271* H 97 s( 99.99%)p 0.00( 0.01%) 0.9999 0.0004 0.0003 -0.0072 0.0032 -0.0094 117. (1.97473) BD ( 1) C 98 - H 99 ( 60.17%) 0.7757* C 98 s( 24.16%)p 3.13( 75.73%)d 0.00( 0.10%) 0.0001 -0.4915 0.0026 0.0006 0.8580 0.0054 0.0015 0.0578 0.0033 -0.0010 -0.1329 -0.0142 0.0026 -0.0035 -0.0006 0.0147 -0.0016 0.0000 0.0006 -0.0220 -0.0031 0.0172 -0.0019 ( 39.83%) 0.6311* H 99 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0002 -0.0003 -0.0144 -0.0011 0.0026 118. (1.98463) BD ( 1) C 98 - H 100 ( 59.86%) 0.7737* C 98 s( 22.66%)p 3.41( 77.26%)d 0.00( 0.09%) 0.0001 -0.4760 -0.0021 0.0004 -0.2268 -0.0087 -0.0006 0.6296 0.0043 -0.0010 0.5696 -0.0089 0.0015 0.0119 -0.0002 0.0107 0.0002 -0.0206 -0.0036 0.0131 0.0001 0.0023 -0.0028 ( 40.14%) 0.6336* H 100 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0012 -0.0004 0.0035 -0.0113 -0.0111 119. (1.98793) BD ( 1) C 98 - H 101 ( 59.63%) 0.7722* C 98 s( 23.08%)p 3.33( 76.84%)d 0.00( 0.09%) 0.0000 0.4804 0.0010 -0.0005 0.1638 0.0100 -0.0002 0.7703 0.0011 0.0003 -0.3846 0.0139 -0.0016 0.0111 -0.0007 -0.0066 0.0007 -0.0146 -0.0045 -0.0196 -0.0015 -0.0098 0.0010 ( 40.37%) 0.6354* H 101 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0018 0.0006 -0.0024 -0.0139 0.0079 120. (1.95279) BD ( 1) C 102 - H 103 ( 61.22%) 0.7825* C 102 s( 21.33%)p 3.68( 78.58%)d 0.00( 0.09%) 0.0002 -0.4615 0.0177 0.0006 0.2040 0.0016 0.0001 0.8606 -0.0173 -0.0001 -0.0556 -0.0113 0.0005 -0.0099 -0.0006 0.0004 0.0001 -0.0009 -0.0023 0.0230 0.0039 0.0149 0.0027 ( 38.78%) 0.6227* H 103 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0015 -0.0015 -0.0027 -0.0131 -0.0003 121. (1.97390) BD ( 1) C 102 - C 104 ( 50.86%) 0.7132* C 102 s( 26.06%)p 2.84( 73.90%)d 0.00( 0.04%) 0.0002 0.5104 0.0097 0.0002 -0.7207 -0.0136 -0.0007 0.4519 -0.0155 0.0014 0.1222 0.0091 -0.0003 -0.0152 0.0000 -0.0026 0.0003 0.0018 0.0009 0.0062 -0.0013 -0.0097 0.0028 ( 49.14%) 0.7010* C 104 s( 30.29%)p 2.30( 69.65%)d 0.00( 0.06%) 0.0005 0.5504 0.0043 0.0017 0.7142 -0.0006 -0.0031 -0.4103 0.0033 -0.0013 -0.1340 -0.0115 -0.0020 -0.0172 -0.0007 -0.0068 0.0002 0.0029 0.0003 0.0113 -0.0004 -0.0108 -0.0002 122. (1.96625) BD ( 1) C 102 - C 108 ( 50.89%) 0.7134* C 102 s( 25.27%)p 2.96( 74.70%)d 0.00( 0.04%) 0.0002 0.5026 0.0093 0.0000 0.5714 -0.0003 0.0018 0.1740 -0.0136 0.0013 0.6243 0.0186 0.0015 0.0057 -0.0001 0.0155 -0.0037 0.0049 0.0007 0.0073 0.0015 0.0040 0.0007 ( 49.11%) 0.7008* C 108 s( 30.44%)p 2.28( 69.49%)d 0.00( 0.07%) 0.0006 0.5516 0.0065 0.0016 -0.5586 0.0053 0.0023 -0.1616 0.0051 -0.0019 -0.5972 -0.0079 0.0025 0.0053 0.0000 0.0216 -0.0002 0.0059 -0.0001 0.0095 -0.0001 0.0088 -0.0010 123. (1.98757) BD ( 1) C 104 - H 105 ( 59.54%) 0.7716* C 104 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 0.4800 -0.0014 -0.0007 0.1347 0.0153 -0.0014 0.8654 -0.0037 0.0035 0.0374 -0.0031 0.0011 0.0139 -0.0028 -0.0001 0.0003 -0.0003 0.0015 -0.0226 -0.0029 -0.0125 -0.0020 ( 40.46%) 0.6361* H 105 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0019 0.0006 -0.0014 -0.0158 -0.0011 124. (1.98514) BD ( 1) C 104 - H 106 ( 60.03%) 0.7748* C 104 s( 22.59%)p 3.42( 77.32%)d 0.00( 0.09%) 0.0001 -0.4753 -0.0005 0.0005 0.3604 -0.0093 0.0015 0.2407 0.0083 0.0002 -0.7650 -0.0063 -0.0031 -0.0059 -0.0012 0.0139 0.0028 0.0158 -0.0013 0.0018 -0.0023 -0.0196 -0.0007 ( 39.97%) 0.6322* H 106 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0008 -0.0004 -0.0061 -0.0042 0.0136 125. (1.98321) BD ( 1) C 104 - H 107 ( 60.11%) 0.7753* C 104 s( 24.03%)p 3.16( 75.88%)d 0.00( 0.09%) 0.0000 -0.4902 0.0023 0.0004 0.5837 -0.0114 -0.0046 0.1539 0.0091 -0.0001 0.6278 0.0112 -0.0022 -0.0060 -0.0015 -0.0242 -0.0018 -0.0088 0.0011 -0.0088 -0.0010 -0.0100 -0.0004 ( 39.89%) 0.6316* H 107 s( 99.99%)p 0.00( 0.01%) -0.9999 -0.0008 -0.0003 -0.0085 -0.0016 -0.0082 126. (1.98543) BD ( 1) C 108 - H 109 ( 59.93%) 0.7741* C 108 s( 23.66%)p 3.22( 76.24%)d 0.00( 0.11%) -0.0001 0.4864 -0.0022 -0.0004 0.7158 -0.0013 0.0011 -0.4920 -0.0062 -0.0007 -0.0879 -0.0109 0.0040 -0.0252 -0.0010 -0.0125 0.0036 0.0036 0.0011 0.0065 0.0013 -0.0149 -0.0001 ( 40.07%) 0.6330* H 109 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0006 0.0003 -0.0101 0.0070 0.0028 127. (1.98541) BD ( 1) C 108 - H 110 ( 59.76%) 0.7730* C 108 s( 22.83%)p 3.38( 77.08%)d 0.00( 0.09%) -0.0001 0.4778 0.0014 -0.0004 -0.3346 -0.0132 0.0006 -0.1568 -0.0025 -0.0002 0.7963 -0.0038 0.0004 0.0057 -0.0016 -0.0216 -0.0002 -0.0089 -0.0007 0.0051 -0.0014 0.0159 0.0045 ( 40.24%) 0.6344* H 110 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0014 0.0003 0.0064 0.0028 -0.0148 128. (1.98789) BD ( 1) C 108 - H 111 ( 59.58%) 0.7719* C 108 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 0.4799 -0.0044 -0.0006 0.2492 -0.0106 0.0013 0.8402 0.0009 0.0016 -0.0178 -0.0134 0.0011 0.0093 0.0039 -0.0031 0.0010 -0.0068 0.0028 -0.0238 -0.0010 -0.0139 -0.0022 ( 40.42%) 0.6358* H 111 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0019 0.0005 -0.0049 -0.0147 0.0010 129. (1.98592) BD ( 1) C 112 - H 113 ( 59.76%) 0.7730* C 112 s( 22.69%)p 3.40( 77.22%)d 0.00( 0.09%) -0.0001 0.4764 0.0007 -0.0005 0.0842 -0.0038 0.0007 0.6523 -0.0059 0.0025 0.5826 0.0131 0.0016 0.0009 0.0009 0.0010 0.0021 0.0255 0.0016 -0.0103 -0.0023 0.0105 -0.0028 ( 40.24%) 0.6344* H 113 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0012 0.0004 -0.0016 -0.0117 -0.0106 130. (1.98588) BD ( 1) C 112 - H 114 ( 60.40%) 0.7772* C 112 s( 23.97%)p 3.17( 75.94%)d 0.00( 0.09%) 0.0001 -0.4896 0.0020 0.0003 0.4523 0.0109 -0.0014 -0.3069 0.0139 0.0034 0.6784 0.0011 -0.0039 0.0078 0.0024 -0.0226 -0.0007 0.0122 0.0008 -0.0060 0.0003 -0.0116 -0.0011 ( 39.60%) 0.6293* H 114 s( 99.99%)p 0.00( 0.01%) -0.9999 -0.0006 -0.0003 -0.0062 0.0049 -0.0092 131. (1.98764) BD ( 1) C 112 - H 115 ( 59.50%) 0.7714* C 112 s( 22.97%)p 3.35( 76.94%)d 0.00( 0.09%) 0.0000 0.4793 -0.0030 -0.0007 0.8054 -0.0030 0.0042 -0.2017 -0.0142 0.0020 -0.2824 0.0055 -0.0014 -0.0167 0.0023 -0.0121 -0.0027 0.0074 -0.0012 0.0177 0.0031 -0.0106 -0.0004 ( 40.50%) 0.6364* H 115 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0018 0.0005 -0.0143 0.0027 0.0051 132. (1.98740) BD ( 1) C 116 - H 117 ( 59.97%) 0.7744* C 116 s( 23.30%)p 3.29( 76.62%)d 0.00( 0.09%) 0.0001 -0.4827 0.0020 0.0004 0.4144 0.0106 0.0001 0.6637 0.0028 0.0002 -0.3920 0.0101 -0.0016 -0.0212 0.0003 0.0102 0.0016 0.0121 0.0037 0.0063 0.0026 0.0108 -0.0025 ( 40.03%) 0.6327* H 117 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0008 -0.0002 -0.0078 -0.0118 0.0061 133. (1.98574) BD ( 1) C 116 - H 118 ( 59.66%) 0.7724* C 116 s( 22.86%)p 3.37( 77.05%)d 0.00( 0.09%) -0.0001 0.4781 0.0003 -0.0004 0.0336 -0.0046 0.0003 0.6646 0.0106 -0.0004 0.5722 -0.0090 0.0007 -0.0011 0.0021 -0.0015 0.0011 0.0233 0.0029 -0.0181 0.0011 -0.0019 0.0030 ( 40.34%) 0.6352* H 118 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0013 0.0003 -0.0006 -0.0120 -0.0101 134. (1.98772) BD ( 1) C 116 - H 119 ( 59.57%) 0.7718* C 116 s( 23.15%)p 3.32( 76.76%)d 0.00( 0.09%) 0.0000 0.4811 -0.0030 -0.0006 0.8237 -0.0036 0.0019 -0.2553 0.0045 -0.0003 -0.1539 -0.0164 0.0015 -0.0115 -0.0026 -0.0149 0.0025 0.0052 -0.0010 0.0192 0.0022 -0.0118 -0.0023 ( 40.43%) 0.6358* H 119 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0018 0.0005 -0.0144 0.0052 0.0027 135. (2.00000) CR ( 1)As 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 136. (2.00000) CR ( 2)As 1 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 137. (1.99830) CR ( 3)As 1 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 0.0010 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0009 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 138. (2.00000) CR ( 4)As 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 139. (1.99974) CR ( 5)As 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 140. (2.00000) CR ( 6)As 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 141. (1.99976) CR ( 7)As 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 142. (2.00000) CR ( 8)As 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 143. (1.99983) CR ( 9)As 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 144. (1.99952) CR (10)As 1 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 145. (1.99968) CR (11)As 1 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 146. (1.99962) CR (12)As 1 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 147. (1.99941) CR (13)As 1 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 148. (1.99972) CR (14)As 1 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0000 0.0000 0.0000 149. (2.00000) CR ( 1)As 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 150. (2.00000) CR ( 2)As 2 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 151. (1.99829) CR ( 3)As 2 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 0.0009 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0009 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 152. (2.00000) CR ( 4)As 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 153. (1.99973) CR ( 5)As 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 154. (2.00000) CR ( 6)As 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 155. (1.99977) CR ( 7)As 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 156. (2.00000) CR ( 8)As 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 157. (1.99982) CR ( 9)As 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 158. (1.99952) CR (10)As 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 159. (1.99967) CR (11)As 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 160. (1.99961) CR (12)As 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 161. (1.99939) CR (13)As 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 162. (1.99971) CR (14)As 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0000 0.0000 0.0000 163. (2.00000) CR ( 1)Ge 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 164. (2.00000) CR ( 2)Ge 3 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 165. (1.99951) CR ( 3)Ge 3 s(100.00%)p 0.00( 0.00%) 0.0000 0.0000 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 166. (2.00000) CR ( 4)Ge 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 167. (1.99991) CR ( 5)Ge 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 168. (2.00000) CR ( 6)Ge 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 169. (1.99983) CR ( 7)Ge 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 -0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 170. (2.00000) CR ( 8)Ge 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 171. (1.99990) CR ( 9)Ge 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 172. (1.99970) CR (10)Ge 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0006 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0015 0.0001 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 173. (1.99957) CR (11)Ge 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 174. (1.99982) CR (12)Ge 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 175. (1.99978) CR (13)Ge 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 -0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0010 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 176. (1.99977) CR (14)Ge 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -1.0000 0.0000 0.0000 0.0000 177. (1.99872) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 178. (1.99882) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 179. (1.99897) CR ( 1) C 6 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0003 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 180. (1.99906) CR ( 1) C 8 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 181. (1.99895) CR ( 1) C 10 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0004 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 182. (1.99882) CR ( 1) C 12 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 183. (1.99912) CR ( 1) C 13 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0003 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 184. (1.99926) CR ( 1) C 15 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0005 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 185. (1.99928) CR ( 1) C 19 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 186. (1.99910) CR ( 1) C 23 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0003 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 187. (1.99928) CR ( 1) C 25 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 -0.0004 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 188. (1.99926) CR ( 1) C 29 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 189. (1.99865) CR ( 1) C 33 s(100.00%)p 0.00( 0.00%) 1.0000 0.0008 0.0000 0.0000 0.0009 0.0000 0.0000 0.0006 -0.0001 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 190. (1.99872) CR ( 1) C 34 s(100.00%)p 0.00( 0.00%) 1.0000 0.0004 0.0000 0.0000 0.0005 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 191. (1.99894) CR ( 1) C 35 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0002 0.0000 0.0000 -0.0002 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 192. (1.99906) CR ( 1) C 37 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 193. (1.99894) CR ( 1) C 39 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 194. (1.99877) CR ( 1) C 41 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 195. (1.99907) CR ( 1) C 42 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0004 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 196. (1.99924) CR ( 1) C 44 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0003 0.0000 0.0000 -0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 197. (1.99929) CR ( 1) C 48 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 0.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 198. (1.99910) CR ( 1) C 52 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0003 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 199. (1.99926) CR ( 1) C 54 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0004 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 200. (1.99925) CR ( 1) C 58 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0003 0.0000 0.0000 -0.0004 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 201. (1.99871) CR ( 1) C 62 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 202. (1.99882) CR ( 1) C 63 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 203. (1.99897) CR ( 1) C 64 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0003 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 204. (1.99906) CR ( 1) C 66 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0003 0.0000 0.0000 -0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 205. (1.99896) CR ( 1) C 68 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0004 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 206. (1.99882) CR ( 1) C 70 s(100.00%)p 0.00( 0.00%) 1.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 207. (1.99912) CR ( 1) C 71 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 208. (1.99926) CR ( 1) C 73 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0005 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 209. (1.99929) CR ( 1) C 77 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 210. (1.99909) CR ( 1) C 81 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0003 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 211. (1.99865) CR ( 1) C 83 s(100.00%)p 0.00( 0.00%) 1.0000 0.0007 0.0000 0.0000 -0.0007 0.0000 0.0000 -0.0005 0.0001 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 212. (1.99874) CR ( 1) C 84 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0001 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 213. (1.99895) CR ( 1) C 85 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0002 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 214. (1.99905) CR ( 1) C 87 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0004 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 215. (1.99894) CR ( 1) C 89 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0004 0.0000 0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 216. (1.99878) CR ( 1) C 91 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 217. (1.99908) CR ( 1) C 92 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 218. (1.99924) CR ( 1) C 94 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0003 0.0000 0.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 219. (1.99929) CR ( 1) C 98 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 220. (1.99910) CR ( 1) C 102 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0003 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 221. (1.99926) CR ( 1) C 104 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 -0.0004 0.0000 0.0000 0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 222. (1.99925) CR ( 1) C 108 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0004 0.0000 0.0000 0.0001 0.0000 0.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 223. (1.99925) CR ( 1) C 112 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0002 0.0000 0.0000 0.0005 0.0000 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 224. (1.99926) CR ( 1) C 116 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0002 0.0000 0.0000 0.0002 0.0000 0.0000 -0.0001 0.0000 0.0000 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 225. (1.92024) LP ( 1)As 1 s( 65.29%)p 0.53( 34.58%)d 0.00( 0.13%) 0.0000 0.0000 -0.0008 0.8080 -0.0019 0.0008 -0.0001 0.0000 0.0000 0.0001 0.0761 -0.0038 0.0000 -0.0001 0.0000 0.0000 0.0001 0.0780 -0.0021 0.0001 0.0002 0.0000 0.0000 0.0001 0.5777 -0.0094 -0.0011 -0.0008 0.0000 0.0001 0.0061 0.0029 0.0002 0.0000 0.0030 -0.0056 0.0009 0.0002 -0.0159 0.0000 0.0003 0.0002 -0.0008 -0.0001 -0.0004 0.0006 -0.0311 0.0031 0.0003 226. (1.91910) LP ( 1)As 2 s( 64.33%)p 0.55( 35.52%)d 0.00( 0.15%) 0.0000 0.0000 -0.0007 0.8021 -0.0015 0.0007 -0.0001 0.0000 0.0000 -0.0001 -0.0876 0.0053 -0.0003 0.0000 0.0000 0.0000 -0.0001 -0.0640 0.0019 -0.0002 -0.0001 0.0000 0.0000 0.0001 0.5859 -0.0096 -0.0008 -0.0010 0.0000 0.0001 0.0068 0.0026 0.0001 -0.0001 -0.0042 0.0061 -0.0010 -0.0001 0.0157 0.0004 -0.0005 0.0002 -0.0021 0.0001 -0.0007 0.0006 -0.0331 0.0031 0.0005 227. (1.96857) LP ( 1)Ge 3 s( 91.79%)p 0.09( 8.20%)d 0.00( 0.01%) 0.0000 0.0000 0.0002 0.9580 0.0096 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0002 -0.0010 -0.0003 -0.0001 0.0000 0.0000 0.0000 -0.0018 -0.0015 0.0000 0.0000 0.0000 0.0000 -0.0001 -0.2863 0.0055 0.0042 -0.0002 0.0000 -0.0002 -0.0007 -0.0013 0.0014 0.0000 0.0003 0.0003 -0.0001 0.0000 -0.0002 -0.0003 -0.0001 -0.0002 -0.0020 0.0044 -0.0009 0.0001 -0.0049 -0.0029 -0.0016 228. (0.20885) LP*( 2)Ge 3 s( 0.02%)p99.99( 99.85%)d 6.06( 0.13%) 0.0000 0.0000 0.0000 0.0129 -0.0069 0.0002 0.0000 0.0000 0.0000 0.0000 -0.5191 0.0779 -0.0141 -0.0005 0.0000 0.0000 0.0000 -0.8480 0.0348 -0.0046 0.0010 0.0000 0.0000 0.0000 0.0482 -0.0088 -0.0013 -0.0002 0.0000 0.0000 0.0018 0.0001 0.0006 0.0000 -0.0192 0.0136 -0.0027 0.0000 -0.0263 0.0066 -0.0010 0.0000 0.0018 0.0007 -0.0005 0.0000 0.0011 0.0005 -0.0003 229. (0.00402) RY*( 1)As 1 s( 23.65%)p 1.29( 30.58%)d 1.94( 45.77%) 0.0000 0.0000 0.0000 -0.0069 0.4862 -0.0053 -0.0004 0.0001 0.0000 0.0000 0.0530 0.1821 -0.1329 -0.0084 0.0000 0.0000 0.0000 0.0149 0.4885 -0.0581 -0.0084 -0.0001 0.0000 0.0000 -0.0032 -0.0235 -0.0960 -0.0038 0.0000 0.0000 -0.2465 -0.3149 0.0049 0.0000 0.1147 -0.0167 0.0174 0.0000 0.3475 -0.0074 -0.0148 0.0000 0.0677 0.0442 -0.0048 0.0000 -0.3931 -0.0434 -0.0010 230. (0.00263) RY*( 2)As 1 s( 0.73%)p41.62( 30.34%)d94.54( 68.93%) 0.0000 0.0000 0.0000 0.0070 0.0849 -0.0050 0.0003 0.0000 0.0000 0.0000 0.0181 0.2480 -0.0166 0.0049 0.0000 0.0000 0.0000 0.0255 -0.3263 0.0041 -0.0054 0.0000 0.0000 0.0000 0.0116 0.3637 -0.0419 -0.0064 -0.0001 0.0000 0.2841 -0.1354 -0.0033 0.0000 0.2690 -0.1556 0.0142 0.0000 0.4157 -0.2499 0.0147 0.0000 0.3309 -0.2475 -0.0174 0.0000 0.2463 -0.1621 -0.0034 231. (0.00222) RY*( 3)As 1 s( 15.20%)p 3.79( 57.60%)d 1.79( 27.19%) 0.0000 0.0000 0.0000 -0.0102 0.3897 0.0088 0.0008 -0.0001 0.0000 0.0000 0.0170 -0.5222 0.0154 -0.0032 -0.0002 0.0000 0.0000 0.0058 -0.2392 0.0213 -0.0062 0.0000 0.0000 0.0000 0.0179 0.4884 -0.0775 -0.0147 0.0002 0.0000 -0.2143 -0.0351 0.0003 0.0000 0.0393 -0.0968 0.0069 0.0000 -0.0918 0.0760 0.0055 0.0000 -0.2543 0.1997 -0.0020 0.0000 0.0350 -0.3053 0.0248 232. (0.00159) RY*( 4)As 1 s( 0.77%)p25.19( 19.31%)d99.99( 79.93%) 0.0000 0.0000 0.0000 0.0072 0.0658 0.0573 -0.0002 0.0001 0.0000 0.0000 0.0758 0.1621 -0.1630 0.0352 0.0003 0.0000 0.0000 0.0218 -0.3118 0.1351 0.0260 0.0004 0.0000 0.0000 -0.0480 -0.1170 0.0181 0.0163 -0.0003 0.0000 0.0737 0.2209 -0.0414 0.0000 0.6723 0.2354 -0.0607 0.0000 -0.0803 -0.0786 -0.0056 0.0000 -0.2320 0.2282 -0.0016 0.0000 -0.3198 0.1066 0.0098 233. (0.00139) RY*( 5)As 1 s( 4.75%)p 7.97( 37.88%)d12.07( 57.36%) 0.0000 0.0000 0.0000 -0.0142 0.2150 -0.0332 -0.0012 0.0000 0.0000 0.0000 -0.0233 -0.1303 0.0643 -0.0191 0.0002 0.0000 0.0000 0.0451 -0.5306 -0.0502 -0.0073 0.0001 0.0000 0.0000 -0.0042 -0.2628 -0.0377 0.0127 0.0001 0.0000 -0.0425 0.1041 0.0024 0.0000 -0.3848 0.2368 -0.0065 0.0000 0.1827 0.0190 0.0341 0.0000 0.1999 -0.2714 -0.0230 0.0000 -0.4529 -0.0515 0.0040 234. (0.00117) RY*( 6)As 1 s( 0.04%)p99.99( 57.73%)d99.99( 42.24%) 0.0000 0.0000 0.0000 0.0110 0.0140 0.0062 -0.0001 -0.0001 0.0000 0.0000 -0.0270 0.6487 -0.0767 0.0119 0.0000 0.0000 0.0000 0.0039 -0.1096 -0.0850 -0.0429 0.0002 0.0000 0.0000 -0.0244 0.3533 -0.0559 -0.0014 -0.0001 0.0000 -0.1374 0.1487 0.0132 0.0000 -0.1999 -0.1646 -0.0082 0.0000 -0.3973 0.2530 0.0140 0.0000 -0.0177 -0.0575 -0.0315 0.0000 -0.2190 -0.1947 0.0393 235. (0.00107) RY*( 7)As 1 s( 0.06%)p99.99( 27.35%)d99.99( 72.59%) 0.0000 0.0000 0.0000 -0.0006 0.0194 0.0159 0.0004 0.0000 0.0000 0.0000 0.0095 -0.1679 -0.0292 0.0031 -0.0001 0.0000 0.0000 -0.0588 0.3084 0.1870 -0.0363 0.0002 0.0000 0.0000 0.0013 0.3271 -0.0489 0.0084 0.0000 0.0000 0.0535 0.2258 -0.0472 0.0000 0.0317 0.4618 -0.0602 0.0000 -0.3201 -0.2602 0.0013 0.0000 0.5074 -0.0848 0.0161 0.0000 -0.1196 -0.0487 0.0127 236. (0.00077) RY*( 8)As 1 s( 0.43%)p30.84( 13.39%)d99.99( 86.18%) 0.0000 0.0000 0.0000 -0.0025 0.0658 0.0008 -0.0003 0.0001 0.0000 0.0000 0.0380 -0.2537 0.1150 0.0452 -0.0002 0.0000 0.0000 -0.0125 0.0863 -0.1774 -0.0425 0.0004 0.0000 0.0000 -0.0397 -0.0870 0.0304 -0.0433 0.0006 0.0000 0.5043 -0.2136 0.0318 0.0000 0.2289 -0.3836 0.0147 0.0000 -0.3666 0.1577 0.0369 0.0000 0.0916 -0.2726 -0.0413 0.0000 -0.3398 -0.0212 0.0114 237. (0.00057) RY*( 9)As 1 s( 20.50%)p 1.09( 22.41%)d 2.78( 57.09%) 0.0000 0.0000 0.0000 -0.0066 0.4497 -0.0527 -0.0008 0.0000 0.0000 0.0000 0.0328 0.1061 -0.0850 -0.0116 0.0003 0.0000 0.0000 -0.0023 -0.0912 -0.0045 -0.0652 0.0006 0.0000 0.0000 0.0193 -0.4372 -0.0165 -0.0058 0.0003 0.0000 -0.2038 -0.1055 -0.0060 0.0000 0.1599 0.0915 0.0158 0.0000 -0.3921 0.0332 0.0355 0.0000 0.1627 -0.1852 -0.0062 0.0000 0.4904 -0.1611 -0.0267 238. (0.00042) RY*(10)As 1 s( 6.25%)p 1.30( 8.10%)d13.70( 85.65%) 0.0000 0.0000 0.0000 0.0007 0.2500 -0.0048 -0.0003 0.0004 0.0000 0.0000 0.0028 0.1419 -0.0186 -0.0723 0.0005 0.0000 0.0000 0.0020 0.1637 -0.1315 0.0595 0.0002 0.0000 0.0000 0.0046 -0.0757 0.0419 -0.0109 0.0001 0.0000 0.5992 0.0979 -0.0465 0.0000 -0.2558 0.2898 -0.0316 0.0000 0.0390 -0.1390 -0.0088 0.0000 -0.3602 0.1366 -0.0211 0.0000 0.0906 -0.3933 0.0509 239. (0.00031) RY*(11)As 1 s( 0.20%)p86.64( 16.99%)d99.99( 82.82%) 0.0000 0.0000 0.0000 -0.0013 0.0356 0.0263 0.0000 -0.0002 0.0000 0.0000 0.0043 -0.0808 0.1634 0.0078 0.0004 0.0000 0.0000 0.0286 0.2168 -0.2520 0.0053 -0.0001 0.0000 0.0000 -0.0009 -0.1059 0.1182 -0.0046 -0.0001 0.0000 -0.1801 0.7223 -0.0931 0.0000 0.1979 -0.2526 0.0203 0.0000 0.2030 -0.0087 0.0061 0.0000 0.0011 -0.2274 -0.0601 0.0000 0.0215 -0.2501 0.0473 240. (0.00026) RY*(12)As 1 s( 0.26%)p77.70( 20.11%)d99.99( 79.63%) 0.0000 0.0000 0.0000 0.0028 0.0482 -0.0158 -0.0019 0.0004 0.0000 0.0000 0.0109 0.0078 0.1227 -0.0206 0.0008 0.0000 0.0000 0.0226 0.0670 -0.2917 0.0258 0.0004 0.0000 0.0000 0.0039 0.2554 -0.1711 -0.0142 -0.0007 0.0000 -0.0381 -0.0431 0.0342 0.0000 0.1197 0.3931 -0.0630 0.0000 0.0292 0.1721 0.0250 0.0000 -0.3757 -0.5580 0.0352 0.0000 0.1071 0.3457 -0.0562 241. (0.00018) RY*(13)As 1 s( 20.25%)p 0.77( 15.50%)d 3.17( 64.26%) 0.0000 0.0000 0.0000 0.0005 0.4137 0.1769 0.0040 -0.0004 0.0000 0.0000 -0.0071 0.1035 0.2204 -0.0071 -0.0003 0.0000 0.0000 -0.0034 -0.0098 0.2050 -0.0075 -0.0008 0.0000 0.0000 -0.0049 0.0734 0.2135 -0.0492 0.0005 0.0000 0.0337 0.1489 0.0211 0.0000 -0.1980 -0.2744 0.0167 0.0000 -0.1286 -0.4540 0.0974 0.0000 -0.1461 -0.0383 0.0282 0.0000 0.0047 0.4965 -0.0413 242. (0.00012) RY*(14)As 1 s( 9.59%)p 0.14( 1.33%)d 9.29( 89.08%) 0.0000 0.0000 0.0000 -0.0019 0.3089 0.0212 0.0014 -0.0004 0.0000 0.0000 0.0050 -0.0010 -0.0060 -0.0351 0.0006 0.0000 0.0000 0.0071 -0.0063 -0.0370 0.0252 0.0015 0.0000 0.0000 0.0108 0.0830 -0.0014 -0.0539 0.0015 0.0000 0.2626 0.2494 -0.0669 0.0000 -0.0273 0.0329 0.0293 0.0000 0.1365 0.6016 -0.1214 0.0000 0.3076 0.3033 -0.0472 0.0000 0.1649 0.3733 -0.0441 243. (0.00004) RY*(15)As 1 s( 0.35%)p99.99( 76.84%)d64.80( 22.81%) 244. (0.00003) RY*(16)As 1 s( 6.53%)p12.48( 81.50%)d 1.83( 11.97%) 245. (0.00003) RY*(17)As 1 s( 1.02%)p63.46( 64.97%)d33.22( 34.01%) 246. (0.00001) RY*(18)As 1 s( 88.36%)p 0.06( 4.89%)d 0.08( 6.75%) 247. (0.00000) RY*(19)As 1 s( 0.10%)p27.50( 2.65%)d99.99( 97.26%) 248. (0.00000) RY*(20)As 1 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 249. (0.00001) RY*(21)As 1 s( 0.04%)p99.99( 97.94%)d45.24( 2.02%) 250. (0.00000) RY*(22)As 1 s( 0.11%)p44.53( 5.08%)d99.99( 94.80%) 251. (0.00000) RY*(23)As 1 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 252. (0.00000) RY*(24)As 1 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 253. (0.00000) RY*(25)As 1 s( 0.06%)p47.13( 2.98%)d99.99( 96.95%) 254. (0.00001) RY*(26)As 1 s( 0.19%)p99.99( 96.62%)d17.20( 3.19%) 255. (0.00001) RY*(27)As 1 s( 0.18%)p99.99( 98.68%)d 6.24( 1.14%) 256. (0.00001) RY*(28)As 1 s( 0.06%)p99.99( 7.55%)d99.99( 92.40%) 257. (0.00000) RY*(29)As 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 258. (0.00000) RY*(30)As 1 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 259. (0.00000) RY*(31)As 1 s( 0.04%)p99.99( 4.11%)d99.99( 95.86%) 260. (0.00404) RY*( 1)As 2 s( 18.86%)p 1.78( 33.64%)d 2.52( 47.50%) 0.0000 0.0000 0.0000 -0.0052 0.4343 -0.0038 -0.0004 0.0001 0.0000 0.0000 -0.0556 -0.2244 0.1532 0.0138 0.0000 0.0000 0.0000 -0.0155 -0.4975 0.0490 0.0061 0.0001 0.0000 0.0000 -0.0039 -0.0334 -0.0896 -0.0059 0.0000 0.0000 -0.2020 -0.3573 0.0095 0.0000 -0.1269 0.0280 -0.0217 0.0000 -0.4098 0.0018 0.0207 0.0000 0.0612 0.0382 0.0036 0.0000 -0.3390 -0.0231 -0.0075 261. (0.00254) RY*( 2)As 2 s( 0.15%)p99.99( 31.02%)d99.99( 68.83%) 0.0000 0.0000 0.0000 -0.0076 0.0337 0.0167 0.0000 0.0000 0.0000 0.0000 -0.0067 0.4299 -0.0210 0.0038 0.0001 0.0000 0.0000 0.0216 -0.3092 -0.0173 -0.0106 0.0000 0.0000 0.0000 -0.0136 -0.1675 0.0127 0.0027 0.0001 0.0000 -0.3026 0.1112 -0.0042 0.0000 0.1149 -0.1089 0.0077 0.0000 0.3405 -0.2225 0.0182 0.0000 -0.4578 0.3373 0.0245 0.0000 -0.2395 0.1099 0.0082 262. (0.00211) RY*( 3)As 2 s( 11.90%)p 4.77( 56.77%)d 2.63( 31.33%) 0.0000 0.0000 0.0000 -0.0022 0.3446 0.0163 0.0011 -0.0001 0.0000 0.0000 -0.0298 0.3580 0.0115 0.0006 0.0001 0.0000 0.0000 0.0008 0.2024 -0.0149 0.0002 -0.0001 0.0000 0.0000 0.0142 0.6253 -0.0752 -0.0216 0.0002 0.0000 -0.0175 -0.1207 -0.0051 0.0000 -0.2056 0.2157 -0.0146 0.0000 -0.0440 -0.0124 0.0048 0.0000 -0.2035 0.1571 0.0037 0.0000 0.1639 -0.3377 0.0165 263. (0.00173) RY*( 4)As 2 s( 2.15%)p17.67( 37.92%)d27.92( 59.93%) 0.0000 0.0000 0.0000 0.0039 0.1437 0.0284 -0.0009 0.0001 0.0000 0.0000 -0.0675 -0.2034 0.1702 -0.0266 -0.0002 0.0000 0.0000 -0.0432 0.4926 -0.0400 -0.0281 -0.0001 0.0000 0.0000 -0.0466 -0.2328 0.0147 0.0075 -0.0001 0.0000 0.0850 0.1279 -0.0182 0.0000 -0.5826 -0.1869 0.0477 0.0000 0.0011 -0.0112 -0.0034 0.0000 -0.2620 0.1447 -0.0100 0.0000 -0.3255 0.0551 0.0048 264. (0.00147) RY*( 5)As 2 s( 14.57%)p 1.37( 19.93%)d 4.50( 65.50%) 0.0000 0.0000 0.0000 -0.0158 0.3803 -0.0291 -0.0005 0.0000 0.0000 0.0000 0.0254 0.1634 -0.0212 0.0208 0.0000 0.0000 0.0000 -0.0186 0.4024 0.0200 0.0349 -0.0001 0.0000 0.0000 0.0063 -0.0480 -0.0699 0.0021 0.0003 0.0000 -0.1338 0.0787 0.0046 0.0000 0.4864 -0.2410 0.0121 0.0000 0.0352 -0.0756 -0.0371 0.0000 0.2903 -0.1907 -0.0269 0.0000 -0.4030 -0.2087 0.0202 265. (0.00126) RY*( 6)As 2 s( 0.20%)p99.99( 50.02%)d99.99( 49.77%) 0.0000 0.0000 0.0000 0.0102 0.0432 0.0066 -0.0001 0.0000 0.0000 0.0000 0.0225 -0.6593 0.1077 -0.0122 0.0002 0.0000 0.0000 -0.0032 0.0400 0.0778 0.0475 0.0000 0.0000 0.0000 -0.0104 0.2079 -0.0038 -0.0114 0.0000 0.0000 -0.3145 0.0794 0.0262 0.0000 0.1334 0.2606 -0.0013 0.0000 0.4368 -0.2891 -0.0130 0.0000 -0.0845 0.0323 -0.0298 0.0000 0.0135 -0.1463 0.0303 266. (0.00111) RY*( 7)As 2 s( 1.05%)p26.12( 27.38%)d68.30( 71.57%) 0.0000 0.0000 0.0000 0.0042 0.0909 0.0470 0.0007 0.0001 0.0000 0.0000 -0.0295 -0.0512 0.1398 -0.0112 -0.0001 0.0000 0.0000 0.0551 -0.2895 -0.2557 0.0238 -0.0003 0.0000 0.0000 -0.0006 0.3099 -0.0394 0.0153 -0.0002 0.0000 -0.0343 0.2814 -0.0652 0.0000 -0.2118 -0.4874 0.0718 0.0000 0.3287 0.2830 0.0126 0.0000 0.3744 0.1132 0.0281 0.0000 0.0266 -0.0283 0.0056 267. (0.00073) RY*( 8)As 2 s( 3.15%)p 5.95( 18.78%)d24.74( 78.06%) 0.0000 0.0000 0.0000 -0.0036 0.1694 -0.0533 -0.0005 0.0001 0.0000 0.0000 0.0143 -0.0514 0.1413 0.0499 0.0000 0.0000 0.0000 -0.0089 0.1903 -0.1476 -0.0064 0.0006 0.0000 0.0000 0.0500 -0.3160 0.0446 0.0100 -0.0003 0.0000 -0.4929 -0.0904 -0.0060 0.0000 0.0896 -0.2308 -0.0050 0.0000 -0.1813 0.1062 0.0036 0.0000 -0.0388 0.2054 0.0416 0.0000 0.6114 -0.0629 -0.0273 268. (0.00070) RY*( 9)As 2 s( 6.64%)p 2.89( 19.20%)d11.17( 74.16%) 0.0000 0.0000 0.0000 -0.0083 0.2512 -0.0567 -0.0007 0.0000 0.0000 0.0000 -0.0481 0.2351 0.0064 -0.0354 0.0002 0.0000 0.0000 0.0205 -0.0408 0.0603 0.0889 -0.0002 0.0000 0.0000 -0.0067 -0.3410 0.0321 -0.0465 0.0006 0.0000 -0.0091 -0.3062 0.0414 0.0000 -0.3561 0.1986 -0.0239 0.0000 0.4996 -0.1281 -0.0473 0.0000 0.2996 -0.3042 -0.0240 0.0000 0.1652 -0.0064 -0.0280 269. (0.00046) RY*(10)As 2 s( 14.73%)p 1.13( 16.59%)d 4.66( 68.67%) 0.0000 0.0000 0.0000 -0.0017 0.3839 0.0006 -0.0002 0.0004 0.0000 0.0000 -0.0105 -0.1688 -0.0531 0.0771 -0.0005 0.0000 0.0000 -0.0053 -0.2140 0.1871 -0.0244 -0.0003 0.0000 0.0000 0.0064 -0.2137 0.0364 -0.0092 0.0002 0.0000 0.5581 0.1078 -0.0344 0.0000 0.1805 -0.1854 0.0177 0.0000 0.1167 0.0776 -0.0107 0.0000 -0.3244 -0.0111 -0.0429 0.0000 0.2265 -0.3405 0.0323 270. (0.00034) RY*(11)As 2 s( 1.02%)p16.96( 17.24%)d80.46( 81.75%) 0.0000 0.0000 0.0000 -0.0033 0.0628 0.0788 0.0018 -0.0002 0.0000 0.0000 0.0032 0.0485 -0.0007 -0.0317 0.0006 0.0000 0.0000 0.0096 -0.0331 -0.1769 0.0145 0.0002 0.0000 0.0000 -0.0092 -0.2757 0.2453 0.0002 0.0006 0.0000 0.0337 0.3251 -0.0678 0.0000 0.0208 0.5396 -0.0435 0.0000 -0.0468 0.2321 0.0006 0.0000 0.2839 0.4232 -0.0468 0.0000 -0.1211 -0.2741 0.0693 271. (0.00030) RY*(12)As 2 s( 0.43%)p38.39( 16.63%)d99.99( 82.94%) 0.0000 0.0000 0.0000 -0.0003 0.0651 -0.0094 -0.0009 -0.0002 0.0000 0.0000 -0.0106 0.0778 -0.1935 0.0146 -0.0005 0.0000 0.0000 -0.0371 -0.1505 0.3057 0.0091 -0.0004 0.0000 0.0000 0.0062 -0.0343 -0.0589 0.0130 -0.0004 0.0000 -0.2948 0.6369 -0.0802 0.0000 -0.2709 0.0252 -0.0119 0.0000 -0.2531 -0.1707 0.0059 0.0000 -0.0026 -0.3676 -0.0386 0.0000 0.1103 -0.1190 -0.0051 272. (0.00018) RY*(13)As 2 s( 12.78%)p 0.82( 10.48%)d 6.01( 76.74%) 0.0000 0.0000 0.0000 0.0013 0.3193 0.1607 0.0020 -0.0001 0.0000 0.0000 0.0017 -0.0737 -0.2445 -0.0035 0.0001 0.0000 0.0000 -0.0044 0.0442 -0.1393 0.0228 0.0007 0.0000 0.0000 -0.0084 0.0701 0.1120 -0.0131 -0.0001 0.0000 -0.1491 0.0762 0.0317 0.0000 0.0891 0.2050 0.0022 0.0000 0.1122 0.5632 -0.1345 0.0000 -0.2748 -0.2900 0.0621 0.0000 -0.0329 0.4183 -0.0313 273. (0.00012) RY*(14)As 2 s( 14.94%)p 0.39( 5.90%)d 5.30( 79.16%) 0.0000 0.0000 0.0000 -0.0018 0.3831 0.0508 0.0021 -0.0006 0.0000 0.0000 -0.0002 -0.0166 -0.0121 0.0415 -0.0008 0.0000 0.0000 -0.0057 0.0441 0.0078 -0.0302 -0.0005 0.0000 0.0000 0.0124 0.1198 0.1737 -0.0960 0.0013 0.0000 0.2247 0.1769 -0.0528 0.0000 0.0742 0.0334 -0.0379 0.0000 -0.0975 -0.4392 0.0750 0.0000 0.2169 0.2402 -0.0148 0.0000 0.1805 0.5901 -0.0724 274. (0.00005) RY*(15)As 2 s( 0.14%)p99.99( 79.41%)d99.99( 20.45%) 275. (0.00003) RY*(16)As 2 s( 6.35%)p13.17( 83.72%)d 1.56( 9.93%) 276. (0.00004) RY*(17)As 2 s( 4.40%)p14.81( 65.07%)d 6.95( 30.53%) 277. (0.00002) RY*(18)As 2 s( 45.55%)p 0.63( 28.89%)d 0.56( 25.55%) 278. (0.00000) RY*(19)As 2 s( 3.60%)p 0.34( 1.24%)d26.41( 95.16%) 279. (0.00000) RY*(20)As 2 s( 2.60%)p36.70( 95.54%)d 0.71( 1.85%) 280. (0.00000) RY*(21)As 2 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 281. (0.00000) RY*(22)As 2 s( 7.79%)p 0.38( 2.94%)d11.46( 89.27%) 282. (0.00001) RY*(23)As 2 s( 13.05%)p 6.40( 83.53%)d 0.26( 3.42%) 283. (0.00000) RY*(24)As 2 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 284. (0.00000) RY*(25)As 2 s( 1.44%)p 1.74( 2.51%)d66.72( 96.05%) 285. (0.00001) RY*(26)As 2 s( 4.56%)p20.67( 94.28%)d 0.25( 1.16%) 286. (0.00000) RY*(27)As 2 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 287. (0.00001) RY*(28)As 2 s( 2.55%)p 1.03( 2.62%)d37.19( 94.83%) 288. (0.00000) RY*(29)As 2 s( 99.98%)p 0.00( 0.01%)d 0.00( 0.00%) 289. (0.00000) RY*(30)As 2 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 290. (0.00000) RY*(31)As 2 s( 5.15%)p 0.22( 1.12%)d18.19( 93.72%) 291. (0.02870) RY*( 1)Ge 3 s( 2.49%)p38.94( 97.04%)d 0.19( 0.47%) 0.0000 0.0000 0.0000 0.0332 0.1539 0.0117 0.0001 0.0000 0.0000 0.0000 0.0024 0.0012 0.0007 0.0004 0.0000 0.0000 0.0000 0.0115 -0.0440 0.0039 -0.0006 0.0000 0.0000 0.0000 0.0976 -0.9790 -0.0178 -0.0013 0.0000 0.0000 0.0078 -0.0467 -0.0014 0.0000 0.0013 0.0018 0.0006 0.0000 0.0051 -0.0027 -0.0018 0.0000 -0.0348 -0.0231 -0.0052 0.0000 -0.0057 -0.0237 0.0039 292. (0.01471) RY*( 2)Ge 3 s( 0.00%)p 1.00( 99.00%)d 0.01( 1.00%) 0.0000 0.0000 0.0000 0.0002 0.0028 0.0021 -0.0001 0.0000 0.0000 0.0000 0.0575 0.9900 0.0116 0.0020 0.0001 0.0000 0.0000 0.0582 0.0460 0.0301 -0.0026 0.0001 0.0000 0.0000 -0.0031 0.0005 -0.0009 -0.0001 0.0000 0.0000 -0.0087 -0.0016 0.0003 0.0000 0.0341 0.0848 0.0027 0.0000 -0.0065 0.0383 0.0069 0.0000 -0.0006 0.0018 0.0009 0.0000 -0.0026 -0.0038 0.0014 293. (0.00625) RY*( 3)Ge 3 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 0.0000 0.0000 0.0000 -0.0003 0.0008 -0.0001 0.0001 0.0000 0.0000 0.0000 -0.0135 0.0502 0.0180 0.0066 0.0000 0.0000 0.0000 -0.0277 -0.9934 0.0226 -0.0016 0.0001 0.0000 0.0000 0.0051 0.0452 0.0057 -0.0009 0.0000 0.0000 0.0108 -0.0028 0.0029 0.0000 -0.0366 0.0138 0.0234 0.0000 -0.0105 -0.0653 -0.0004 0.0000 -0.0084 0.0051 0.0005 0.0000 0.0010 0.0100 -0.0016 294. (0.00407) RY*( 4)Ge 3 s( 78.50%)p 0.05( 3.62%)d 0.23( 17.88%) 0.0000 0.0000 0.0000 0.0138 0.8858 -0.0133 0.0007 0.0002 0.0000 0.0000 -0.0033 -0.0055 -0.0011 -0.0003 -0.0001 0.0000 0.0000 -0.0036 0.0017 0.0177 0.0038 0.0000 0.0000 0.0000 0.0766 0.1482 -0.0890 -0.0052 0.0004 0.0000 -0.1817 0.1744 -0.0305 0.0000 0.0185 0.0040 0.0001 0.0000 0.0064 0.0048 0.0042 0.0000 -0.0602 -0.0571 -0.0206 0.0000 0.1781 -0.2738 -0.0061 295. (0.00120) RY*( 5)Ge 3 s( 0.08%)p99.03( 8.17%)d99.99( 91.75%) 0.0000 0.0000 0.0000 -0.0025 0.0025 0.0285 -0.0002 0.0001 0.0000 0.0000 -0.0533 -0.0435 0.2485 0.0118 0.0000 0.0000 0.0000 0.0157 -0.0175 -0.0806 0.0064 -0.0003 0.0000 0.0000 -0.0025 -0.0024 0.0880 -0.0143 0.0000 0.0000 -0.0077 -0.1751 -0.0016 0.0000 0.7788 0.2243 -0.0111 0.0000 -0.1802 -0.0500 0.0273 0.0000 0.0368 0.3844 -0.0106 0.0000 0.2088 -0.0353 -0.0077 296. (0.00113) RY*( 6)Ge 3 s( 0.69%)p 2.20( 1.52%)d99.99( 97.79%) 0.0000 0.0000 0.0000 -0.0009 0.0729 0.0398 -0.0008 0.0001 0.0000 0.0000 0.0272 0.0226 -0.1054 -0.0061 -0.0001 0.0000 0.0000 -0.0093 0.0147 0.0377 -0.0007 0.0001 0.0000 0.0000 0.0076 0.0210 -0.0186 -0.0151 -0.0001 0.0000 0.1076 -0.4606 -0.0236 0.0000 -0.3958 -0.1435 0.0084 0.0000 0.1455 0.0473 -0.0175 0.0000 -0.0417 0.6833 -0.0229 0.0000 0.2758 -0.0830 -0.0194 297. (0.00074) RY*( 7)Ge 3 s( 0.29%)p86.23( 24.90%)d99.99( 74.81%) 0.0000 0.0000 0.0000 0.0055 0.0518 0.0129 -0.0029 0.0004 0.0000 0.0000 -0.0149 -0.0106 0.1167 0.0115 -0.0004 0.0000 0.0000 -0.0161 -0.0130 0.1773 -0.0058 -0.0002 0.0000 0.0000 0.0254 0.0413 -0.4475 0.0209 0.0004 0.0000 -0.2275 -0.2333 0.0082 0.0000 0.2308 -0.0715 0.0155 0.0000 0.4817 0.0983 -0.0521 0.0000 -0.3074 0.0648 0.0145 0.0000 -0.4702 0.1274 0.0519 298. (0.00069) RY*( 8)Ge 3 s( 1.02%)p 3.84( 3.92%)d93.07( 95.05%) 0.0000 0.0000 0.0000 0.0052 0.0960 -0.0310 0.0007 -0.0007 0.0000 0.0000 -0.0095 0.0006 0.0750 0.0079 0.0001 0.0000 0.0000 -0.0085 0.0053 0.0970 -0.0111 0.0000 0.0000 0.0000 0.0200 0.0514 0.1442 -0.0003 -0.0007 0.0000 0.7405 -0.2884 -0.0373 0.0000 0.1413 0.0056 0.0116 0.0000 0.3315 -0.0172 -0.0494 0.0000 -0.0507 -0.3510 -0.0014 0.0000 0.0450 -0.2350 -0.0434 299. (0.00059) RY*( 9)Ge 3 s( 1.20%)p10.44( 12.56%)d71.72( 86.24%) 0.0000 0.0000 0.0000 0.0074 0.1093 -0.0048 -0.0015 -0.0002 0.0000 0.0000 0.0050 0.0058 -0.1155 -0.0096 0.0003 0.0000 0.0000 0.0226 0.0229 -0.2352 0.0073 0.0002 0.0000 0.0000 0.0352 0.0570 -0.2260 0.0102 -0.0001 0.0000 0.1531 -0.3932 0.0220 0.0000 -0.0849 0.0710 -0.0018 0.0000 -0.6329 -0.2171 0.0433 0.0000 -0.3217 -0.0889 0.0176 0.0000 -0.3283 -0.0497 0.0112 300. (0.00040) RY*(10)Ge 3 s( 0.21%)p24.46( 5.24%)d99.99( 94.55%) 0.0000 0.0000 0.0000 0.0009 0.0387 -0.0254 -0.0001 0.0003 0.0000 0.0000 -0.0010 0.0415 0.1564 0.0183 -0.0002 0.0000 0.0000 -0.0098 0.0381 0.0603 0.0120 -0.0002 0.0000 0.0000 -0.0012 0.0145 0.1426 0.0028 0.0003 0.0000 -0.3568 -0.4346 -0.0054 0.0000 0.0027 -0.2970 0.0509 0.0000 0.0744 -0.5840 -0.0216 0.0000 0.2542 -0.2849 0.0035 0.0000 0.1574 0.1435 0.0145 301. (0.00036) RY*(11)Ge 3 s( 0.06%)p42.52( 2.44%)d99.99( 97.50%) 0.0000 0.0000 0.0000 -0.0007 0.0000 0.0239 0.0012 -0.0002 0.0000 0.0000 0.0006 0.0393 0.1042 0.0156 0.0000 0.0000 0.0000 -0.0067 0.0521 0.0647 0.0017 0.0000 0.0000 0.0000 0.0002 -0.0187 -0.0670 -0.0010 -0.0002 0.0000 0.2866 0.4857 -0.0155 0.0000 0.0080 -0.1858 0.0613 0.0000 0.0691 -0.6641 -0.0437 0.0000 -0.2623 0.3034 0.0060 0.0000 -0.0649 0.0741 -0.0076 302. (0.00026) RY*(12)Ge 3 s( 6.07%)p 0.12( 0.75%)d15.36( 93.18%) 0.0000 0.0000 0.0000 0.0069 0.2462 -0.0030 0.0025 0.0001 0.0000 0.0000 -0.0002 -0.0048 -0.0379 0.0034 0.0000 0.0000 0.0000 0.0027 0.0044 -0.0384 0.0070 0.0001 0.0000 0.0000 0.0192 0.0277 0.0576 -0.0022 0.0001 0.0000 0.1734 -0.0333 -0.0539 0.0000 0.0014 0.0670 -0.0081 0.0000 -0.0152 0.1324 -0.0010 0.0000 -0.1920 -0.0725 0.0360 0.0000 0.2396 0.8801 -0.0109 303. (0.00023) RY*(13)Ge 3 s( 0.01%)p 1.00( 11.59%)d 7.63( 88.41%) 0.0000 0.0000 0.0000 0.0002 -0.0057 0.0065 0.0011 -0.0001 0.0000 0.0000 -0.0078 0.0563 0.2355 -0.0310 -0.0004 0.0000 0.0000 -0.0030 -0.0305 -0.1780 -0.0087 -0.0001 0.0000 0.0000 0.0029 -0.0004 0.1534 -0.0025 0.0000 0.0000 0.0326 0.0523 0.0136 0.0000 0.1356 -0.8240 0.0361 0.0000 -0.1751 0.3349 0.0550 0.0000 -0.1831 -0.0102 0.0203 0.0000 -0.0113 -0.0381 -0.0017 304. (0.00017) RY*(14)Ge 3 s( 6.87%)p 0.22( 1.48%)d13.35( 91.65%) 0.0000 0.0000 0.0000 0.0035 0.2556 -0.0576 -0.0001 0.0004 0.0000 0.0000 -0.0026 0.0129 -0.1018 -0.0321 0.0000 0.0000 0.0000 0.0032 -0.0077 -0.0050 -0.0199 0.0007 0.0000 0.0000 0.0238 0.0119 -0.0396 -0.0215 -0.0007 0.0000 0.2470 0.0151 0.0606 0.0000 0.0735 -0.1574 -0.0296 0.0000 -0.0643 0.0179 -0.0156 0.0000 0.7127 0.2096 -0.0567 0.0000 -0.4705 0.1928 0.0477 305. (0.00010) RY*(15)Ge 3 s( 3.76%)p17.20( 64.58%)d 8.43( 31.66%) 0.0000 0.0000 0.0000 -0.0014 -0.1335 0.1404 -0.0029 0.0004 0.0000 0.0000 -0.0017 0.0173 -0.0170 -0.0610 -0.0011 0.0000 0.0000 0.0022 -0.0139 -0.1490 0.0259 -0.0002 0.0000 0.0000 -0.0325 -0.0168 -0.7855 0.0066 0.0017 0.0000 0.1397 0.0506 -0.0764 0.0000 0.0675 -0.1439 0.0240 0.0000 -0.0332 0.0033 0.0091 0.0000 0.2387 -0.1424 -0.1051 0.0000 0.4152 -0.0056 -0.0303 306. (0.00011) RY*(16)Ge 3 s( 0.32%)p99.99( 79.27%)d63.55( 20.41%) 0.0000 0.0000 0.0000 0.0012 0.0491 -0.0283 0.0008 0.0002 0.0000 0.0000 0.0085 -0.0059 0.7532 -0.0292 0.0010 0.0000 0.0000 -0.0075 0.0167 -0.4616 0.0993 -0.0020 0.0000 0.0000 0.0053 0.0025 -0.0290 0.0165 -0.0002 0.0000 0.0312 0.0109 0.0091 0.0000 -0.3120 0.2362 0.1261 0.0000 0.1104 0.0358 0.0321 0.0000 0.0944 0.0287 -0.0022 0.0000 -0.0953 0.0235 0.0023 307. (0.00005) RY*(17)Ge 3 s( 0.04%)p99.99( 81.13%)d99.99( 18.83%) 308. (0.00001) RY*(18)Ge 3 s( 97.24%)p 0.02( 1.58%)d 0.01( 1.18%) 309. (0.00001) RY*(19)Ge 3 s( 0.00%)p 1.00( 2.97%)d32.66( 97.03%) 310. (0.00001) RY*(20)Ge 3 s( 0.06%)p 4.05( 0.24%)d99.99( 99.70%) 311. (0.00000) RY*(21)Ge 3 s( 0.00%)p 1.00( 99.77%)d 0.00( 0.23%) 312. (0.00000) RY*(22)Ge 3 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 313. (0.00000) RY*(23)Ge 3 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 314. (0.00001) RY*(24)Ge 3 s( 0.00%)p 1.00( 99.70%)d 0.00( 0.30%) 315. (0.00000) RY*(25)Ge 3 s( 0.00%)p 1.00( 0.38%)d99.99( 99.62%) 316. (0.00000) RY*(26)Ge 3 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 317. (0.00001) RY*(27)Ge 3 s( 0.01%)p 1.00( 99.88%)d 0.00( 0.11%) 318. (0.00001) RY*(28)Ge 3 s( 0.02%)p32.53( 0.72%)d99.99( 99.26%) 319. (0.00000) RY*(29)Ge 3 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 320. (0.00000) RY*(30)Ge 3 s( 99.99%)p 0.00( 0.00%)d 0.00( 0.01%) 321. (0.00001) RY*(31)Ge 3 s( 0.01%)p 3.34( 0.04%)d99.99( 99.95%) 322. (0.00755) RY*( 1) C 4 s( 0.36%)p99.99( 95.83%)d10.59( 3.81%) 0.0000 0.0411 0.0433 -0.0061 0.0372 0.8285 -0.0067 -0.0199 -0.5005 0.0142 0.0167 0.1374 0.0131 0.0173 0.0994 -0.0196 -0.1081 0.1000 -0.0381 -0.0143 -0.0350 0.0417 -0.0357 323. (0.00280) RY*( 2) C 4 s( 2.13%)p43.44( 92.66%)d 2.44( 5.21%) 0.0000 0.0040 0.1459 -0.0044 -0.0046 0.4112 -0.0338 -0.0105 0.4904 0.0159 0.0110 -0.7178 0.0082 0.0851 -0.0257 -0.0124 0.0065 0.0432 0.0721 0.0064 0.1739 -0.0145 -0.0800 324. (0.00240) RY*( 3) C 4 s( 8.01%)p10.79( 86.41%)d 0.70( 5.59%) 0.0000 0.0080 0.2828 -0.0071 0.0183 -0.3198 -0.0337 0.0175 -0.6739 0.0359 0.0140 -0.5515 0.0170 0.1350 -0.1542 -0.0172 0.0366 0.0205 0.0031 0.0571 0.0071 0.0637 -0.0667 325. (0.00088) RY*( 4) C 4 s( 56.18%)p 0.20( 11.47%)d 0.58( 32.35%) 0.0000 -0.0044 0.7490 -0.0289 0.0279 0.0279 0.0155 -0.0225 0.1260 -0.0042 -0.0060 0.3084 0.0365 0.1997 -0.2199 -0.4106 0.0586 -0.1002 0.0513 -0.0881 0.0425 -0.2016 -0.0206 326. (0.00063) RY*( 5) C 4 s( 25.81%)p 0.09( 2.20%)d 2.79( 71.98%) 0.0000 -0.0198 0.5075 -0.0116 0.0041 -0.0587 -0.0884 -0.0024 0.0569 0.0769 -0.0060 0.0056 -0.0394 -0.5490 0.3269 0.3714 -0.1572 0.2361 -0.0330 0.2597 -0.1322 -0.0659 0.0535 327. (0.00052) RY*( 6) C 4 s( 0.27%)p 1.35( 0.36%)d99.99( 99.37%) 0.0000 -0.0035 0.0515 -0.0049 0.0016 0.0308 0.0156 0.0052 0.0238 -0.0403 0.0076 -0.0113 -0.0058 -0.2032 -0.1377 -0.2406 -0.2975 -0.3634 -0.1902 0.3105 0.2381 0.5526 0.4005 328. (0.00037) RY*( 7) C 4 s( 3.03%)p 3.43( 10.39%)d28.62( 86.58%) 0.0000 -0.0049 0.1704 -0.0344 -0.0064 0.0374 -0.2167 -0.0175 -0.0049 -0.2084 0.0118 -0.0313 0.1032 -0.1237 0.0462 0.3469 0.0897 -0.4791 -0.0451 -0.6484 -0.1149 0.2335 -0.0160 329. (0.00030) RY*( 8) C 4 s( 1.25%)p 5.67( 7.09%)d73.26( 91.66%) 0.0000 0.0243 -0.0762 0.0782 -0.0044 -0.0619 -0.2277 -0.0024 -0.0038 0.0006 -0.0008 -0.0286 0.1197 -0.4515 -0.1281 -0.4504 0.0100 0.5135 0.0046 -0.4090 0.0902 0.2188 -0.0809 330. (0.00021) RY*( 9) C 4 s( 2.45%)p 6.91( 16.94%)d32.90( 80.61%) 0.0000 0.0185 0.1413 0.0649 0.0024 -0.0069 -0.1777 -0.0052 0.1382 0.2273 -0.0012 0.1614 -0.2022 0.4185 -0.1739 0.3071 0.1133 0.3668 -0.2109 0.0233 -0.0754 0.5506 -0.0725 331. (0.00012) RY*(10) C 4 s( 0.24%)p99.99( 55.56%)d99.99( 44.20%) 0.0000 0.0038 0.0372 -0.0315 -0.0021 0.0020 0.5641 -0.0080 0.0321 0.3437 0.0095 -0.1473 -0.3104 -0.0710 0.2174 -0.2333 0.1092 -0.0424 -0.2580 -0.2612 -0.4012 0.0887 0.1339 332. (0.00009) RY*(11) C 4 s( 0.92%)p13.29( 12.25%)d94.23( 86.83%) 333. (0.00007) RY*(12) C 4 s( 0.24%)p36.38( 8.70%)d99.99( 91.06%) 334. (0.00005) RY*(13) C 4 s( 0.02%)p99.99( 42.76%)d99.99( 57.22%) 335. (0.00004) RY*(14) C 4 s( 0.33%)p24.80( 8.09%)d99.99( 91.58%) 336. (0.00004) RY*(15) C 4 s( 0.91%)p61.14( 55.39%)d48.25( 43.71%) 337. (0.00002) RY*(16) C 4 s( 1.51%)p 3.39( 5.10%)d61.98( 93.39%) 338. (0.00001) RY*(17) C 4 s( 96.38%)p 0.01( 0.50%)d 0.03( 3.13%) 339. (0.00001) RY*(18) C 4 s( 0.19%)p99.99( 88.40%)d59.33( 11.40%) 340. (0.00723) RY*( 1) C 5 s( 1.41%)p64.87( 91.54%)d 4.99( 7.05%) 0.0000 -0.0083 0.1181 0.0093 -0.0213 -0.9093 0.0247 -0.0190 -0.2089 -0.0063 0.0067 0.2083 0.0022 0.0510 0.1687 -0.0291 -0.0860 -0.0590 0.1132 0.0458 0.0982 -0.0561 0.0022 341. (0.00431) RY*( 2) C 5 s( 0.07%)p99.99( 95.13%)d66.93( 4.80%) 0.0000 -0.0031 0.0264 0.0031 0.0096 -0.2778 -0.0280 0.0009 0.8813 0.0226 0.0046 -0.3092 -0.0215 0.0781 0.0740 -0.0456 -0.0256 0.0330 -0.0847 -0.0462 -0.1442 -0.0262 0.0425 342. (0.00369) RY*( 3) C 5 s( 4.92%)p18.48( 90.84%)d 0.86( 4.24%) 0.0000 0.0060 0.2214 0.0093 0.0068 -0.0884 -0.0200 0.0073 -0.3599 -0.0054 0.0124 -0.8774 0.0238 0.0094 -0.0498 -0.1011 -0.1527 0.0067 -0.0410 0.0303 -0.0362 -0.0114 0.0469 343. (0.00197) RY*( 4) C 5 s( 87.09%)p 0.08( 7.31%)d 0.06( 5.59%) 0.0000 -0.0086 0.9332 -0.0086 0.0140 0.1568 -0.0677 0.0076 0.0776 -0.0428 -0.0167 0.1841 0.0408 0.1017 0.0018 -0.0339 0.0926 -0.1400 0.0565 0.0663 -0.0637 -0.0356 0.0580 344. (0.00064) RY*( 5) C 5 s( 1.11%)p 7.62( 8.45%)d81.51( 90.44%) 0.0000 -0.0010 0.1050 -0.0085 0.0053 0.0585 -0.0187 0.0031 0.1037 0.2157 0.0046 -0.1060 -0.1102 -0.4154 0.1226 0.1623 -0.0947 -0.1562 0.3744 -0.4454 0.4536 -0.1577 -0.2967 345. (0.00052) RY*( 6) C 5 s( 0.01%)p99.99( 6.28%)d99.99( 93.71%) 0.0000 -0.0027 0.0083 -0.0054 -0.0020 0.0175 0.0989 0.0079 -0.0658 -0.1752 0.0058 0.0747 0.1098 -0.0902 0.0044 -0.2193 -0.0775 0.3039 0.0448 -0.2478 -0.4290 -0.7043 -0.1974 346. (0.00044) RY*( 7) C 5 s( 0.14%)p99.99( 16.13%)d99.99( 83.72%) 0.0000 0.0051 0.0301 0.0226 0.0004 -0.1064 -0.3427 -0.0017 0.0167 0.1309 0.0071 0.0025 -0.1227 0.3519 -0.6200 -0.0761 0.1998 0.3561 0.0506 -0.0630 0.2854 -0.0754 -0.2505 347. (0.00026) RY*( 8) C 5 s( 0.01%)p 1.00( 6.79%)d13.74( 93.21%) 0.0000 0.0022 -0.0003 0.0071 0.0019 -0.0490 -0.1345 -0.0086 0.0024 0.2105 -0.0045 -0.0060 -0.0538 -0.5071 0.0678 -0.6146 0.4227 0.0636 0.0427 0.2459 -0.0857 0.1586 -0.1229 348. (0.00022) RY*( 9) C 5 s( 0.91%)p13.61( 12.45%)d94.71( 86.64%) 0.0000 0.0196 0.0799 0.0487 -0.0150 0.0686 0.2459 0.0063 -0.0147 -0.1475 -0.0059 0.0254 0.1907 0.2736 0.3440 -0.3704 -0.0545 0.3565 -0.1100 -0.3873 0.2322 0.3912 -0.1919 349. (0.00011) RY*(10) C 5 s( 2.70%)p 3.27( 8.83%)d32.79( 88.47%) 0.0000 0.0147 0.1363 0.0904 0.0074 -0.0694 -0.1135 0.0017 -0.0901 0.2444 0.0076 -0.0273 -0.0438 -0.1983 0.2724 0.5253 0.2993 0.5234 -0.3339 -0.0822 -0.0964 0.0277 0.0581 350. (0.00012) RY*(11) C 5 s( 2.39%)p 1.62( 3.89%)d39.16( 93.72%) 0.0000 0.0007 -0.0424 0.1488 0.0001 0.1606 -0.0599 -0.0097 0.0681 -0.0161 0.0092 -0.0657 -0.0083 0.2044 0.4235 0.0158 -0.0822 0.2480 0.2635 0.6188 0.3139 -0.2891 -0.1147 351. (0.00006) RY*(12) C 5 s( 1.12%)p35.84( 40.12%)d52.49( 58.76%) 352. (0.00005) RY*(13) C 5 s( 7.41%)p 0.73( 5.43%)d11.77( 87.16%) 353. (0.00006) RY*(14) C 5 s( 0.26%)p99.46( 26.13%)d99.99( 73.61%) 354. (0.00003) RY*(15) C 5 s( 0.62%)p99.99( 82.28%)d27.47( 17.10%) 355. (0.00001) RY*(16) C 5 s( 89.49%)p 0.02( 2.13%)d 0.09( 8.38%) 356. (0.00001) RY*(17) C 5 s( 0.10%)p 3.31( 0.32%)d99.99( 99.58%) 357. (0.00001) RY*(18) C 5 s( 0.29%)p99.99( 96.09%)d12.33( 3.62%) 358. (0.00547) RY*( 1) C 6 s( 0.57%)p99.99( 93.32%)d10.82( 6.11%) 0.0000 -0.0206 0.0710 -0.0137 0.0113 0.1782 -0.0095 0.0247 0.7791 -0.0078 -0.0159 -0.5415 0.0049 0.0160 -0.0361 -0.0003 0.0354 0.0529 0.0930 -0.0117 0.2031 0.0245 -0.0698 359. (0.00189) RY*( 2) C 6 s( 5.78%)p14.85( 85.82%)d 1.45( 8.40%) 0.0000 0.0163 0.2398 0.0046 -0.0206 0.9087 0.1034 0.0072 -0.1141 0.0246 -0.0062 0.0878 -0.0058 0.0622 0.0795 0.0104 -0.0546 -0.0074 -0.0044 0.1836 -0.1289 -0.1227 0.0723 360. (0.00112) RY*( 3) C 6 s( 0.00%)p 1.00( 87.68%)d 0.14( 12.32%) 0.0000 -0.0007 0.0051 -0.0049 -0.0007 0.0040 -0.0559 0.0012 -0.5318 0.0755 0.0009 -0.7633 0.0504 -0.0575 -0.0065 0.0176 -0.0382 0.1101 -0.0379 -0.1368 0.0520 -0.2753 0.0855 361. (0.00080) RY*( 4) C 6 s( 76.77%)p 0.10( 7.44%)d 0.21( 15.79%) 0.0000 -0.0119 0.8750 -0.0436 0.0143 -0.1625 -0.2002 0.0155 -0.0580 -0.0222 -0.0123 0.0555 0.0204 -0.0445 -0.0110 0.0035 -0.0313 -0.2571 0.1943 -0.1593 0.1593 0.0001 -0.0149 362. (0.00045) RY*( 5) C 6 s( 0.05%)p33.30( 1.63%)d99.99( 98.32%) 0.0000 -0.0029 0.0214 0.0048 0.0010 -0.0563 -0.1038 0.0052 -0.0016 0.0211 0.0044 -0.0256 0.0350 0.4655 0.2505 0.7834 0.2890 0.0067 -0.0038 0.0431 -0.0479 0.0014 0.0480 363. (0.00043) RY*( 6) C 6 s( 3.18%)p 4.28( 13.58%)d26.21( 83.25%) 0.0000 -0.0149 0.1776 0.0026 0.0123 -0.2617 -0.1781 0.0111 0.1513 0.0557 -0.0093 -0.0814 -0.0511 -0.0700 0.0210 -0.0368 -0.1407 0.0768 -0.1310 0.6849 -0.4332 -0.3181 0.1578 364. (0.00026) RY*( 7) C 6 s( 5.74%)p 4.94( 28.39%)d11.47( 65.86%) 0.0000 0.0018 0.2377 -0.0302 0.0110 -0.1120 0.4974 0.0046 -0.0168 -0.1010 -0.0002 -0.0066 0.1153 0.4291 -0.4215 -0.2251 0.3838 0.2528 -0.1359 0.0166 -0.0689 -0.0802 0.0709 365. (0.00016) RY*( 8) C 6 s( 2.96%)p 8.16( 24.14%)d24.64( 72.91%) 0.0000 0.0249 0.1601 0.0578 0.0017 0.0780 -0.4785 -0.0022 0.0281 -0.0538 0.0016 0.0174 0.0481 0.0624 0.0551 -0.1126 -0.0200 0.5433 -0.4502 -0.2514 -0.2037 0.3220 -0.0540 366. (0.00013) RY*( 9) C 6 s( 7.29%)p 1.97( 14.33%)d10.75( 78.38%) 0.0000 -0.0097 -0.0055 0.2698 0.0205 -0.0982 0.1539 -0.0037 0.0754 -0.2612 0.0058 -0.0297 0.1864 0.4224 0.5571 -0.2938 -0.3487 -0.0824 0.0513 -0.1792 -0.0946 -0.1374 0.1333 367. (0.00007) RY*(10) C 6 s( 0.69%)p19.95( 13.75%)d99.99( 85.56%) 368. (0.00004) RY*(11) C 6 s( 0.73%)p12.59( 9.25%)d99.99( 90.02%) 369. (0.00003) RY*(12) C 6 s( 6.43%)p11.00( 70.73%)d 3.55( 22.84%) 370. (0.00002) RY*(13) C 6 s( 2.55%)p 4.33( 11.04%)d33.93( 86.42%) 371. (0.00002) RY*(14) C 6 s( 10.48%)p 3.75( 39.32%)d 4.79( 50.20%) 372. (0.00000) RY*(15) C 6 s( 9.39%)p 8.49( 79.74%)d 1.16( 10.87%) 373. (0.00000) RY*(16) C 6 s( 67.17%)p 0.25( 16.93%)d 0.24( 15.90%) 374. (0.00000) RY*(17) C 6 s( 0.29%)p 7.82( 2.23%)d99.99( 97.49%) 375. (0.00000) RY*(18) C 6 s( 0.06%)p12.90( 0.80%)d99.99( 99.14%) 376. (0.00302) RY*( 1) H 7 s( 99.23%)p 0.01( 0.77%) -0.0030 0.9961 -0.0005 -0.0560 -0.0558 0.0388 377. (0.00027) RY*( 2) H 7 s( 53.76%)p 0.86( 46.24%) 0.0027 0.0131 0.7331 -0.1004 -0.1312 -0.6596 378. (0.00025) RY*( 3) H 7 s( 34.43%)p 1.90( 65.57%) 0.0020 0.0090 0.5867 -0.0636 0.5971 0.5432 379. (0.00006) RY*( 4) H 7 s( 4.69%)p20.33( 95.31%) 380. (0.00004) RY*( 5) H 7 s( 7.91%)p11.63( 92.09%) 381. (0.00543) RY*( 1) C 8 s( 0.48%)p99.99( 89.48%)d20.81( 10.04%) 0.0000 -0.0264 0.0520 -0.0377 -0.0303 0.7824 0.0136 0.0167 -0.4262 -0.0049 -0.0123 0.3153 0.0057 -0.0360 0.2160 0.0180 -0.1493 0.1055 -0.0951 -0.0208 -0.0757 0.0585 -0.0068 382. (0.00185) RY*( 2) C 8 s( 0.05%)p99.99( 99.84%)d 2.27( 0.11%) 0.0000 -0.0001 0.0219 0.0010 -0.0226 -0.5520 0.1178 -0.0274 -0.6575 0.1368 0.0175 0.4676 -0.0926 -0.0090 0.0005 0.0045 0.0053 -0.0033 -0.0129 -0.0173 -0.0218 0.0025 0.0029 383. (0.00106) RY*( 3) C 8 s( 0.12%)p99.99( 86.65%)d99.99( 13.23%) 0.0000 0.0001 0.0352 0.0018 0.0004 -0.0135 -0.0016 0.0004 0.5421 0.0796 -0.0016 0.7427 0.1208 -0.1862 0.0704 -0.2378 0.0644 0.0480 -0.0203 -0.0693 0.0314 -0.1407 0.0606 384. (0.00079) RY*( 4) C 8 s( 57.20%)p 0.06( 3.33%)d 0.69( 39.47%) 0.0000 -0.0019 0.7562 -0.0120 -0.0075 -0.1315 0.0295 0.0025 0.0759 -0.0178 -0.0061 -0.0903 0.0286 -0.3068 0.2999 0.3394 -0.1715 0.1079 -0.0131 0.1092 -0.1609 -0.1257 -0.0232 385. (0.00044) RY*( 5) C 8 s( 0.66%)p 0.48( 0.31%)d99.99( 99.03%) 0.0000 -0.0007 0.0794 0.0158 0.0004 -0.0282 0.0021 0.0045 -0.0106 -0.0255 0.0071 -0.0369 -0.0108 -0.3604 -0.0844 -0.3347 -0.2535 -0.2480 -0.1539 0.4051 0.1489 0.5540 0.3139 386. (0.00023) RY*( 6) C 8 s( 18.30%)p 0.32( 5.78%)d 4.15( 75.93%) 0.0000 -0.0194 0.3995 -0.1516 -0.0234 0.0736 -0.1886 0.0120 -0.0364 0.0903 -0.0095 0.0343 -0.0732 0.4773 -0.0253 -0.3045 -0.0377 -0.5697 0.2027 0.0024 -0.0836 -0.2026 0.1515 387. (0.00018) RY*( 7) C 8 s( 0.06%)p99.99( 12.57%)d99.99( 87.37%) 0.0000 0.0003 0.0214 -0.0109 -0.0017 0.0309 0.1845 -0.0005 0.0316 0.2402 0.0005 -0.0303 -0.1763 -0.0359 0.2887 0.0119 -0.1687 -0.0749 0.3991 -0.1169 0.7172 0.0674 -0.2512 388. (0.00008) RY*( 8) C 8 s( 20.18%)p 0.03( 0.59%)d 3.93( 79.23%) 389. (0.00006) RY*( 9) C 8 s( 0.18%)p99.99( 50.78%)d99.99( 49.04%) 390. (0.00005) RY*(10) C 8 s( 1.25%)p11.43( 14.25%)d67.79( 84.51%) 391. (0.00002) RY*(11) C 8 s( 10.35%)p 0.68( 7.04%)d 7.98( 82.61%) 392. (0.00002) RY*(12) C 8 s( 2.99%)p14.62( 43.69%)d17.84( 53.32%) 393. (0.00002) RY*(13) C 8 s( 6.54%)p10.04( 65.67%)d 4.25( 27.79%) 394. (0.00002) RY*(14) C 8 s( 0.89%)p 8.21( 7.29%)d99.99( 91.82%) 395. (0.00001) RY*(15) C 8 s( 0.18%)p99.99( 87.79%)d66.74( 12.03%) 396. (0.00000) RY*(16) C 8 s( 79.36%)p 0.13( 9.94%)d 0.13( 10.71%) 397. (0.00000) RY*(17) C 8 s( 1.22%)p 7.65( 9.30%)d73.54( 89.48%) 398. (0.00000) RY*(18) C 8 s( 0.15%)p38.90( 5.79%)d99.99( 94.06%) 399. (0.00190) RY*( 1) H 9 s( 99.04%)p 0.01( 0.96%) 0.0017 0.9952 0.0024 -0.0820 0.0412 -0.0348 400. (0.00023) RY*( 2) H 9 s( 0.86%)p99.99( 99.14%) 0.0002 0.0010 0.0928 -0.0413 0.5750 0.8118 401. (0.00021) RY*( 3) H 9 s( 92.17%)p 0.08( 7.83%) 0.0029 -0.0286 0.9596 -0.2105 0.0704 -0.1703 402. (0.00006) RY*( 4) H 9 s( 0.00%)p 1.00(100.00%) 403. (0.00004) RY*( 5) H 9 s( 7.95%)p11.58( 92.05%) 404. (0.00561) RY*( 1) C 10 s( 0.65%)p99.99( 93.28%)d 9.37( 6.07%) 0.0000 -0.0214 0.0763 -0.0138 -0.0240 -0.8076 -0.0008 -0.0155 -0.3918 0.0110 0.0134 0.3550 -0.0098 0.0040 -0.1572 -0.0069 0.1118 0.0471 -0.0838 -0.0354 -0.1068 0.0187 0.0340 405. (0.00199) RY*( 2) C 10 s( 5.05%)p17.20( 86.94%)d 1.58( 8.01%) 0.0000 0.0152 0.2243 -0.0029 -0.0144 0.4616 0.0049 0.0125 -0.3579 -0.0752 -0.0107 0.7222 0.0224 -0.0012 0.1098 0.1335 -0.1129 -0.1447 0.0499 -0.1086 0.0230 -0.0191 0.0359 406. (0.00118) RY*( 3) C 10 s( 0.91%)p95.63( 87.10%)d13.16( 11.99%) 0.0000 -0.0089 0.0948 -0.0067 0.0036 -0.1514 -0.0793 -0.0104 0.7831 0.0752 0.0033 0.4497 -0.1437 0.1627 -0.0810 0.2273 -0.0418 0.0727 -0.0546 0.0430 -0.0027 -0.1184 0.0962 407. (0.00068) RY*( 4) C 10 s( 72.22%)p 0.09( 6.62%)d 0.29( 21.16%) 0.0000 -0.0105 0.8489 -0.0382 -0.0135 0.0591 -0.0132 -0.0130 -0.0157 0.1285 0.0092 -0.1930 -0.0900 0.0967 -0.1145 -0.1927 0.1257 -0.0609 0.0186 0.2729 -0.1981 -0.1092 0.0808 408. (0.00046) RY*( 5) C 10 s( 0.01%)p 1.00( 1.30%)d75.94( 98.70%) 0.0000 -0.0012 0.0067 -0.0023 -0.0015 0.0033 -0.0678 0.0055 0.0257 0.0224 0.0087 0.0283 -0.0795 -0.3011 -0.0199 -0.2843 -0.1449 0.2338 0.1146 -0.3760 -0.1873 -0.7002 -0.2440 409. (0.00043) RY*( 6) C 10 s( 3.49%)p 3.67( 12.80%)d24.01( 83.71%) 0.0000 -0.0173 0.1859 -0.0016 -0.0109 -0.2388 -0.1675 -0.0127 0.0858 0.1131 0.0083 -0.1259 -0.0810 -0.4782 0.3537 0.2657 -0.1649 -0.5425 0.2163 -0.1383 0.1549 0.0289 0.0223 410. (0.00025) RY*( 7) C 10 s( 9.55%)p 0.90( 8.61%)d 8.57( 81.84%) 0.0000 0.0067 0.3026 -0.0628 -0.0026 -0.0554 0.1496 -0.0099 0.0877 -0.1841 0.0051 -0.0629 0.1224 0.1832 -0.2735 0.0216 0.0566 0.0513 0.2091 -0.4942 0.4884 0.1940 -0.3735 411. (0.00017) RY*( 8) C 10 s( 2.18%)p17.08( 37.30%)d27.71( 60.52%) 0.0000 0.0211 0.1206 0.0827 0.0029 0.0038 -0.1721 0.0018 -0.0771 0.4671 0.0016 0.0168 -0.3448 0.0106 0.3650 -0.0940 -0.1777 0.4706 -0.1980 -0.1237 0.1592 0.3294 -0.1472 412. (0.00012) RY*( 9) C 10 s( 6.31%)p 2.91( 18.38%)d11.93( 75.31%) 0.0000 -0.0099 0.0325 0.2489 0.0133 -0.1326 0.3815 -0.0170 0.0834 -0.0575 0.0099 -0.0393 0.0909 0.4514 0.3721 -0.2115 -0.3522 -0.2326 -0.0034 -0.2605 -0.3422 0.0529 0.0158 413. (0.00008) RY*(10) C 10 s( 0.06%)p99.99( 13.98%)d99.99( 85.96%) 414. (0.00003) RY*(11) C 10 s( 6.80%)p 8.05( 54.77%)d 5.65( 38.43%) 415. (0.00003) RY*(12) C 10 s( 2.34%)p 9.53( 22.33%)d32.13( 75.32%) 416. (0.00003) RY*(13) C 10 s( 0.95%)p 7.80( 7.40%)d96.68( 91.66%) 417. (0.00000) RY*(14) C 10 s( 0.02%)p46.08( 1.12%)d99.99( 98.85%) 418. (0.00000) RY*(15) C 10 s( 78.98%)p 0.12( 9.86%)d 0.14( 11.16%) 419. (0.00001) RY*(16) C 10 s( 0.04%)p99.99( 94.32%)d99.99( 5.64%) 420. (0.00000) RY*(17) C 10 s( 0.64%)p 4.14( 2.66%)d99.99( 96.70%) 421. (0.00001) RY*(18) C 10 s( 9.91%)p 4.17( 41.34%)d 4.92( 48.75%) 422. (0.00261) RY*( 1) H 11 s( 99.08%)p 0.01( 0.92%) -0.0027 0.9954 -0.0015 0.0577 0.0399 -0.0658 423. (0.00029) RY*( 2) H 11 s( 84.97%)p 0.18( 15.03%) 0.0025 0.0280 0.9213 -0.2689 0.1308 0.2468 424. (0.00025) RY*( 3) H 11 s( 7.50%)p12.33( 92.50%) 0.0011 -0.0236 0.2729 -0.0510 -0.5850 -0.7617 425. (0.00007) RY*( 4) H 11 s( 2.05%)p47.86( 97.95%) 426. (0.00004) RY*( 5) H 11 s( 6.43%)p14.55( 93.57%) 427. (0.00755) RY*( 1) C 12 s( 0.73%)p99.99( 92.80%)d 8.87( 6.47%) 0.0000 -0.0070 0.0846 0.0091 0.0085 -0.1039 0.0090 0.0211 0.7555 -0.0149 -0.0196 -0.5875 0.0109 0.0137 0.0406 -0.0211 -0.0155 -0.0861 -0.0591 -0.0417 -0.2002 -0.0340 0.0909 428. (0.00449) RY*( 2) C 12 s( 2.07%)p45.08( 93.12%)d 2.33( 4.82%) 0.0000 -0.0049 0.1432 0.0115 0.0089 -0.8414 -0.0333 -0.0076 0.1979 0.0094 0.0042 0.4272 -0.0127 0.0759 0.1249 0.0142 -0.1172 -0.0467 0.0172 -0.0167 0.0682 0.0333 0.0662 429. (0.00372) RY*( 3) C 12 s( 4.49%)p20.25( 90.91%)d 1.02( 4.60%) 0.0000 0.0015 0.2118 0.0055 -0.0033 0.4796 0.0238 -0.0036 0.5295 0.0039 0.0017 0.6303 -0.0304 0.0053 -0.0539 0.0826 0.0897 -0.0659 -0.0306 0.0068 0.0316 0.0974 0.1113 430. (0.00143) RY*( 4) C 12 s( 86.16%)p 0.10( 8.96%)d 0.06( 4.88%) 0.0000 -0.0058 0.9281 -0.0140 -0.0082 0.0221 0.0160 -0.0152 -0.2112 0.1025 0.0051 -0.1610 -0.0868 0.0393 -0.0653 -0.0882 0.0533 -0.1228 0.1139 -0.0192 0.0336 0.0162 -0.0509 431. (0.00060) RY*( 5) C 12 s( 1.22%)p 6.93( 8.47%)d73.86( 90.31%) 0.0000 0.0020 0.1092 -0.0171 0.0014 -0.0795 -0.2182 -0.0030 -0.0679 -0.1085 0.0011 0.1028 0.0615 -0.1044 -0.2353 -0.0926 0.1410 0.2623 -0.3062 0.5238 -0.5838 -0.1345 0.1122 432. (0.00049) RY*( 6) C 12 s( 0.23%)p27.78( 6.41%)d99.99( 93.35%) 0.0000 -0.0067 0.0475 -0.0021 -0.0049 0.0438 0.1889 0.0024 -0.0847 -0.1205 0.0075 -0.0311 0.0616 0.4363 0.4195 0.6426 0.1132 -0.1024 0.0844 0.2634 -0.1675 -0.1601 0.0291 433. (0.00044) RY*( 7) C 12 s( 0.30%)p47.19( 14.37%)d99.99( 85.33%) 0.0000 -0.0051 0.0468 -0.0288 -0.0030 0.0987 0.3235 -0.0023 -0.0337 -0.1573 0.0008 0.0346 0.0468 -0.4233 0.3487 -0.1666 -0.5935 -0.1930 0.1026 0.3133 -0.1306 0.0816 0.0520 434. (0.00026) RY*( 8) C 12 s( 0.31%)p75.03( 23.42%)d99.99( 76.27%) 0.0000 0.0026 0.0399 -0.0390 -0.0150 0.0534 0.4656 -0.0030 -0.0164 -0.0030 -0.0065 0.0517 0.1063 0.4145 -0.0212 -0.3718 -0.1720 0.2780 -0.1908 -0.1483 0.0525 -0.4465 0.2911 435. (0.00024) RY*( 9) C 12 s( 0.15%)p26.62( 4.04%)d99.99( 95.81%) 0.0000 0.0195 0.0291 0.0171 -0.0089 0.0142 0.1738 0.0133 -0.0280 -0.0908 -0.0005 -0.0094 0.0247 0.3078 0.2192 -0.1801 0.0279 0.2761 -0.2161 -0.1185 -0.2305 0.7363 -0.2233 436. (0.00012) RY*(10) C 12 s( 2.97%)p 1.85( 5.49%)d30.78( 91.54%) 0.0000 0.0168 0.1716 0.0002 0.0006 0.0448 -0.1762 -0.0098 0.1272 -0.0309 -0.0008 -0.0551 0.0394 -0.1852 0.1602 0.2798 -0.2633 0.7382 -0.0467 0.0285 0.3029 -0.1204 -0.2314 437. (0.00011) RY*(11) C 12 s( 3.21%)p 2.11( 6.76%)d28.04( 90.03%) 0.0000 0.0078 0.0675 0.1658 0.0128 -0.0333 0.2045 -0.0012 -0.1201 0.0752 -0.0045 0.0632 -0.0210 -0.3216 -0.0974 0.4009 -0.1243 -0.0214 -0.3163 -0.5878 -0.3972 -0.0704 0.0497 438. (0.00010) RY*(12) C 12 s( 2.67%)p 2.84( 7.59%)d33.59( 89.74%) 0.0000 0.0018 0.0341 0.1598 0.0021 -0.0180 -0.0045 0.0046 -0.0690 -0.1197 0.0063 -0.1410 0.1911 0.1149 -0.4170 0.2858 -0.2790 -0.0528 -0.2116 0.1796 0.3243 0.3622 0.4843 439. (0.00006) RY*(13) C 12 s( 0.67%)p18.90( 12.60%)d99.99( 86.74%) 440. (0.00005) RY*(14) C 12 s( 0.47%)p99.99( 57.26%)d90.13( 42.27%) 441. (0.00003) RY*(15) C 12 s( 3.33%)p20.54( 68.42%)d 8.48( 28.25%) 442. (0.00001) RY*(16) C 12 s( 90.84%)p 0.02( 1.87%)d 0.08( 7.29%) 443. (0.00001) RY*(17) C 12 s( 0.13%)p 5.87( 0.77%)d99.99( 99.10%) 444. (0.00001) RY*(18) C 12 s( 0.11%)p99.99( 96.88%)d28.01( 3.01%) 445. (0.00568) RY*( 1) C 13 s( 2.54%)p36.95( 93.73%)d 1.47( 3.73%) 0.0000 0.0027 0.1592 -0.0029 0.0176 0.3620 -0.0135 -0.0186 -0.7383 0.0279 0.0162 0.5080 -0.0350 0.0546 -0.0183 -0.1016 0.0100 0.0581 -0.0735 -0.1126 0.0182 0.0386 0.0173 446. (0.00208) RY*( 2) C 13 s( 0.43%)p99.99( 91.99%)d17.76( 7.58%) 0.0000 0.0042 0.0652 0.0024 -0.0019 0.1514 0.0144 0.0048 -0.4974 -0.0921 0.0045 -0.7956 -0.0884 0.0162 -0.0035 0.1163 0.0609 -0.0856 0.1064 -0.0040 0.0616 -0.1890 0.0121 447. (0.00186) RY*( 3) C 13 s( 2.72%)p29.89( 81.19%)d 5.92( 16.09%) 0.0000 -0.0173 0.1637 0.0078 0.0084 0.8009 -0.0649 -0.0075 0.3966 0.0737 0.0037 -0.0364 -0.0452 0.2212 -0.0916 -0.1324 0.0478 -0.0591 0.1149 0.1874 0.1027 -0.1398 -0.0436 448. (0.00082) RY*( 4) C 13 s( 84.43%)p 0.09( 7.84%)d 0.09( 7.73%) 0.0000 0.0003 0.9186 -0.0208 0.0107 -0.2560 -0.0698 -0.0061 0.0502 0.0304 0.0057 -0.0105 -0.0652 -0.0952 -0.0917 -0.1100 -0.0281 -0.1138 -0.0290 0.1198 -0.1150 -0.0573 -0.0475 449. (0.00057) RY*( 5) C 13 s( 0.27%)p71.68( 19.69%)d99.99( 80.04%) 0.0000 -0.0027 0.0451 0.0265 -0.0037 0.1772 0.0275 -0.0080 0.1068 0.0430 0.0140 -0.1968 -0.3353 -0.0782 0.3312 -0.1880 0.0148 0.3514 -0.5102 -0.2425 -0.4100 0.1529 0.1218 450. (0.00041) RY*( 6) C 13 s( 1.74%)p 9.26( 16.14%)d47.14( 82.12%) 0.0000 -0.0014 0.1309 0.0168 -0.0014 0.0176 -0.0892 -0.0122 0.0531 0.3067 -0.0070 -0.0165 0.2362 0.2193 -0.2112 0.5289 -0.3209 0.3264 -0.2232 -0.2588 0.0907 -0.2578 0.2185 451. (0.00028) RY*( 7) C 13 s( 0.12%)p50.51( 6.22%)d99.99( 93.65%) 0.0000 -0.0023 0.0171 0.0305 -0.0181 0.1777 0.0748 0.0047 -0.0120 0.0728 0.0112 -0.1340 -0.0339 -0.3035 -0.4082 0.1671 -0.2973 -0.0823 -0.0784 0.0972 0.0641 0.7314 -0.0058 452. (0.00025) RY*( 8) C 13 s( 0.31%)p36.09( 11.25%)d99.99( 88.44%) 0.0000 -0.0040 0.0421 0.0365 -0.0194 0.1908 0.0261 -0.0112 0.0891 0.2015 -0.0062 0.0578 0.1518 -0.7217 0.0557 0.1797 0.3301 -0.1418 0.1514 -0.3745 -0.0386 -0.1743 0.0635 453. (0.00019) RY*( 9) C 13 s( 0.71%)p73.20( 52.15%)d66.16( 47.13%) 0.0000 -0.0030 0.0837 -0.0101 -0.0080 0.0420 0.2307 -0.0033 0.0972 -0.4102 -0.0031 0.1645 -0.5116 0.1059 -0.0251 0.5611 0.0842 -0.0191 0.0978 -0.1891 -0.0513 -0.0150 -0.2984 454. (0.00016) RY*(10) C 13 s( 0.55%)p60.60( 33.36%)d99.99( 66.09%) 0.0000 0.0008 0.0371 0.0643 -0.0002 0.0301 -0.4064 -0.0046 0.0382 -0.3550 0.0072 -0.0268 0.1980 0.2131 -0.1865 -0.0262 0.1011 0.0020 0.3587 -0.3345 -0.4293 0.2255 0.3066 455. (0.00013) RY*(11) C 13 s( 1.01%)p 8.48( 8.55%)d89.62( 90.44%) 0.0000 -0.0007 0.0755 0.0662 -0.0050 -0.0430 -0.1836 0.0100 -0.0373 0.2071 0.0031 0.0330 -0.0669 0.1275 0.2488 0.3802 0.5640 0.1003 -0.0017 0.3990 0.1087 0.2914 0.3123 456. (0.00010) RY*(12) C 13 s( 2.00%)p12.65( 25.29%)d36.36( 72.71%) 0.0000 -0.0012 0.1257 -0.0648 0.0030 0.0563 0.3917 0.0014 0.0138 0.2082 0.0032 -0.0239 0.2284 0.2855 0.5228 0.1035 -0.2109 -0.4194 0.1599 -0.2067 -0.1027 0.2396 0.0701 457. (0.00006) RY*(13) C 13 s( 8.96%)p 2.55( 22.89%)d 7.60( 68.14%) 458. (0.00003) RY*(14) C 13 s( 2.59%)p16.34( 42.31%)d21.28( 55.10%) 459. (0.00004) RY*(15) C 13 s( 3.18%)p15.83( 50.30%)d14.65( 46.53%) 460. (0.00002) RY*(16) C 13 s( 2.04%)p 3.09( 6.31%)d44.84( 91.65%) 461. (0.00002) RY*(17) C 13 s( 0.08%)p99.99( 19.39%)d99.99( 80.53%) 462. (0.00000) RY*(18) C 13 s( 86.30%)p 0.13( 11.64%)d 0.02( 2.06%) 463. (0.00751) RY*( 1) H 14 s( 99.96%)p 0.00( 0.04%) 0.0011 0.9998 -0.0001 0.0179 0.0049 -0.0058 464. (0.00028) RY*( 2) H 14 s( 82.98%)p 0.21( 17.02%) -0.0037 -0.0005 0.9109 -0.0696 0.4057 0.0272 465. (0.00019) RY*( 3) H 14 s( 12.27%)p 7.15( 87.73%) -0.0003 0.0004 0.3503 0.0020 -0.7483 -0.5633 466. (0.00013) RY*( 4) H 14 s( 2.64%)p36.95( 97.36%) 0.0052 0.0144 0.1616 -0.4276 -0.4860 0.7447 467. (0.00008) RY*( 5) H 14 s( 2.17%)p45.06( 97.83%) 468. (0.00295) RY*( 1) C 15 s( 0.87%)p99.99( 92.03%)d 8.15( 7.10%) 0.0000 0.0009 0.0933 0.0013 0.0076 -0.4427 0.0034 0.0074 -0.0579 0.0214 -0.0120 0.8483 0.0236 -0.1205 0.0093 -0.0106 -0.0336 0.2035 0.0404 -0.0010 0.0047 0.0966 0.0525 469. (0.00181) RY*( 2) C 15 s( 7.88%)p10.64( 83.91%)d 1.04( 8.21%) 0.0000 0.0084 0.2806 0.0047 -0.0118 0.8089 -0.0139 0.0040 0.1373 -0.0398 -0.0032 0.4023 0.0468 0.2303 0.0650 -0.0248 -0.0222 0.1129 0.0450 -0.0087 0.0536 -0.0409 0.0659 470. (0.00053) RY*( 3) C 15 s( 41.81%)p 1.31( 54.59%)d 0.09( 3.60%) 0.0000 0.0116 0.6461 -0.0243 0.0026 -0.2340 -0.0999 0.0123 0.6680 0.1239 0.0034 -0.1389 0.0104 -0.0572 -0.1200 -0.0085 -0.0125 -0.0268 -0.0635 -0.0529 -0.0537 -0.0871 0.0066 471. (0.00021) RY*( 4) C 15 s( 6.02%)p 4.59( 27.63%)d11.01( 66.34%) 0.0000 -0.0056 0.2425 -0.0376 0.0157 0.1943 0.0017 0.0013 -0.2945 0.3750 0.0008 -0.0962 0.0415 -0.6740 0.2479 0.0289 0.0278 0.2082 -0.2646 -0.1666 -0.0311 0.0602 -0.0179 472. (0.00018) RY*( 5) C 15 s( 5.33%)p 1.08( 5.75%)d16.69( 88.92%) 0.0000 -0.0053 0.2285 0.0324 0.0127 0.0144 0.1021 -0.0158 -0.1236 -0.1489 -0.0014 -0.0665 -0.0678 0.0862 -0.1005 0.5345 -0.3740 0.0850 -0.1528 0.3478 -0.1100 0.4724 -0.2435 473. (0.00014) RY*( 6) C 15 s( 4.64%)p 5.41( 25.12%)d15.14( 70.24%) 0.0000 -0.0066 0.2077 -0.0570 0.0087 0.0084 -0.1241 -0.0039 -0.3253 0.3337 0.0109 0.0839 -0.1062 0.0327 -0.2626 0.3400 -0.1503 -0.5147 0.3590 -0.2217 0.1053 -0.1910 0.0615 474. (0.00012) RY*( 7) C 15 s( 14.13%)p 1.22( 17.25%)d 4.86( 68.62%) 0.0000 -0.0114 0.3756 -0.0091 -0.0122 -0.0218 -0.1615 -0.0207 -0.3742 -0.0568 -0.0072 -0.0365 0.0279 0.0123 -0.0744 -0.4499 0.2344 -0.1890 0.0805 0.5680 -0.2254 0.0421 0.0756 475. (0.00008) RY*( 8) C 15 s( 3.19%)p 9.39( 29.93%)d21.00( 66.89%) 476. (0.00004) RY*( 9) C 15 s( 6.08%)p 1.57( 9.52%)d13.89( 84.40%) 477. (0.00001) RY*(10) C 15 s( 0.42%)p11.96( 5.05%)d99.99( 94.53%) 478. (0.00002) RY*(11) C 15 s( 7.14%)p 7.63( 54.48%)d 5.37( 38.38%) 479. (0.00001) RY*(12) C 15 s( 2.25%)p35.25( 79.39%)d 8.15( 18.36%) 480. (0.00001) RY*(13) C 15 s( 1.20%)p75.22( 90.52%)d 6.88( 8.28%) 481. (0.00000) RY*(14) C 15 s( 0.33%)p28.89( 9.49%)d99.99( 90.18%) 482. (0.00000) RY*(15) C 15 s( 97.22%)p 0.02( 2.34%)d 0.00( 0.44%) 483. (0.00000) RY*(16) C 15 s( 0.27%)p19.66( 5.28%)d99.99( 94.45%) 484. (0.00000) RY*(17) C 15 s( 0.49%)p 2.90( 1.41%)d99.99( 98.10%) 485. (0.00000) RY*(18) C 15 s( 0.77%)p 8.61( 6.61%)d99.99( 92.62%) 486. (0.00160) RY*( 1) H 16 s( 97.97%)p 0.02( 2.03%) -0.0038 0.9898 0.0003 0.0496 -0.1323 0.0194 487. (0.00018) RY*( 2) H 16 s( 99.15%)p 0.01( 0.85%) 0.0004 0.0035 0.9957 -0.0122 0.0108 -0.0910 488. (0.00019) RY*( 3) H 16 s( 0.43%)p99.99( 99.57%) -0.0003 0.0654 0.0019 0.6659 0.7429 0.0218 489. (0.00012) RY*( 4) H 16 s( 0.83%)p99.99( 99.17%) 0.0031 0.0742 0.0524 -0.5389 0.4558 0.7026 490. (0.00002) RY*( 5) H 16 s( 1.66%)p59.27( 98.34%) 491. (0.00196) RY*( 1) H 17 s( 97.13%)p 0.03( 2.87%) -0.0027 0.9856 -0.0022 -0.0845 -0.1463 0.0107 492. (0.00018) RY*( 2) H 17 s( 71.04%)p 0.41( 28.96%) 0.0013 0.0363 0.8421 0.0096 0.1895 -0.5036 493. (0.00010) RY*( 3) H 17 s( 4.31%)p22.22( 95.69%) 0.0021 -0.0770 0.1927 0.5263 -0.8244 0.0165 494. (0.00011) RY*( 4) H 17 s( 22.36%)p 3.47( 77.64%) 0.0005 0.0249 0.4723 0.0804 0.1766 0.8595 495. (0.00003) RY*( 5) H 17 s( 5.17%)p18.33( 94.83%) 496. (0.00131) RY*( 1) H 18 s( 96.91%)p 0.03( 3.09%) -0.0028 0.9844 0.0024 0.0339 -0.1414 -0.0990 497. (0.00023) RY*( 2) H 18 s( 28.51%)p 2.51( 71.49%) -0.0013 -0.0592 0.5307 -0.6818 -0.4868 -0.1143 498. (0.00013) RY*( 3) H 18 s( 61.70%)p 0.62( 38.30%) 0.0016 0.0025 0.7855 0.5709 0.0003 0.2390 499. (0.00013) RY*( 4) H 18 s( 10.93%)p 8.15( 89.07%) -0.0024 0.0895 0.3183 -0.2835 0.8203 -0.3708 500. (0.00003) RY*( 5) H 18 s( 1.98%)p49.61( 98.02%) 501. (0.00278) RY*( 1) C 19 s( 1.69%)p52.81( 89.00%)d 5.52( 9.31%) 0.0000 -0.0068 0.1296 -0.0002 0.0013 -0.1540 0.0253 0.0156 -0.9271 -0.0241 -0.0110 -0.0697 -0.0207 -0.0521 -0.0025 0.0421 -0.0085 0.2737 0.0151 -0.0986 -0.0506 -0.0276 -0.0193 502. (0.00197) RY*( 2) C 19 s( 5.68%)p15.39( 87.35%)d 1.23( 6.97%) 0.0000 0.0011 0.2382 -0.0021 -0.0110 0.9252 -0.0053 0.0011 -0.1195 -0.0419 -0.0098 -0.0270 0.0217 0.0276 0.0105 -0.2242 -0.0624 0.0482 -0.0005 0.0758 -0.0171 -0.0255 -0.0756 503. (0.00074) RY*( 3) C 19 s( 50.01%)p 0.97( 48.61%)d 0.03( 1.38%) 0.0000 0.0120 0.7069 -0.0149 0.0044 -0.1916 -0.0235 -0.0060 0.1757 -0.0261 -0.0104 -0.6427 -0.0639 0.0173 0.0141 -0.0449 0.0226 0.0182 -0.0284 0.0703 -0.0494 0.0252 0.0405 504. (0.00044) RY*( 4) C 19 s( 37.58%)p 1.45( 54.45%)d 0.21( 7.97%) 0.0000 -0.0128 0.6129 -0.0057 0.0037 -0.0914 -0.0290 -0.0011 0.0661 -0.0203 0.0072 0.7021 -0.1936 -0.0570 -0.0443 0.1254 -0.0475 -0.0277 0.0913 -0.1264 0.0318 0.1102 -0.1353 505. (0.00025) RY*( 5) C 19 s( 0.75%)p 2.83( 2.11%)d99.99( 97.14%) 0.0000 -0.0073 0.0861 0.0002 0.0072 -0.0276 -0.0041 0.0050 0.0191 0.0508 0.0168 0.1238 0.0418 -0.5693 0.3449 -0.1829 0.1974 -0.0415 -0.0099 0.0785 -0.0617 -0.5832 0.3226 506. (0.00020) RY*( 6) C 19 s( 0.55%)p24.47( 13.58%)d99.99( 85.87%) 0.0000 -0.0026 0.0721 0.0186 -0.0204 -0.1914 0.0836 -0.0088 -0.1317 -0.0436 -0.0016 0.1060 0.2474 0.3650 -0.1410 -0.5838 0.1128 -0.3767 0.3696 0.1777 -0.0183 -0.1771 -0.1012 507. (0.00014) RY*( 7) C 19 s( 1.05%)p22.67( 23.84%)d71.43( 75.11%) 0.0000 0.0003 0.0596 0.0835 -0.0131 -0.0911 0.1630 0.0143 0.1934 -0.1744 -0.0020 0.0852 0.3579 0.1896 -0.0708 -0.2340 -0.1769 0.5499 -0.2912 -0.3277 0.1628 -0.3093 -0.0853 508. (0.00011) RY*( 8) C 19 s( 1.07%)p 6.60( 7.04%)d86.18( 91.89%) 0.0000 -0.0047 0.1025 0.0113 -0.0041 0.1069 -0.1292 0.0051 -0.0651 0.0795 0.0232 -0.0154 0.1758 0.3582 -0.1913 0.5608 -0.1662 -0.2605 0.0400 -0.0680 0.0261 -0.5168 0.2647 509. (0.00008) RY*( 9) C 19 s( 1.75%)p20.77( 36.26%)d35.51( 62.00%) 510. (0.00003) RY*(10) C 19 s( 0.21%)p33.28( 6.85%)d99.99( 92.94%) 511. (0.00001) RY*(11) C 19 s( 0.44%)p99.99( 90.08%)d21.31( 9.48%) 512. (0.00001) RY*(12) C 19 s( 0.36%)p36.15( 13.01%)d99.99( 86.63%) 513. (0.00002) RY*(13) C 19 s( 0.29%)p99.99( 93.62%)d21.20( 6.09%) 514. (0.00000) RY*(14) C 19 s( 0.39%)p16.43( 6.40%)d99.99( 93.21%) 515. (0.00000) RY*(15) C 19 s( 0.11%)p 3.14( 0.36%)d99.99( 99.53%) 516. (0.00000) RY*(16) C 19 s( 0.14%)p 8.28( 1.18%)d99.99( 98.68%) 517. (0.00000) RY*(17) C 19 s( 96.93%)p 0.02( 1.76%)d 0.01( 1.32%) 518. (0.00001) RY*(18) C 19 s( 1.06%)p23.30( 24.79%)d69.68( 74.14%) 519. (0.00221) RY*( 1) H 20 s( 99.43%)p 0.01( 0.57%) -0.0010 0.9971 -0.0022 -0.0129 0.0225 0.0710 520. (0.00032) RY*( 2) H 20 s( 84.17%)p 0.19( 15.83%) 0.0003 0.0201 0.9172 -0.2412 0.0467 -0.3129 521. (0.00019) RY*( 3) H 20 s( 0.30%)p99.99( 99.70%) 0.0005 0.0510 -0.0194 0.7669 0.1446 -0.6229 522. (0.00010) RY*( 4) H 20 s( 10.36%)p 8.65( 89.64%) 523. (0.00004) RY*( 5) H 20 s( 5.77%)p16.34( 94.23%) 524. (0.00190) RY*( 1) H 21 s( 97.58%)p 0.02( 2.42%) -0.0032 0.9878 -0.0018 -0.1003 -0.0410 0.1118 525. (0.00023) RY*( 2) H 21 s( 84.47%)p 0.18( 15.53%) 0.0005 0.0216 0.9188 -0.0984 0.3575 -0.1333 526. (0.00011) RY*( 3) H 21 s( 12.75%)p 6.84( 87.25%) 0.0015 0.0185 0.3566 0.4356 -0.8234 -0.0689 527. (0.00011) RY*( 4) H 21 s( 2.15%)p45.53( 97.85%) -0.0010 -0.0768 0.1249 0.2557 0.1082 0.9494 528. (0.00003) RY*( 5) H 21 s( 3.07%)p31.61( 96.93%) 529. (0.00179) RY*( 1) H 22 s( 97.83%)p 0.02( 2.17%) -0.0036 0.9891 0.0005 0.0242 0.0144 0.1446 530. (0.00024) RY*( 2) H 22 s( 66.45%)p 0.50( 33.55%) 0.0012 -0.0216 0.8149 -0.4769 -0.2178 0.2462 531. (0.00015) RY*( 3) H 22 s( 28.24%)p 2.54( 71.76%) 0.0011 0.0854 0.5245 0.4972 0.0980 -0.6788 532. (0.00011) RY*( 4) H 22 s( 5.55%)p17.01( 94.45%) -0.0017 -0.0839 0.2202 0.2348 0.8281 0.4512 533. (0.00002) RY*( 5) H 22 s( 1.95%)p50.32( 98.05%) 534. (0.00559) RY*( 1) C 23 s( 3.11%)p29.90( 92.85%)d 1.30( 4.04%) 0.0000 0.0005 0.1762 -0.0045 0.0282 0.9510 -0.0281 -0.0093 -0.1187 0.0371 -0.0083 -0.0777 0.0310 0.1778 -0.0526 0.0307 -0.0416 -0.0050 -0.0120 0.0144 0.0319 0.0312 0.0311 535. (0.00215) RY*( 2) C 23 s( 0.29%)p99.99( 89.69%)d33.97( 10.01%) 0.0000 -0.0125 0.0528 -0.0030 0.0109 -0.1717 -0.0967 -0.0051 -0.6662 0.0076 0.0038 -0.6405 -0.0621 0.0377 -0.0345 0.0637 -0.0788 0.0194 -0.0393 -0.0939 0.0767 0.2657 0.0057 536. (0.00161) RY*( 3) C 23 s( 3.33%)p24.50( 81.62%)d 4.52( 15.05%) 0.0000 -0.0164 0.1814 0.0117 0.0083 -0.0560 -0.0560 -0.0071 -0.5940 0.0578 -0.0051 0.6735 -0.0002 0.0218 -0.0774 -0.0130 0.1842 -0.2667 0.1313 -0.1027 -0.0236 0.0939 -0.0397 537. (0.00076) RY*( 4) C 23 s( 29.37%)p 0.44( 12.89%)d 1.97( 57.75%) 0.0000 -0.0004 0.5419 0.0043 0.0141 -0.1510 -0.0853 -0.0059 0.1060 0.0682 -0.0141 0.1281 0.2570 0.2064 0.3616 0.1058 -0.4921 0.0488 -0.0781 0.2195 0.1572 0.2605 -0.0393 538. (0.00064) RY*( 5) C 23 s( 45.86%)p 0.47( 21.65%)d 0.71( 32.49%) 0.0000 0.0044 0.6763 -0.0339 0.0088 -0.0786 0.0223 -0.0090 0.2284 0.1621 0.0099 -0.2386 -0.2724 -0.0529 -0.0204 0.0239 0.4084 -0.1978 0.2307 -0.1721 0.0675 -0.1591 -0.0496 539. (0.00040) RY*( 6) C 23 s( 0.92%)p 9.95( 9.17%)d97.48( 89.90%) 0.0000 -0.0048 0.0958 0.0054 0.0063 -0.0726 -0.2277 0.0061 -0.1162 -0.1183 0.0098 0.0415 0.0724 0.1559 -0.0984 0.2018 -0.2090 0.0438 -0.2988 -0.3423 0.2102 -0.6989 0.1989 540. (0.00033) RY*( 7) C 23 s( 0.42%)p13.16( 5.49%)d99.99( 94.09%) 0.0000 0.0007 0.0643 0.0057 -0.0045 -0.0167 0.0289 0.0037 0.0374 0.1112 -0.0089 0.0804 0.1828 -0.1291 -0.2349 -0.2282 0.3403 0.2944 -0.3193 0.0593 0.6284 0.2234 0.2535 541. (0.00023) RY*( 8) C 23 s( 7.39%)p 5.71( 42.18%)d 6.82( 50.43%) 0.0000 -0.0021 0.2719 -0.0016 -0.0037 0.0404 -0.2405 0.0015 0.0122 -0.6005 0.0037 -0.0330 0.0202 -0.3934 -0.1234 -0.3614 -0.0528 -0.1880 -0.3095 0.1142 -0.2339 0.0443 -0.0077 542. (0.00018) RY*( 9) C 23 s( 1.09%)p24.22( 26.47%)d66.29( 72.44%) 0.0000 -0.0030 0.0441 0.0947 -0.0047 0.0146 -0.3652 0.0201 -0.1120 0.0383 -0.0062 0.0693 -0.3345 -0.2558 -0.1729 0.0440 -0.1642 0.3784 0.3964 0.4850 0.1453 -0.2083 -0.0131 543. (0.00015) RY*(10) C 23 s( 1.04%)p 5.91( 6.13%)d89.59( 92.84%) 0.0000 0.0018 0.0637 0.0794 -0.0082 0.0518 -0.1700 -0.0076 0.1141 0.0351 -0.0102 0.0813 0.0925 -0.2930 -0.0443 -0.0578 -0.2145 0.3624 0.2956 -0.6756 -0.1438 0.2657 0.1573 544. (0.00010) RY*(11) C 23 s( 0.05%)p99.99( 41.85%)d99.99( 58.10%) 0.0000 -0.0017 0.0224 0.0035 0.0065 0.0025 0.1749 -0.0014 -0.0921 -0.3568 -0.0071 0.0963 -0.4927 0.3033 0.4779 -0.2669 0.1021 0.3100 0.0062 -0.0729 0.0281 0.0086 0.2767 545. (0.00007) RY*(12) C 23 s( 1.03%)p22.50( 23.25%)d73.26( 75.71%) 546. (0.00006) RY*(13) C 23 s( 3.66%)p 8.07( 29.49%)d18.29( 66.85%) 547. (0.00002) RY*(14) C 23 s( 4.16%)p10.20( 42.43%)d12.85( 53.42%) 548. (0.00003) RY*(15) C 23 s( 2.55%)p 1.87( 4.78%)d36.29( 92.67%) 549. (0.00003) RY*(16) C 23 s( 9.23%)p 5.81( 53.63%)d 4.03( 37.14%) 550. (0.00000) RY*(17) C 23 s( 86.32%)p 0.09( 8.19%)d 0.06( 5.50%) 551. (0.00001) RY*(18) C 23 s( 0.18%)p46.85( 8.47%)d99.99( 91.35%) 552. (0.00518) RY*( 1) H 24 s( 99.92%)p 0.00( 0.08%) 0.0026 0.9996 -0.0001 0.0247 -0.0146 -0.0024 553. (0.00023) RY*( 2) H 24 s( 31.86%)p 2.14( 68.14%) 0.0014 0.0008 0.5644 -0.3412 -0.4262 -0.6192 554. (0.00019) RY*( 3) H 24 s( 59.85%)p 0.67( 40.15%) 0.0019 -0.0073 0.7736 0.5062 0.3214 0.2050 555. (0.00012) RY*( 4) H 24 s( 6.67%)p13.98( 93.33%) -0.0044 0.0070 0.2582 -0.4470 -0.4002 0.7572 556. (0.00007) RY*( 5) H 24 s( 1.73%)p56.96( 98.27%) 557. (0.00300) RY*( 1) C 25 s( 1.90%)p48.19( 91.59%)d 3.42( 6.50%) 0.0000 -0.0002 0.1379 -0.0008 -0.0055 -0.0169 -0.0006 -0.0074 0.0511 -0.0022 0.0138 -0.9553 -0.0149 -0.0289 0.0252 0.1789 0.0473 0.1460 0.0315 0.0100 -0.0098 0.0582 0.0587 558. (0.00184) RY*( 2) C 25 s( 6.71%)p12.83( 86.12%)d 1.07( 7.17%) 0.0000 0.0124 0.2587 0.0016 -0.0042 0.2628 0.0208 0.0127 -0.8891 -0.0190 -0.0025 -0.0135 -0.0201 0.1613 0.0318 0.0298 0.0171 -0.0315 0.0158 -0.1688 -0.1073 0.0150 0.0449 559. (0.00044) RY*( 3) C 25 s( 35.73%)p 1.60( 57.13%)d 0.20( 7.14%) 0.0000 0.0114 0.5968 -0.0329 -0.0145 -0.7249 -0.1693 -0.0096 -0.0877 0.0366 -0.0030 0.0854 -0.0224 0.0434 -0.0863 0.0206 -0.0009 -0.0304 0.0424 0.1299 0.1854 -0.0871 -0.0076 560. (0.00022) RY*( 4) C 25 s( 3.74%)p 1.85( 6.93%)d23.85( 89.33%) 0.0000 -0.0043 0.1934 0.0042 0.0047 0.1681 -0.0127 -0.0074 0.0702 -0.0816 0.0023 0.1588 0.0630 -0.1501 0.0373 0.4290 -0.3668 0.5380 -0.3516 -0.1942 0.2424 -0.1667 0.1158 561. (0.00019) RY*( 5) C 25 s( 0.99%)p 7.87( 7.80%)d91.95( 91.21%) 0.0000 -0.0045 0.0913 -0.0396 -0.0064 0.1370 -0.1788 0.0087 0.0393 -0.1466 -0.0009 0.0631 0.0128 -0.0318 0.0699 0.5535 -0.3830 -0.3441 0.2403 0.4066 -0.2652 0.1459 -0.1411 562. (0.00015) RY*( 6) C 25 s( 10.69%)p 4.75( 50.79%)d 3.60( 38.53%) 0.0000 -0.0088 0.3139 -0.0908 0.0106 0.4726 -0.5056 -0.0106 0.1189 -0.1011 -0.0074 -0.0033 -0.0649 -0.1518 -0.0556 -0.2890 0.2187 0.0083 0.0431 0.3007 0.1026 -0.3321 0.1208 563. (0.00012) RY*( 7) C 25 s( 16.83%)p 1.14( 19.11%)d 3.80( 64.05%) 0.0000 -0.0091 0.4086 0.0362 0.0185 0.2272 0.2321 0.0210 0.1542 0.2422 0.0005 0.0442 0.0223 -0.4771 0.0320 -0.0069 0.0448 -0.3281 0.1487 -0.3383 0.2323 0.3309 -0.0462 564. (0.00007) RY*( 8) C 25 s( 3.91%)p 9.47( 37.01%)d15.11( 59.08%) 565. (0.00005) RY*( 9) C 25 s( 2.31%)p 2.77( 6.41%)d39.49( 91.28%) 566. (0.00000) RY*(10) C 25 s( 0.17%)p 9.58( 1.61%)d99.99( 98.22%) 567. (0.00001) RY*(11) C 25 s( 4.31%)p18.56( 79.94%)d 3.66( 15.75%) 568. (0.00000) RY*(12) C 25 s( 0.02%)p99.99( 2.83%)d99.99( 97.16%) 569. (0.00000) RY*(13) C 25 s( 97.78%)p 0.02( 1.64%)d 0.01( 0.57%) 570. (0.00000) RY*(14) C 25 s( 0.02%)p89.12( 2.16%)d99.99( 97.81%) 571. (0.00001) RY*(15) C 25 s( 0.00%)p 1.00( 98.03%)d 0.02( 1.97%) 572. (0.00001) RY*(16) C 25 s( 10.34%)p 0.74( 7.66%)d 7.93( 82.00%) 573. (0.00001) RY*(17) C 25 s( 4.57%)p 9.06( 41.36%)d11.84( 54.07%) 574. (0.00000) RY*(18) C 25 s( 0.02%)p98.52( 2.18%)d99.99( 97.80%) 575. (0.00175) RY*( 1) H 26 s( 98.31%)p 0.02( 1.69%) -0.0038 0.9915 -0.0008 0.1250 0.0326 -0.0135 576. (0.00020) RY*( 2) H 26 s( 79.64%)p 0.26( 20.36%) -0.0001 0.0173 0.8922 -0.0269 -0.2429 0.3794 577. (0.00013) RY*( 3) H 26 s( 1.40%)p70.44( 98.60%) 0.0016 0.0978 -0.0665 -0.6324 -0.6889 -0.3340 578. (0.00010) RY*( 4) H 26 s( 17.96%)p 4.57( 82.04%) 579. (0.00002) RY*( 5) H 26 s( 2.72%)p35.78( 97.28%) 580. (0.00155) RY*( 1) H 27 s( 96.64%)p 0.03( 3.36%) -0.0024 0.9830 0.0037 0.1145 0.1423 -0.0161 581. (0.00017) RY*( 2) H 27 s( 63.99%)p 0.56( 36.01%) -0.0005 -0.0893 0.7949 0.5657 0.1556 0.1259 582. (0.00012) RY*( 3) H 27 s( 10.67%)p 8.37( 89.33%) 0.0003 0.0836 0.3158 -0.1063 -0.5833 -0.7360 583. (0.00009) RY*( 4) H 27 s( 27.49%)p 2.64( 72.51%) 584. (0.00002) RY*( 5) H 27 s( 1.23%)p79.99( 98.77%) 585. (0.00112) RY*( 1) H 28 s( 95.72%)p 0.04( 4.28%) -0.0030 0.9783 -0.0056 0.1296 0.1093 0.1185 586. (0.00018) RY*( 2) H 28 s( 49.84%)p 1.01( 50.16%) -0.0002 0.0533 0.7040 0.0534 -0.6860 0.1677 587. (0.00013) RY*( 3) H 28 s( 3.27%)p29.57( 96.73%) -0.0037 0.0770 0.1636 -0.9378 0.1616 0.2484 588. (0.00009) RY*( 4) H 28 s( 45.43%)p 1.20( 54.57%) 589. (0.00003) RY*( 5) H 28 s( 5.75%)p16.39( 94.25%) 590. (0.00286) RY*( 1) C 29 s( 2.49%)p35.56( 88.62%)d 3.57( 8.89%) 0.0000 0.0003 0.1578 0.0048 -0.0142 0.8414 -0.0086 -0.0023 0.4152 -0.0251 0.0113 -0.0641 -0.0256 0.1182 0.0396 0.2266 0.0146 0.1372 -0.0077 0.0008 0.0209 -0.0133 -0.0476 591. (0.00215) RY*( 2) C 29 s( 8.50%)p 9.98( 84.78%)d 0.79( 6.73%) 0.0000 0.0078 0.2914 0.0004 -0.0048 0.3421 0.0167 0.0147 -0.7278 -0.0316 -0.0032 0.4467 -0.0052 0.0485 0.0413 0.0682 0.0375 -0.1853 -0.0809 -0.0274 0.0317 0.1167 0.0302 592. (0.00070) RY*( 3) C 29 s( 44.76%)p 1.16( 51.94%)d 0.07( 3.30%) 0.0000 0.0114 0.6687 -0.0194 0.0026 -0.2903 -0.0530 0.0089 0.4222 0.0879 0.0148 0.4922 0.0611 0.0274 -0.0247 -0.0529 0.0067 0.0459 0.0678 -0.0653 0.0090 0.1109 -0.0736 593. (0.00026) RY*( 4) C 29 s( 0.61%)p15.18( 9.30%)d99.99( 90.08%) 0.0000 -0.0024 0.0781 0.0049 -0.0061 0.0162 -0.0591 0.0063 -0.1325 0.1508 0.0045 -0.1680 0.1438 0.3057 -0.2437 -0.3344 0.2516 0.4524 -0.3136 -0.4113 0.3163 0.0232 -0.0053 594. (0.00018) RY*( 5) C 29 s( 13.35%)p 1.99( 26.52%)d 4.51( 60.13%) 0.0000 -0.0092 0.3625 -0.0441 0.0029 -0.0949 -0.0667 -0.0136 -0.2231 0.0765 -0.0010 -0.3050 0.3209 -0.1335 0.0019 0.3485 -0.4700 0.3824 -0.0584 0.1606 -0.0389 -0.2195 0.1266 595. (0.00013) RY*( 6) C 29 s( 3.46%)p 8.03( 27.80%)d19.85( 68.74%) 0.0000 -0.0016 0.1792 0.0501 -0.0093 -0.0663 0.1816 -0.0068 0.0064 -0.2621 -0.0172 0.0278 -0.4131 0.2240 -0.1139 -0.0030 0.0771 -0.0576 -0.0282 -0.0082 0.0555 -0.7184 0.3081 596. (0.00011) RY*( 7) C 29 s( 9.73%)p 2.34( 22.80%)d 6.93( 67.47%) 0.0000 -0.0089 0.3024 -0.0761 0.0138 0.1799 -0.0377 -0.0017 -0.0461 0.0770 -0.0139 -0.3129 0.2964 -0.3514 0.0843 -0.4972 0.2437 -0.2711 0.3079 -0.0406 -0.1030 -0.2232 0.0843 597. (0.00007) RY*( 8) C 29 s( 0.93%)p21.87( 20.24%)d85.19( 78.83%) 598. (0.00005) RY*( 9) C 29 s( 9.04%)p 2.16( 19.55%)d 7.90( 71.41%) 599. (0.00002) RY*(10) C 29 s( 2.96%)p10.04( 29.75%)d22.71( 67.29%) 600. (0.00001) RY*(11) C 29 s( 2.63%)p34.84( 91.67%)d 2.17( 5.70%) 601. (0.00001) RY*(12) C 29 s( 0.19%)p99.99( 90.02%)d50.53( 9.79%) 602. (0.00000) RY*(13) C 29 s( 0.71%)p 6.07( 4.32%)d99.99( 94.97%) 603. (0.00001) RY*(14) C 29 s( 1.19%)p 2.98( 3.54%)d80.31( 95.27%) 604. (0.00000) RY*(15) C 29 s( 96.71%)p 0.03( 2.70%)d 0.01( 0.59%) 605. (0.00000) RY*(16) C 29 s( 0.01%)p 1.00( 0.85%)d99.99( 99.14%) 606. (0.00000) RY*(17) C 29 s( 2.51%)p 8.84( 22.17%)d30.04( 75.32%) 607. (0.00000) RY*(18) C 29 s( 0.27%)p14.04( 3.72%)d99.99( 96.01%) 608. (0.00224) RY*( 1) H 30 s( 97.10%)p 0.03( 2.90%) -0.0014 0.9854 -0.0021 -0.0244 -0.0888 -0.1433 609. (0.00028) RY*( 2) H 30 s( 94.01%)p 0.06( 5.99%) 0.0012 0.0196 0.9694 -0.0030 0.2429 -0.0293 610. (0.00013) RY*( 3) H 30 s( 4.76%)p20.02( 95.24%) 0.0000 -0.0060 0.2180 0.3514 -0.8168 0.4022 611. (0.00010) RY*( 4) H 30 s( 0.85%)p99.99( 99.15%) -0.0053 0.0921 0.0036 -0.6898 0.0560 0.7159 612. (0.00004) RY*( 5) H 30 s( 3.29%)p29.37( 96.71%) 613. (0.00195) RY*( 1) H 31 s( 98.25%)p 0.02( 1.75%) -0.0033 0.9912 0.0025 0.0198 0.0337 -0.1265 614. (0.00022) RY*( 2) H 31 s( 46.09%)p 1.17( 53.91%) -0.0014 -0.0451 0.6774 -0.4358 -0.3232 -0.4947 615. (0.00013) RY*( 3) H 31 s( 34.01%)p 1.94( 65.99%) 0.0011 0.0031 0.5832 0.7968 -0.0697 0.1419 616. (0.00009) RY*( 4) H 31 s( 20.44%)p 3.89( 79.56%) 617. (0.00002) RY*( 5) H 31 s( 1.24%)p79.80( 98.76%) 618. (0.00211) RY*( 1) H 32 s( 98.38%)p 0.02( 1.62%) -0.0036 0.9919 0.0024 0.0563 -0.0430 -0.1058 619. (0.00026) RY*( 2) H 32 s( 59.82%)p 0.67( 40.18%) 0.0006 -0.0349 0.7726 -0.4046 -0.2129 -0.4391 620. (0.00012) RY*( 3) H 32 s( 9.25%)p 9.81( 90.75%) 0.0004 -0.0314 0.3025 0.5263 0.7330 -0.3054 621. (0.00010) RY*( 4) H 32 s( 30.44%)p 2.29( 69.56%) 0.0013 0.0811 0.5457 0.1232 0.0332 0.8242 622. (0.00003) RY*( 5) H 32 s( 2.14%)p45.79( 97.86%) 623. (0.00681) RY*( 1) C 33 s( 0.19%)p99.99( 95.60%)d22.48( 4.22%) 0.0000 0.0410 -0.0132 -0.0049 0.0085 0.0162 0.0061 0.0403 0.9631 -0.0015 0.0166 0.1617 -0.0079 -0.0312 -0.0440 -0.0592 0.0847 -0.0054 -0.0996 0.0715 0.0653 -0.0142 0.0951 624. (0.00378) RY*( 2) C 33 s( 1.74%)p47.20( 82.20%)d 9.22( 16.06%) 0.0000 -0.0036 0.1317 -0.0077 -0.0105 -0.2493 0.0055 0.0068 -0.1308 0.0133 -0.0268 0.8612 0.0092 0.2095 0.0011 -0.0286 -0.0088 -0.3331 0.0059 -0.0193 -0.0137 -0.0637 -0.0134 625. (0.00234) RY*( 3) C 33 s( 12.93%)p 5.60( 72.38%)d 1.14( 14.69%) 0.0000 -0.0081 0.3592 -0.0151 0.0345 -0.7530 0.0064 0.0061 0.1036 -0.0168 0.0182 -0.3796 -0.0095 0.2215 -0.0523 0.1846 -0.0213 -0.1742 -0.0327 0.0581 -0.0566 -0.0965 -0.1152 626. (0.00157) RY*( 4) C 33 s( 70.51%)p 0.34( 24.17%)d 0.08( 5.31%) 0.0000 -0.0010 0.8397 -0.0115 0.0046 0.4845 0.0045 0.0480 0.0265 -0.0550 -0.0026 -0.0295 0.0064 -0.0215 0.0525 0.1501 0.0350 -0.1314 0.0226 -0.0660 -0.0328 -0.0331 -0.0428 627. (0.00064) RY*( 5) C 33 s( 2.85%)p 0.95( 2.69%)d33.14( 94.46%) 0.0000 -0.0134 0.1669 0.0218 0.0001 -0.0597 -0.0118 -0.0122 -0.0435 -0.1180 0.0043 -0.0735 -0.0432 0.3120 0.0011 -0.6333 -0.0018 0.2148 -0.2563 -0.4505 0.0795 -0.1474 0.3214 628. (0.00062) RY*( 6) C 33 s( 0.14%)p 8.23( 1.19%)d99.99( 98.67%) 0.0000 0.0090 0.0300 -0.0216 -0.0032 -0.0219 0.0131 0.0065 0.0581 0.0313 0.0118 -0.0803 -0.0155 -0.0584 0.0153 -0.2891 -0.2976 -0.3327 0.0095 -0.0810 -0.3393 0.7604 0.0161 629. (0.00041) RY*( 7) C 33 s( 0.61%)p 9.97( 6.03%)d99.99( 93.36%) 0.0000 -0.0277 0.0514 -0.0514 0.0160 -0.1152 0.0589 0.0016 0.0365 0.0652 0.0053 0.1526 0.1202 0.1454 0.1305 0.5351 -0.0828 0.4760 0.0003 -0.3925 0.1057 0.3939 0.2352 630. (0.00030) RY*( 8) C 33 s( 6.41%)p 2.67( 17.12%)d11.94( 76.48%) 0.0000 -0.0089 0.2485 -0.0471 0.0075 -0.3316 -0.0323 0.0126 -0.0473 -0.0453 -0.0006 0.1563 -0.1767 -0.7671 0.1557 -0.1956 0.0328 0.2961 0.1214 0.0250 -0.0222 -0.0066 0.0957 631. (0.00023) RY*( 9) C 33 s( 2.35%)p 5.21( 12.22%)d36.42( 85.44%) 0.0000 0.0148 0.1507 0.0228 0.0037 -0.0120 0.1251 -0.0035 -0.0333 -0.2425 0.0172 0.0755 0.2010 0.3290 0.0977 -0.2152 0.0509 0.4263 0.1962 0.6498 -0.0662 0.2010 0.0209 632. (0.00014) RY*(10) C 33 s( 0.11%)p99.99( 33.38%)d99.99( 66.50%) 0.0000 -0.0066 0.0290 -0.0159 -0.0039 -0.0195 0.2932 0.0004 0.0017 -0.1810 -0.0107 0.0945 0.4535 -0.1865 -0.4236 -0.0387 -0.1125 0.2016 -0.3505 -0.1458 -0.1512 -0.0253 -0.4779 633. (0.00009) RY*(11) C 33 s( 0.25%)p99.99( 26.06%)d99.99( 73.69%) 634. (0.00007) RY*(12) C 33 s( 0.09%)p11.31( 0.97%)d99.99( 98.95%) 635. (0.00005) RY*(13) C 33 s( 0.68%)p57.43( 38.84%)d89.43( 60.48%) 636. (0.00003) RY*(14) C 33 s( 0.52%)p30.49( 15.91%)d99.99( 83.57%) 637. (0.00003) RY*(15) C 33 s( 3.70%)p21.02( 77.87%)d 4.97( 18.42%) 638. (0.00002) RY*(16) C 33 s( 1.26%)p 2.46( 3.11%)d75.70( 95.62%) 639. (0.00001) RY*(17) C 33 s( 0.15%)p99.99( 87.27%)d81.48( 12.58%) 640. (0.00001) RY*(18) C 33 s( 95.59%)p 0.03( 3.20%)d 0.01( 1.21%) 641. (0.00858) RY*( 1) C 34 s( 0.07%)p99.99( 94.14%)d82.88( 5.79%) 0.0000 -0.0080 0.0250 0.0032 0.0110 0.1662 -0.0026 -0.0126 -0.8462 0.0175 0.0245 0.4434 -0.0011 -0.0337 -0.0717 0.0679 -0.0199 -0.0610 -0.1932 -0.0319 0.0659 0.0089 0.0090 642. (0.00577) RY*( 2) C 34 s( 0.48%)p99.99( 96.19%)d 6.99( 3.34%) 0.0000 0.0036 0.0687 0.0070 0.0029 0.7432 -0.0036 -0.0131 0.4223 0.0421 0.0052 0.4786 0.0137 0.0031 -0.0020 0.0272 -0.0605 0.0273 -0.0867 -0.1036 -0.0296 0.0143 -0.0942 643. (0.00406) RY*( 3) C 34 s( 3.18%)p29.11( 92.60%)d 1.33( 4.22%) 0.0000 0.0100 0.1779 0.0075 -0.0229 0.5964 -0.0261 0.0075 -0.2469 -0.0320 0.0125 -0.7119 -0.0067 0.0645 0.1237 0.0209 0.0702 -0.0783 -0.0173 -0.0193 0.0776 0.0404 0.0537 644. (0.00241) RY*( 4) C 34 s( 88.70%)p 0.06( 4.94%)d 0.07( 6.36%) 0.0000 -0.0107 0.9417 -0.0025 -0.0018 -0.1706 0.0439 0.0076 0.0470 -0.0477 -0.0231 0.0838 0.0791 -0.0659 -0.0105 0.1658 -0.0342 -0.0807 0.0856 -0.0147 0.0817 0.0689 -0.0708 645. (0.00062) RY*( 5) C 34 s( 1.43%)p 4.76( 6.80%)d64.24( 91.78%) 0.0000 0.0035 0.1174 -0.0220 -0.0021 -0.0413 -0.0520 0.0047 -0.0348 -0.1263 0.0008 -0.1152 -0.1819 0.3739 -0.2387 -0.0511 -0.0746 0.3937 -0.4184 0.0745 -0.3760 -0.0368 -0.4842 646. (0.00055) RY*( 6) C 34 s( 0.41%)p 3.34( 1.36%)d99.99( 98.23%) 0.0000 -0.0034 0.0634 -0.0076 0.0081 -0.0066 0.0047 0.0005 0.0128 0.0583 -0.0084 -0.0823 -0.0558 -0.4099 -0.2133 -0.3435 -0.2679 0.3569 -0.2180 -0.1924 0.0127 0.5230 0.3056 647. (0.00036) RY*( 7) C 34 s( 0.07%)p99.99( 18.63%)d99.99( 81.30%) 0.0000 0.0036 -0.0086 0.0249 0.0047 0.0594 -0.0069 0.0055 -0.0990 -0.4063 0.0056 0.0270 -0.0840 -0.1457 0.0612 -0.3308 -0.3294 -0.3731 0.3806 -0.0249 -0.4903 0.0964 -0.1890 648. (0.00031) RY*( 8) C 34 s( 0.02%)p99.99( 2.24%)d99.99( 97.74%) 0.0000 0.0036 -0.0080 0.0093 -0.0098 0.0417 0.1145 -0.0040 0.0166 -0.0476 0.0056 -0.0521 -0.0464 -0.5844 0.2472 0.3230 -0.1660 0.1390 -0.2382 0.4812 -0.2421 -0.2737 0.0428 649. (0.00023) RY*( 9) C 34 s( 0.15%)p93.95( 14.36%)d99.99( 85.48%) 0.0000 0.0135 0.0280 0.0237 0.0020 0.0134 0.0431 -0.0195 0.0523 0.2961 -0.0055 0.0311 0.2232 0.2422 -0.0880 -0.1519 0.0288 -0.3750 -0.2010 0.6225 -0.1699 0.3853 0.1367 650. (0.00014) RY*(10) C 34 s( 2.74%)p 1.89( 5.18%)d33.55( 92.07%) 0.0000 0.0154 0.1643 0.0150 -0.0050 0.1082 -0.0017 0.0037 -0.1105 0.0608 -0.0022 0.1294 -0.0862 0.0726 0.0876 -0.4239 0.3177 0.4896 0.4270 0.3335 -0.1108 -0.1897 0.2136 651. (0.00014) RY*(11) C 34 s( 2.62%)p 5.07( 13.28%)d32.11( 84.10%) 0.0000 0.0073 -0.0270 0.1594 -0.0016 0.0435 -0.1934 -0.0059 0.0467 -0.0720 0.0065 -0.0288 -0.2920 -0.4099 -0.4577 -0.0940 0.4515 -0.1919 0.0204 0.1956 0.2339 0.0476 -0.3440 652. (0.00009) RY*(12) C 34 s( 4.37%)p 1.41( 6.16%)d20.48( 89.47%) 653. (0.00005) RY*(13) C 34 s( 0.32%)p87.23( 27.74%)d99.99( 71.94%) 654. (0.00005) RY*(14) C 34 s( 1.04%)p33.89( 35.34%)d61.01( 63.62%) 655. (0.00003) RY*(15) C 34 s( 0.40%)p99.99( 87.25%)d30.59( 12.35%) 656. (0.00001) RY*(16) C 34 s( 0.03%)p99.99( 92.44%)d99.99( 7.53%) 657. (0.00001) RY*(17) C 34 s( 94.02%)p 0.01( 0.50%)d 0.06( 5.48%) 658. (0.00001) RY*(18) C 34 s( 0.01%)p 1.00( 0.99%)d99.98( 99.00%) 659. (0.00573) RY*( 1) C 35 s( 0.58%)p99.99( 93.18%)d10.84( 6.25%) 0.0000 -0.0219 0.0713 -0.0139 -0.0146 -0.3629 0.0074 0.0025 -0.1636 -0.0108 -0.0289 -0.8786 0.0118 0.0086 -0.0767 -0.0316 -0.0636 -0.0094 -0.0936 0.0377 -0.1275 -0.0043 -0.1579 660. (0.00189) RY*( 2) C 35 s( 6.04%)p14.11( 85.26%)d 1.44( 8.70%) 0.0000 0.0173 0.2452 -0.0024 0.0022 -0.1995 -0.0323 -0.0225 0.8871 0.0913 -0.0039 -0.1130 -0.0573 -0.1136 0.0240 0.0271 0.0199 -0.1289 -0.0005 -0.1538 0.1442 -0.0575 0.0895 661. (0.00143) RY*( 3) C 35 s( 0.30%)p99.99( 89.85%)d32.50( 9.85%) 0.0000 0.0024 0.0547 0.0054 0.0002 0.8557 -0.0546 0.0025 0.1024 0.0051 -0.0014 -0.3886 0.0413 0.1249 0.0463 0.1522 -0.0450 -0.1288 0.0199 0.0147 0.0014 -0.1745 0.0889 662. (0.00088) RY*( 4) C 35 s( 83.21%)p 0.10( 8.40%)d 0.10( 8.39%) 0.0000 -0.0134 0.9113 -0.0393 -0.0083 0.0520 0.0658 0.0089 -0.1808 -0.1630 -0.0242 0.1185 0.0541 -0.0040 -0.0047 0.1274 -0.1124 0.1019 -0.0632 -0.0724 0.0047 0.1426 -0.1225 663. (0.00045) RY*( 5) C 35 s( 0.44%)p21.03( 9.21%)d99.99( 90.35%) 0.0000 -0.0113 0.0604 0.0245 -0.0005 -0.0993 0.0375 0.0068 -0.2699 -0.0705 -0.0138 -0.0354 -0.0392 0.0789 0.3550 -0.1896 0.1023 -0.5271 0.1420 -0.5664 0.1849 -0.1333 0.2326 664. (0.00043) RY*( 6) C 35 s( 0.16%)p20.05( 3.26%)d99.99( 96.58%) 0.0000 -0.0081 0.0392 0.0048 -0.0096 0.0008 -0.0267 0.0041 -0.1707 -0.0075 -0.0045 -0.0507 -0.0008 -0.7724 -0.1637 0.1579 0.0136 0.0983 0.3030 0.0296 0.2115 -0.3887 0.1382 665. (0.00028) RY*( 7) C 35 s( 1.95%)p14.16( 27.65%)d36.06( 70.40%) 0.0000 0.0060 0.1285 -0.0545 -0.0006 -0.0073 -0.0728 0.0062 -0.0241 0.5177 -0.0013 0.0456 -0.0201 -0.0812 0.1840 -0.0424 -0.1235 -0.3858 0.4995 0.3202 -0.2746 0.1680 -0.2050 666. (0.00016) RY*( 8) C 35 s( 1.98%)p13.27( 26.22%)d36.35( 71.81%) 0.0000 0.0264 0.1368 -0.0189 0.0016 0.0046 0.0827 -0.0026 0.0960 -0.4868 0.0020 -0.0432 0.0850 0.0841 0.0070 -0.5076 0.3352 -0.0194 0.3083 0.4451 -0.0716 -0.0882 0.1858 667. (0.00014) RY*( 9) C 35 s( 6.41%)p 2.16( 13.84%)d12.43( 79.75%) 0.0000 -0.0035 0.0289 0.2516 -0.0010 -0.0100 0.1427 0.0231 -0.0854 0.1554 0.0009 -0.0451 0.2897 -0.1392 -0.0819 0.1195 0.1986 -0.3462 -0.3369 0.3440 0.3588 0.3817 0.3026 668. (0.00009) RY*(10) C 35 s( 0.85%)p12.38( 10.48%)d99.99( 88.67%) 669. (0.00003) RY*(11) C 35 s( 1.34%)p 2.64( 3.53%)d71.19( 95.13%) 670. (0.00004) RY*(12) C 35 s( 1.13%)p 6.17( 7.00%)d80.97( 91.87%) 671. (0.00003) RY*(13) C 35 s( 10.69%)p 6.19( 66.16%)d 2.17( 23.15%) 672. (0.00001) RY*(14) C 35 s( 77.28%)p 0.26( 20.29%)d 0.03( 2.43%) 673. (0.00000) RY*(15) C 35 s( 0.75%)p 5.48( 4.11%)d99.99( 95.14%) 674. (0.00001) RY*(16) C 35 s( 2.83%)p 8.38( 23.70%)d25.98( 73.47%) 675. (0.00001) RY*(17) C 35 s( 2.78%)p34.41( 95.55%)d 0.60( 1.67%) 676. (0.00000) RY*(18) C 35 s( 1.43%)p 8.66( 12.42%)d60.09( 86.15%) 677. (0.00304) RY*( 1) H 36 s( 99.22%)p 0.01( 0.78%) -0.0030 0.9961 -0.0003 0.0378 -0.0364 0.0707 678. (0.00028) RY*( 2) H 36 s( 85.75%)p 0.17( 14.25%) 0.0033 0.0132 0.9259 -0.0003 -0.2299 -0.2994 679. (0.00027) RY*( 3) H 36 s( 0.84%)p99.99( 99.16%) 0.0004 0.0014 0.0914 -0.9044 -0.1412 0.3921 680. (0.00006) RY*( 4) H 36 s( 4.91%)p19.38( 95.09%) 681. (0.00004) RY*( 5) H 36 s( 9.30%)p 9.75( 90.70%) 682. (0.00536) RY*( 1) C 37 s( 0.95%)p93.46( 88.80%)d10.79( 10.25%) 0.0000 -0.0270 0.0830 -0.0434 -0.0008 -0.0186 -0.0050 -0.0354 0.9017 0.0078 -0.0102 0.2704 0.0017 0.0303 -0.0482 -0.0990 0.1454 0.0137 -0.1305 0.0480 0.1216 -0.0568 0.1754 683. (0.00192) RY*( 2) C 37 s( 0.03%)p99.99( 99.77%)d 6.21( 0.20%) 0.0000 0.0007 0.0177 -0.0029 -0.0175 -0.5003 0.0725 0.0100 0.2347 -0.0554 -0.0342 -0.8067 0.1776 0.0067 -0.0114 -0.0040 -0.0158 -0.0293 -0.0084 -0.0224 -0.0045 -0.0010 -0.0103 684. (0.00128) RY*( 3) C 37 s( 4.19%)p20.54( 86.02%)d 2.34( 9.79%) 0.0000 -0.0002 0.2046 -0.0043 0.0040 -0.7808 -0.1542 -0.0040 -0.1576 -0.0089 0.0012 0.4477 0.0373 0.2435 -0.0699 0.0610 -0.0557 -0.1088 0.0507 -0.1050 0.0363 -0.0127 -0.0006 685. (0.00078) RY*( 4) C 37 s( 57.22%)p 0.11( 6.37%)d 0.64( 36.41%) 0.0000 -0.0019 0.7564 0.0029 0.0016 0.1431 0.0089 -0.0074 -0.1626 0.0275 -0.0024 -0.1258 -0.0084 0.0056 -0.0221 -0.2026 0.1119 0.2486 -0.1648 -0.2899 0.1983 -0.2481 0.1902 686. (0.00048) RY*( 5) C 37 s( 0.01%)p 1.00( 0.35%)d99.99( 99.64%) 0.0000 0.0013 0.0096 0.0006 0.0074 -0.0508 -0.0111 0.0023 -0.0185 0.0093 -0.0045 0.0058 0.0150 -0.1110 -0.1017 0.4850 0.2555 0.2011 0.0606 0.3832 0.1712 -0.6184 -0.2657 687. (0.00030) RY*( 6) C 37 s( 18.72%)p 0.28( 5.19%)d 4.07( 76.09%) 0.0000 -0.0194 0.4223 -0.0919 0.0035 0.0880 -0.0418 -0.0252 0.1251 -0.1520 -0.0086 -0.0087 -0.0534 -0.2886 0.0951 0.5841 -0.1752 -0.2087 0.0933 -0.0366 0.1489 0.4425 -0.1586 688. (0.00018) RY*( 7) C 37 s( 0.17%)p63.40( 10.71%)d99.99( 89.12%) 0.0000 -0.0005 0.0377 -0.0163 0.0005 -0.0151 -0.1309 -0.0024 0.0185 0.0652 0.0011 -0.0467 -0.2880 0.0715 -0.3970 0.0398 -0.1431 0.0945 -0.6998 0.0430 -0.2447 0.1012 -0.3686 689. (0.00009) RY*( 8) C 37 s( 17.46%)p 0.14( 2.41%)d 4.59( 80.13%) 690. (0.00006) RY*( 9) C 37 s( 0.22%)p99.99( 62.30%)d99.99( 37.48%) 691. (0.00003) RY*(10) C 37 s( 2.37%)p 7.24( 17.17%)d33.95( 80.46%) 692. (0.00004) RY*(11) C 37 s( 16.51%)p 3.33( 54.93%)d 1.73( 28.56%) 693. (0.00003) RY*(12) C 37 s( 1.23%)p15.91( 19.64%)d64.10( 79.13%) 694. (0.00004) RY*(13) C 37 s( 1.99%)p 8.04( 15.97%)d41.30( 82.05%) 695. (0.00002) RY*(14) C 37 s( 0.61%)p27.17( 16.47%)d99.99( 82.93%) 696. (0.00001) RY*(15) C 37 s( 0.67%)p99.99( 84.96%)d21.34( 14.36%) 697. (0.00000) RY*(16) C 37 s( 1.45%)p 3.92( 5.69%)d63.96( 92.85%) 698. (0.00000) RY*(17) C 37 s( 0.49%)p 3.18( 1.56%)d99.99( 97.96%) 699. (0.00000) RY*(18) C 37 s( 75.86%)p 0.29( 21.80%)d 0.03( 2.35%) 700. (0.00201) RY*( 1) H 38 s( 98.98%)p 0.01( 1.02%) 0.0019 0.9949 0.0027 -0.0156 -0.0961 -0.0261 701. (0.00024) RY*( 2) H 38 s( 92.29%)p 0.08( 7.71%) 0.0030 -0.0308 0.9602 -0.0413 -0.2611 -0.0851 702. (0.00023) RY*( 3) H 38 s( 0.11%)p99.99( 99.89%) 0.0000 0.0131 0.0302 0.8933 0.1101 -0.4345 703. (0.00006) RY*( 4) H 38 s( 0.03%)p99.99( 99.97%) 704. (0.00004) RY*( 5) H 38 s( 8.61%)p10.61( 91.39%) 705. (0.00575) RY*( 1) C 39 s( 0.73%)p99.99( 92.85%)d 8.75( 6.42%) 0.0000 -0.0219 0.0811 -0.0166 0.0127 0.3543 -0.0023 -0.0144 -0.6004 -0.0029 0.0249 0.6643 -0.0147 0.0130 0.0992 -0.0168 -0.0138 -0.0213 0.2214 0.0513 -0.0297 -0.0168 0.0208 706. (0.00197) RY*( 2) C 39 s( 5.59%)p15.51( 86.74%)d 1.37( 7.67%) 0.0000 0.0156 0.2359 -0.0037 -0.0020 -0.0344 0.0539 -0.0200 0.6583 0.0324 -0.0105 0.6505 0.0716 0.0209 -0.0343 0.1035 -0.0040 0.1887 -0.1412 -0.0048 0.0671 0.0499 0.0422 707. (0.00134) RY*( 3) C 39 s( 1.26%)p70.35( 88.49%)d 8.15( 10.25%) 0.0000 0.0051 0.1120 0.0031 -0.0026 0.8716 -0.0496 -0.0053 0.2332 0.0645 0.0002 -0.2447 0.0653 0.2451 -0.0576 0.0010 0.0093 -0.0675 -0.0157 -0.0777 0.0573 0.1414 -0.0699 708. (0.00079) RY*( 4) C 39 s( 81.74%)p 0.12( 9.46%)d 0.11( 8.80%) 0.0000 -0.0122 0.9034 -0.0343 0.0141 -0.1109 -0.0454 -0.0050 -0.0842 -0.1228 0.0201 -0.1717 -0.1672 -0.0990 0.0777 0.1172 -0.0740 -0.1394 0.1124 -0.1282 0.0622 -0.0198 -0.0121 709. (0.00050) RY*( 5) C 39 s( 0.19%)p56.38( 10.96%)d99.99( 88.84%) 0.0000 -0.0147 0.0353 0.0221 0.0023 -0.0801 0.0169 -0.0020 -0.2776 -0.1450 0.0149 -0.0338 -0.0589 0.5303 -0.0905 0.3556 0.0569 0.4921 -0.3812 -0.1889 0.1671 -0.0409 -0.1289 710. (0.00044) RY*( 6) C 39 s( 0.55%)p 5.94( 3.24%)d99.99( 96.21%) 0.0000 -0.0089 0.0710 0.0184 0.0116 0.0339 -0.0260 0.0005 -0.1477 0.0186 0.0039 -0.0398 0.0821 -0.3996 -0.2915 -0.2942 -0.2123 0.4487 -0.1129 -0.2038 -0.0260 0.5713 0.0556 711. (0.00029) RY*( 7) C 39 s( 4.12%)p 2.61( 10.76%)d20.65( 85.12%) 0.0000 0.0097 0.1952 -0.0548 0.0052 -0.0112 0.0889 0.0028 -0.0590 0.2632 0.0048 -0.0575 0.1530 0.0368 -0.0091 0.0591 -0.0912 0.1223 -0.1809 0.6071 -0.4906 0.0537 -0.4221 712. (0.00020) RY*( 8) C 39 s( 0.54%)p73.64( 39.44%)d99.99( 60.02%) 0.0000 0.0201 0.0670 0.0216 -0.0003 0.1551 -0.1053 -0.0023 0.0278 -0.4415 -0.0049 0.0116 -0.4043 -0.0589 -0.1961 -0.3984 0.1596 0.1178 -0.3149 0.2966 -0.1618 -0.3079 0.2283 713. (0.00013) RY*( 9) C 39 s( 6.35%)p 1.95( 12.35%)d12.81( 81.30%) 0.0000 -0.0047 0.0254 0.2506 0.0047 -0.0017 -0.0996 0.0202 -0.1141 0.2751 0.0106 -0.0066 -0.1561 -0.1120 0.0022 0.2465 0.2344 -0.2055 -0.3123 0.4144 0.4003 0.3397 0.3126 714. (0.00011) RY*(10) C 39 s( 0.36%)p23.84( 8.63%)d99.99( 91.01%) 0.0000 0.0098 0.0579 0.0132 -0.0084 -0.2467 -0.0755 0.0019 -0.0027 -0.0653 0.0063 0.1159 -0.0440 0.5512 -0.4026 -0.3491 0.0902 -0.3610 0.1399 0.0267 -0.0199 0.3852 -0.1218 715. (0.00003) RY*(11) C 39 s( 10.68%)p 5.12( 54.67%)d 3.25( 34.65%) 716. (0.00004) RY*(12) C 39 s( 1.16%)p11.34( 13.13%)d74.03( 85.71%) 717. (0.00001) RY*(13) C 39 s( 4.27%)p12.02( 51.39%)d10.37( 44.33%) 718. (0.00001) RY*(14) C 39 s( 0.95%)p90.63( 86.24%)d13.46( 12.81%) 719. (0.00001) RY*(15) C 39 s( 1.52%)p 6.50( 9.90%)d58.12( 88.57%) 720. (0.00001) RY*(16) C 39 s( 0.37%)p21.63( 8.11%)d99.99( 91.52%) 721. (0.00001) RY*(17) C 39 s( 79.17%)p 0.08( 6.09%)d 0.19( 14.75%) 722. (0.00001) RY*(18) C 39 s( 0.58%)p13.15( 7.64%)d99.99( 91.78%) 723. (0.00287) RY*( 1) H 40 s( 99.16%)p 0.01( 0.84%) -0.0029 0.9958 -0.0010 -0.0212 0.0216 -0.0867 724. (0.00029) RY*( 2) H 40 s( 55.27%)p 0.81( 44.73%) 0.0024 0.0268 0.7430 -0.4752 -0.3330 0.3326 725. (0.00024) RY*( 3) H 40 s( 32.80%)p 2.05( 67.20%) 0.0023 -0.0042 0.5727 0.7706 -0.0874 -0.2656 726. (0.00006) RY*( 4) H 40 s( 3.82%)p25.18( 96.18%) 727. (0.00004) RY*( 5) H 40 s( 8.97%)p10.15( 91.03%) 728. (0.00916) RY*( 1) C 41 s( 0.33%)p99.99( 94.27%)d16.49( 5.40%) 0.0000 -0.0079 0.0566 -0.0013 -0.0101 -0.4354 0.0049 -0.0010 -0.4914 0.0203 -0.0299 -0.7143 0.0065 0.0037 -0.0521 0.0647 -0.0365 0.0133 -0.0704 -0.0076 -0.1492 0.0716 -0.1148 729. (0.00546) RY*( 2) C 41 s( 0.65%)p99.99( 95.40%)d 6.13( 3.96%) 0.0000 -0.0047 0.0802 -0.0012 0.0035 -0.4591 0.0092 0.0054 -0.5604 -0.0201 0.0156 0.6540 -0.0252 -0.0940 0.1147 -0.0622 0.0152 0.0406 0.0893 0.0413 0.0010 0.0417 -0.0212 730. (0.00440) RY*( 3) C 41 s( 0.62%)p99.99( 94.85%)d 7.27( 4.53%) 0.0000 0.0003 0.0784 0.0088 -0.0020 0.7453 -0.0029 0.0100 -0.6233 -0.0587 0.0003 -0.0262 0.0161 0.0448 -0.0308 0.0635 -0.0534 -0.0437 0.1793 0.0342 -0.0101 -0.0081 -0.0079 731. (0.00217) RY*( 4) C 41 s( 91.33%)p 0.03( 2.88%)d 0.06( 5.79%) 0.0000 -0.0068 0.9557 0.0006 0.0160 0.0055 -0.0281 -0.0039 0.1235 0.0117 0.0148 0.0043 -0.1099 0.0495 -0.0151 0.1022 0.1194 -0.0510 -0.0086 -0.0476 -0.0233 0.1526 0.0414 732. (0.00054) RY*( 5) C 41 s( 1.25%)p 8.09( 10.12%)d70.83( 88.63%) 0.0000 0.0029 0.1118 0.0012 0.0009 0.0624 0.1037 0.0043 -0.0774 -0.2346 0.0033 0.1054 0.1201 -0.1706 -0.3160 -0.1933 -0.1191 -0.1843 -0.6692 -0.1728 -0.0617 -0.3745 -0.2238 733. (0.00045) RY*( 6) C 41 s( 0.15%)p64.73( 9.57%)d99.99( 90.28%) 0.0000 -0.0093 0.0278 -0.0248 -0.0027 0.0890 0.0051 -0.0091 0.0597 0.2890 0.0060 0.0193 -0.0110 -0.6352 0.2802 0.2807 -0.1946 0.0903 -0.0349 -0.0021 -0.5247 -0.1268 0.0585 734. (0.00035) RY*( 7) C 41 s( 0.05%)p99.99( 20.51%)d99.99( 79.44%) 0.0000 -0.0021 -0.0040 0.0225 -0.0024 0.0150 -0.0381 0.0089 -0.0720 -0.4213 -0.0004 -0.0732 -0.1237 -0.1253 0.1825 0.2295 0.1486 0.3948 -0.3523 0.2883 0.2426 -0.0846 0.4914 735. (0.00027) RY*( 8) C 41 s( 0.02%)p99.99( 7.45%)d99.99( 92.53%) 0.0000 0.0097 -0.0011 -0.0092 0.0083 -0.0310 -0.1223 -0.0139 0.0034 0.2389 -0.0052 0.0334 0.0088 0.0781 0.0355 0.3470 0.0628 -0.4294 -0.1401 0.6873 0.1633 -0.1811 -0.2403 736. (0.00026) RY*( 9) C 41 s( 0.22%)p 4.36( 0.95%)d99.99( 98.83%) 0.0000 0.0141 0.0171 0.0410 -0.0125 0.0667 0.0420 -0.0111 0.0239 0.0083 -0.0031 -0.0319 -0.0365 -0.2407 -0.0730 -0.5059 -0.3245 -0.1008 -0.1474 0.4314 -0.0144 0.5745 0.1247 737. (0.00014) RY*(10) C 41 s( 2.52%)p 3.29( 8.31%)d35.33( 89.16%) 0.0000 0.0094 0.1585 0.0059 -0.0001 -0.0345 0.0732 -0.0009 0.0318 -0.0499 0.0064 -0.1723 0.2083 -0.5017 0.0435 -0.3203 0.1068 0.0682 0.3999 0.1146 0.4431 -0.3586 -0.1461 738. (0.00012) RY*(11) C 41 s( 2.34%)p 3.06( 7.16%)d38.68( 90.50%) 0.0000 -0.0077 -0.0762 0.1324 -0.0081 0.0997 0.0804 -0.0006 0.0319 -0.0601 -0.0027 0.0596 0.2166 -0.2078 -0.0646 0.2288 0.4028 0.3149 -0.1482 -0.0050 0.0559 0.4672 -0.5482 739. (0.00008) RY*(12) C 41 s( 1.00%)p12.71( 12.73%)d86.13( 86.27%) 740. (0.00009) RY*(13) C 41 s( 3.67%)p 2.94( 10.76%)d23.34( 85.57%) 741. (0.00006) RY*(14) C 41 s( 0.22%)p99.99( 49.59%)d99.99( 50.19%) 742. (0.00002) RY*(15) C 41 s( 0.50%)p99.99( 82.88%)d33.14( 16.61%) 743. (0.00001) RY*(16) C 41 s( 94.81%)p 0.00( 0.33%)d 0.05( 4.86%) 744. (0.00001) RY*(17) C 41 s( 0.18%)p99.99( 92.09%)d41.78( 7.72%) 745. (0.00001) RY*(18) C 41 s( 0.20%)p 1.60( 0.32%)d99.99( 99.48%) 746. (0.00625) RY*( 1) C 42 s( 1.51%)p63.07( 95.48%)d 1.98( 3.00%) 0.0000 0.0038 0.1229 -0.0040 0.0096 0.2629 -0.0246 0.0261 0.6174 -0.0331 0.0130 0.7080 -0.0218 -0.0176 -0.0033 -0.0522 0.0261 -0.0404 0.0223 0.1254 -0.0451 0.0802 -0.0037 747. (0.00304) RY*( 2) C 42 s( 0.03%)p99.99( 98.00%)d62.31( 1.97%) 0.0000 -0.0083 0.0132 -0.0085 0.0059 -0.9361 -0.1008 -0.0043 0.0319 -0.0111 -0.0036 0.3021 0.0319 -0.0016 0.0464 -0.0783 0.0006 -0.0015 -0.0131 -0.0227 0.0066 0.1029 -0.0074 748. (0.00184) RY*( 3) C 42 s( 5.51%)p14.79( 81.53%)d 2.35( 12.96%) 0.0000 -0.0183 0.2340 0.0033 0.0066 -0.1744 0.0098 0.0096 0.6635 -0.1224 0.0106 -0.5708 -0.0593 -0.0867 0.0700 0.1644 -0.1019 -0.2307 0.0101 0.0734 0.0086 -0.0356 -0.1404 749. (0.00068) RY*( 4) C 42 s( 41.62%)p 0.42( 17.36%)d 0.99( 41.02%) 0.0000 0.0046 0.6444 -0.0296 -0.0014 0.0361 0.1701 0.0101 -0.2649 -0.1001 -0.0083 0.1853 0.1694 -0.0224 0.0310 0.2532 -0.3536 -0.0420 -0.0115 -0.2175 0.0909 -0.0194 -0.4022 750. (0.00062) RY*( 5) C 42 s( 38.18%)p 0.23( 8.64%)d 1.39( 53.18%) 0.0000 -0.0004 0.6177 0.0167 0.0089 -0.0022 -0.1415 0.0090 -0.1489 -0.1244 0.0109 -0.0470 -0.1620 0.0102 0.1528 -0.1611 0.3664 0.0426 0.1941 0.2858 0.1696 -0.1001 0.4338 751. (0.00044) RY*( 6) C 42 s( 1.55%)p 3.31( 5.14%)d60.01( 93.31%) 0.0000 -0.0017 0.1247 0.0007 -0.0168 0.0422 0.1440 0.0035 0.0161 0.0125 0.0045 -0.0788 -0.1481 0.1949 -0.2560 -0.3979 0.2451 -0.3457 0.1252 -0.4709 0.0489 0.4969 -0.0703 752. (0.00031) RY*( 7) C 42 s( 0.88%)p33.84( 29.85%)d78.53( 69.27%) 0.0000 -0.0038 0.0914 0.0212 0.0102 -0.0701 0.0287 -0.0145 0.0971 0.2865 0.0015 0.0082 -0.4482 0.5569 -0.1965 0.2213 0.2073 0.3364 -0.0205 -0.0663 -0.0119 -0.2696 -0.2474 753. (0.00028) RY*( 8) C 42 s( 0.78%)p21.41( 16.70%)d99.99( 82.52%) 0.0000 -0.0022 0.0874 -0.0126 -0.0074 0.0241 0.1443 -0.0016 0.0062 0.1046 -0.0026 0.0136 -0.3666 -0.2920 0.5186 -0.0040 0.1328 0.1125 -0.5109 -0.3196 -0.2561 0.0772 0.0768 754. (0.00022) RY*( 9) C 42 s( 1.07%)p13.70( 14.70%)d78.52( 84.23%) 0.0000 0.0004 0.1034 -0.0063 -0.0047 -0.0243 -0.2984 0.0065 -0.0533 0.0258 -0.0079 0.0449 -0.2275 -0.5296 -0.5873 0.1718 0.0633 -0.0784 0.0609 -0.1871 -0.3101 -0.1917 0.0751 755. (0.00018) RY*(10) C 42 s( 2.48%)p 8.35( 20.70%)d30.98( 76.82%) 0.0000 -0.0029 0.1499 0.0480 -0.0042 0.0480 -0.3378 -0.0142 0.1625 0.1465 0.0154 -0.1596 0.1295 -0.0683 -0.0259 -0.2994 -0.3070 0.6804 0.1188 -0.1884 -0.0127 0.2558 0.0305 756. (0.00014) RY*(11) C 42 s( 1.07%)p51.85( 55.37%)d40.80( 43.57%) 0.0000 0.0006 0.0966 -0.0366 0.0026 0.0802 -0.6821 0.0068 -0.0377 0.1911 -0.0061 -0.0084 0.2095 0.3663 0.1033 0.1179 -0.0483 -0.3525 -0.3349 -0.0882 -0.1353 0.0357 0.1043 757. (0.00012) RY*(12) C 42 s( 0.19%)p87.19( 16.91%)d99.99( 82.90%) 0.0000 0.0007 0.0331 -0.0291 -0.0032 -0.0085 0.0834 0.0124 -0.0116 0.3874 -0.0001 -0.0051 -0.1079 -0.1513 -0.2192 0.3757 -0.0675 0.0136 -0.2470 0.2305 0.4758 0.4787 0.2062 758. (0.00006) RY*(13) C 42 s( 12.02%)p 3.78( 45.45%)d 3.54( 42.52%) 759. (0.00003) RY*(14) C 42 s( 2.02%)p17.99( 36.25%)d30.63( 61.73%) 760. (0.00002) RY*(15) C 42 s( 0.03%)p99.99( 12.63%)d99.99( 87.35%) 761. (0.00002) RY*(16) C 42 s( 0.70%)p46.64( 32.65%)d95.20( 66.65%) 762. (0.00001) RY*(17) C 42 s( 0.19%)p41.93( 7.83%)d99.99( 91.98%) 763. (0.00000) RY*(18) C 42 s( 90.17%)p 0.06( 5.03%)d 0.05( 4.80%) 764. (0.00645) RY*( 1) H 43 s( 99.88%)p 0.00( 0.12%) 0.0014 0.9994 -0.0001 0.0250 0.0229 -0.0070 765. (0.00022) RY*( 2) H 43 s( 20.80%)p 3.81( 79.20%) 0.0015 0.0218 0.4556 -0.7466 0.0139 0.4841 766. (0.00019) RY*( 3) H 43 s( 78.99%)p 0.27( 21.01%) -0.0014 -0.0118 0.8887 0.3623 0.0381 -0.2781 767. (0.00013) RY*( 4) H 43 s( 0.15%)p99.99( 99.85%) 0.0046 -0.0048 0.0377 0.5522 -0.1437 0.8204 768. (0.00008) RY*( 5) H 43 s( 0.19%)p99.99( 99.81%) 769. (0.00291) RY*( 1) C 44 s( 1.05%)p86.76( 90.96%)d 7.63( 7.99%) 0.0000 -0.0038 0.1023 0.0019 -0.0068 -0.1411 0.0177 0.0013 -0.1302 -0.0098 -0.0183 0.9337 -0.0075 0.0346 0.0000 -0.2541 -0.0554 0.0048 0.0057 0.0904 -0.0076 -0.0403 0.0343 770. (0.00233) RY*( 2) C 44 s( 8.24%)p10.43( 85.96%)d 0.70( 5.80%) 0.0000 0.0080 0.2869 0.0044 -0.0017 -0.3491 0.0275 -0.0135 0.8574 0.0287 0.0021 0.0262 0.0102 -0.1531 -0.1008 -0.0135 -0.0148 -0.1124 -0.0139 0.0924 0.0177 -0.0067 0.0483 771. (0.00083) RY*( 3) C 44 s( 39.60%)p 1.47( 58.08%)d 0.06( 2.32%) 0.0000 0.0115 0.6288 -0.0223 -0.0142 -0.5822 0.0063 -0.0028 -0.4302 -0.0457 0.0032 -0.2228 -0.0692 -0.0028 0.1041 -0.0086 0.0375 -0.0105 0.0279 -0.0062 0.0156 -0.0873 0.0456 772. (0.00025) RY*( 4) C 44 s( 4.62%)p 3.09( 14.25%)d17.58( 81.14%) 0.0000 -0.0022 0.2133 -0.0260 -0.0054 0.1929 -0.2534 -0.0030 0.0652 -0.1759 -0.0031 -0.0665 -0.0366 0.6879 -0.3534 -0.1560 0.1740 -0.1733 0.2407 0.2138 -0.1358 -0.0798 0.0130 773. (0.00017) RY*( 5) C 44 s( 4.50%)p10.21( 45.92%)d11.03( 49.59%) 0.0000 -0.0034 0.2028 -0.0619 -0.0125 0.2022 -0.6156 0.0097 0.0742 -0.1572 0.0037 0.0815 -0.0471 -0.0788 0.2896 0.3531 -0.2246 0.3097 -0.1586 0.1968 -0.0838 -0.2497 0.0383 774. (0.00016) RY*( 6) C 44 s( 9.98%)p 1.83( 18.25%)d 7.19( 71.77%) 0.0000 -0.0099 0.3151 0.0191 0.0136 0.3948 -0.0913 0.0075 0.0650 0.0607 -0.0062 -0.0858 0.0525 -0.2551 0.2123 -0.6049 0.4022 0.1778 -0.0517 -0.1511 0.0281 -0.0039 0.1485 775. (0.00013) RY*( 7) C 44 s( 21.58%)p 0.74( 16.06%)d 2.89( 62.36%) 0.0000 -0.0105 0.4642 0.0143 0.0143 0.3591 -0.0322 -0.0103 -0.0294 0.0721 0.0059 0.1167 0.1030 -0.0872 -0.0383 0.2438 -0.2206 -0.3249 0.1195 -0.2646 0.1073 0.4641 -0.2994 776. (0.00007) RY*( 8) C 44 s( 0.78%)p25.39( 19.80%)d99.99( 79.42%) 777. (0.00004) RY*( 9) C 44 s( 5.83%)p 4.44( 25.89%)d11.70( 68.28%) 778. (0.00004) RY*(10) C 44 s( 1.71%)p17.29( 29.61%)d40.11( 68.68%) 779. (0.00002) RY*(11) C 44 s( 3.75%)p22.04( 82.56%)d 3.66( 13.70%) 780. (0.00001) RY*(12) C 44 s( 0.47%)p11.36( 5.34%)d99.99( 94.19%) 781. (0.00000) RY*(13) C 44 s( 94.71%)p 0.05( 4.85%)d 0.00( 0.44%) 782. (0.00000) RY*(14) C 44 s( 0.01%)p63.04( 0.67%)d99.99( 99.32%) 783. (0.00001) RY*(15) C 44 s( 0.53%)p99.99( 64.10%)d66.40( 35.37%) 784. (0.00000) RY*(16) C 44 s( 0.49%)p 6.70( 3.32%)d99.99( 96.19%) 785. (0.00001) RY*(17) C 44 s( 2.05%)p15.98( 32.83%)d31.69( 65.11%) 786. (0.00000) RY*(18) C 44 s( 0.15%)p12.62( 1.85%)d99.99( 98.00%) 787. (0.00168) RY*( 1) H 45 s( 97.43%)p 0.03( 2.57%) -0.0036 0.9871 0.0014 0.1227 0.0812 0.0638 788. (0.00024) RY*( 2) H 45 s( 64.43%)p 0.55( 35.57%) 0.0002 -0.0340 0.8020 0.4691 -0.0211 -0.3676 789. (0.00014) RY*( 3) H 45 s( 34.29%)p 1.92( 65.71%) 0.0003 0.0719 0.5811 -0.7534 0.0200 0.2985 790. (0.00011) RY*( 4) H 45 s( 1.70%)p57.81( 98.30%) 0.0017 -0.0565 0.1175 0.3782 -0.4932 0.7725 791. (0.00002) RY*( 5) H 45 s( 2.17%)p44.98( 97.83%) 792. (0.00170) RY*( 1) H 46 s( 97.83%)p 0.02( 2.17%) -0.0029 0.9891 0.0028 0.1132 -0.0196 0.0920 793. (0.00023) RY*( 2) H 46 s( 50.33%)p 0.99( 49.67%) -0.0002 -0.0405 0.7083 0.6170 0.0258 -0.3397 794. (0.00013) RY*( 3) H 46 s( 29.06%)p 2.44( 70.94%) 0.0004 -0.0171 0.5388 -0.2932 0.4770 0.6292 795. (0.00009) RY*( 4) H 46 s( 21.41%)p 3.67( 78.59%) 796. (0.00003) RY*( 5) H 46 s( 1.39%)p70.85( 98.61%) 797. (0.00263) RY*( 1) H 47 s( 98.24%)p 0.02( 1.76%) 0.0021 0.9912 0.0024 -0.1274 -0.0336 0.0152 798. (0.00026) RY*( 2) H 47 s( 90.68%)p 0.10( 9.32%) -0.0001 -0.0351 0.9516 -0.2086 -0.2101 -0.0745 799. (0.00014) RY*( 3) H 47 s( 1.80%)p54.45( 98.20%) 0.0015 0.0026 0.1343 -0.2497 0.9336 -0.2193 800. (0.00010) RY*( 4) H 47 s( 6.13%)p15.32( 93.87%) 0.0051 0.0641 0.2391 0.5195 0.2845 0.7667 801. (0.00004) RY*( 5) H 47 s( 3.16%)p30.64( 96.84%) 802. (0.00286) RY*( 1) C 48 s( 0.20%)p99.99( 92.39%)d37.16( 7.41%) 0.0000 -0.0075 0.0440 0.0007 -0.0104 0.9015 0.0072 -0.0030 0.0685 0.0170 -0.0158 0.3252 0.0106 -0.0150 0.0224 -0.1613 -0.0040 -0.0046 -0.0133 0.1355 0.0554 -0.1575 -0.0299 803. (0.00220) RY*( 2) C 48 s( 0.97%)p97.18( 94.46%)d 4.70( 4.57%) 0.0000 0.0046 0.0985 0.0006 0.0006 0.0084 0.0062 -0.0090 0.9421 0.0268 0.0019 -0.2368 0.0089 0.0193 0.0367 -0.0224 0.0284 -0.1736 -0.0938 0.0026 0.0327 0.0507 0.0106 804. (0.00085) RY*( 3) C 48 s( 72.68%)p 0.35( 25.21%)d 0.03( 2.11%) 0.0000 0.0090 0.8525 -0.0045 0.0059 0.1176 0.0202 -0.0032 -0.2059 -0.0527 -0.0083 -0.4298 -0.0885 -0.0087 -0.0181 -0.0707 -0.0006 -0.0447 0.0294 0.0639 0.0201 0.0666 -0.0624 805. (0.00036) RY*( 4) C 48 s( 21.02%)p 3.21( 67.45%)d 0.55( 11.53%) 0.0000 -0.0172 0.4581 -0.0054 -0.0096 -0.3122 0.0784 0.0066 0.1678 -0.0066 0.0125 0.7242 -0.1339 0.1030 -0.0114 0.1542 -0.0827 0.1481 -0.1092 0.1244 -0.0191 -0.1510 -0.0386 806. (0.00022) RY*( 5) C 48 s( 0.18%)p37.48( 6.90%)d99.99( 92.92%) 0.0000 -0.0031 0.0326 0.0277 -0.0012 0.0665 -0.0833 0.0009 -0.0588 0.1381 0.0089 0.0723 0.1726 0.5488 -0.3967 0.2868 -0.1273 -0.4968 0.1507 -0.2271 0.1873 0.0318 -0.1223 807. (0.00018) RY*( 6) C 48 s( 0.05%)p49.59( 2.52%)d99.99( 97.43%) 0.0000 -0.0013 0.0212 -0.0076 -0.0104 -0.0902 -0.0460 0.0137 0.0354 -0.0029 0.0043 -0.1048 -0.0489 0.3121 -0.2064 -0.3155 0.2875 0.1377 0.2236 -0.0400 -0.0296 -0.6136 0.4517 808. (0.00014) RY*( 7) C 48 s( 0.94%)p29.48( 27.75%)d75.76( 71.31%) 0.0000 -0.0004 0.0466 0.0851 -0.0145 -0.0843 -0.1630 -0.0178 -0.0939 0.1977 0.0079 -0.0365 0.4404 -0.2130 0.2429 0.2029 0.0011 -0.4264 -0.1554 0.4240 -0.1427 -0.3792 0.1331 809. (0.00009) RY*( 8) C 48 s( 0.74%)p10.19( 7.52%)d99.99( 91.75%) 810. (0.00007) RY*( 9) C 48 s( 1.88%)p19.80( 37.14%)d32.52( 60.99%) 811. (0.00003) RY*(10) C 48 s( 1.35%)p17.69( 23.91%)d55.28( 74.74%) 812. (0.00003) RY*(11) C 48 s( 0.54%)p99.99( 58.85%)d74.63( 40.60%) 813. (0.00000) RY*(12) C 48 s( 0.08%)p 9.26( 0.72%)d99.99( 99.21%) 814. (0.00000) RY*(13) C 48 s( 96.32%)p 0.03( 2.87%)d 0.01( 0.80%) 815. (0.00001) RY*(14) C 48 s( 0.08%)p99.99( 38.92%)d99.99( 60.99%) 816. (0.00000) RY*(15) C 48 s( 0.03%)p42.21( 1.27%)d99.99( 98.70%) 817. (0.00000) RY*(16) C 48 s( 1.12%)p 7.13( 8.02%)d80.81( 90.86%) 818. (0.00001) RY*(17) C 48 s( 0.60%)p99.99( 87.90%)d19.11( 11.50%) 819. (0.00000) RY*(18) C 48 s( 1.25%)p13.17( 16.51%)d65.59( 82.23%) 820. (0.00168) RY*( 1) H 49 s( 98.94%)p 0.01( 1.06%) -0.0007 0.9947 -0.0044 -0.0626 0.0127 0.0807 821. (0.00022) RY*( 2) H 49 s( 68.77%)p 0.45( 31.23%) 0.0002 0.0558 0.8274 0.1157 -0.0846 -0.5402 822. (0.00015) RY*( 3) H 49 s( 0.15%)p99.99( 99.85%) -0.0007 -0.0119 0.0369 -0.1658 0.9764 -0.1332 823. (0.00010) RY*( 4) H 49 s( 16.89%)p 4.92( 83.11%) 0.0095 -0.0244 0.4101 0.5396 0.1733 0.7141 824. (0.00005) RY*( 5) H 49 s( 15.28%)p 5.55( 84.72%) 825. (0.00173) RY*( 1) H 50 s( 97.90%)p 0.02( 2.10%) -0.0028 0.9894 0.0013 -0.0371 -0.0358 0.1356 826. (0.00019) RY*( 2) H 50 s( 78.89%)p 0.27( 21.11%) 0.0002 -0.0372 0.8874 -0.4382 -0.0338 0.1341 827. (0.00013) RY*( 3) H 50 s( 19.32%)p 4.18( 80.68%) 0.0008 0.0606 0.4354 0.8092 0.3684 -0.1275 828. (0.00011) RY*( 4) H 50 s( 2.56%)p38.14( 97.44%) 0.0017 0.0907 0.1316 0.0588 -0.5763 -0.7993 829. (0.00003) RY*( 5) H 50 s( 1.36%)p72.34( 98.64%) 830. (0.00149) RY*( 1) H 51 s( 96.92%)p 0.03( 3.08%) -0.0037 0.9844 -0.0026 -0.0559 0.0621 0.1545 831. (0.00021) RY*( 2) H 51 s( 92.63%)p 0.08( 7.37%) 0.0008 0.0402 0.9616 -0.0283 0.0420 -0.2667 832. (0.00012) RY*( 3) H 51 s( 0.70%)p99.99( 99.30%) 0.0013 0.0838 0.0042 0.9723 -0.1911 -0.1056 833. (0.00012) RY*( 4) H 51 s( 7.17%)p12.95( 92.83%) 0.0012 -0.0936 0.2508 -0.0082 -0.5239 0.8085 834. (0.00002) RY*( 5) H 51 s( 2.61%)p37.34( 97.39%) 835. (0.00598) RY*( 1) C 52 s( 3.34%)p27.81( 92.98%)d 1.10( 3.68%) 0.0000 0.0008 0.1828 -0.0044 0.0004 -0.0362 0.0101 0.0310 0.9074 -0.0504 -0.0069 -0.3184 0.0061 -0.0706 0.0376 -0.0335 -0.0222 -0.0456 -0.0288 0.1369 -0.0578 0.0548 0.0275 836. (0.00264) RY*( 2) C 52 s( 1.00%)p93.65( 93.84%)d 5.15( 5.16%) 0.0000 -0.0001 0.0999 -0.0061 -0.0023 0.8512 0.1096 0.0041 -0.1452 -0.0340 0.0065 -0.4211 -0.0475 0.1044 -0.0280 -0.1661 0.0144 -0.0034 -0.0579 0.0167 -0.0212 0.0790 0.0423 837. (0.00171) RY*( 3) C 52 s( 3.72%)p22.63( 84.09%)d 3.28( 12.20%) 0.0000 -0.0220 0.1915 0.0006 0.0031 0.4119 -0.0503 0.0134 0.2329 -0.1235 -0.0055 0.7738 -0.0130 -0.0089 0.0208 0.0994 -0.0509 0.1090 0.0779 0.0598 0.0182 0.2536 -0.1510 838. (0.00066) RY*( 4) C 52 s( 6.14%)p 2.41( 14.82%)d12.87( 79.04%) 0.0000 -0.0030 0.2472 0.0171 0.0011 -0.0634 -0.0058 0.0086 -0.0921 -0.1912 -0.0123 0.1498 0.2765 -0.2517 -0.0752 -0.3060 0.3103 -0.0164 -0.6302 0.1426 -0.1114 0.0066 0.3182 839. (0.00064) RY*( 5) C 52 s( 66.26%)p 0.26( 16.98%)d 0.25( 16.76%) 0.0000 0.0052 0.8138 -0.0182 0.0039 -0.1724 -0.1995 0.0133 -0.2081 -0.0401 0.0068 -0.1981 -0.1259 -0.0306 -0.1039 0.1674 -0.0861 0.0814 0.0048 -0.0882 0.1467 0.1431 -0.2531 840. (0.00040) RY*( 6) C 52 s( 2.12%)p 3.38( 7.16%)d42.85( 90.72%) 0.0000 -0.0028 0.1452 0.0095 -0.0138 0.0892 0.2049 0.0031 -0.0328 -0.1369 0.0022 0.0392 0.0092 0.0170 -0.1792 0.5334 -0.2703 0.0616 -0.0575 0.2653 -0.3201 -0.5426 0.2073 841. (0.00031) RY*( 7) C 52 s( 1.13%)p14.00( 15.86%)d73.31( 83.01%) 0.0000 0.0001 0.1064 0.0003 0.0065 -0.0531 -0.1894 -0.0014 -0.0047 0.0933 -0.0044 0.0396 0.3309 0.2402 -0.5017 -0.2474 -0.1831 -0.1495 0.3572 -0.1005 -0.4012 0.1881 0.2640 842. (0.00027) RY*( 8) C 52 s( 0.81%)p24.60( 19.81%)d98.59( 79.39%) 0.0000 -0.0008 0.0873 -0.0208 0.0074 -0.0045 -0.0752 0.0006 0.0015 0.0781 0.0116 -0.0738 0.4250 0.4455 0.3684 0.3681 0.4062 0.2612 0.0984 0.0158 0.0275 0.1336 0.2497 843. (0.00022) RY*( 9) C 52 s( 1.36%)p14.38( 19.62%)d57.91( 79.02%) 0.0000 -0.0044 0.1148 0.0209 -0.0151 0.1441 0.1622 -0.0090 0.0846 0.0624 -0.0036 0.0336 0.3696 -0.3837 0.0302 0.1342 0.1663 -0.2469 0.1494 -0.6534 0.0425 -0.2826 -0.0665 844. (0.00016) RY*(10) C 52 s( 5.92%)p 3.12( 18.49%)d12.76( 75.59%) 0.0000 -0.0026 0.2351 0.0627 0.0043 -0.1098 0.3661 -0.0112 0.0229 -0.1372 -0.0138 0.1321 0.0408 0.5335 0.3481 -0.3933 -0.2666 -0.1386 -0.0868 -0.1659 0.0097 -0.2504 -0.0850 845. (0.00013) RY*(11) C 52 s( 1.42%)p35.65( 50.62%)d33.78( 47.96%) 0.0000 0.0033 0.0938 -0.0734 0.0033 -0.1401 0.6783 0.0090 -0.0841 -0.0621 0.0082 -0.0312 -0.1198 -0.2811 0.0763 -0.0505 -0.0067 0.3140 0.2747 -0.0283 -0.1583 0.3694 0.2363 846. (0.00011) RY*(12) C 52 s( 0.03%)p99.99( 15.20%)d99.99( 84.77%) 0.0000 0.0005 -0.0095 0.0135 -0.0050 0.0200 -0.3290 -0.0071 0.0080 -0.1754 -0.0045 -0.0364 -0.1053 -0.1142 0.2138 -0.2624 0.1149 0.5422 0.1383 -0.1672 -0.5004 -0.2841 -0.1864 847. (0.00005) RY*(13) C 52 s( 13.31%)p 2.81( 37.37%)d 3.71( 49.33%) 848. (0.00003) RY*(14) C 52 s( 11.41%)p 2.83( 32.30%)d 4.93( 56.29%) 849. (0.00002) RY*(15) C 52 s( 2.22%)p 6.45( 14.34%)d37.50( 83.43%) 850. (0.00002) RY*(16) C 52 s( 0.54%)p24.43( 13.22%)d99.99( 86.24%) 851. (0.00002) RY*(17) C 52 s( 0.30%)p99.99( 37.45%)d99.99( 62.25%) 852. (0.00000) RY*(18) C 52 s( 78.97%)p 0.20( 16.10%)d 0.06( 4.93%) 853. (0.00428) RY*( 1) H 53 s( 99.84%)p 0.00( 0.16%) -0.0020 0.9992 0.0006 -0.0001 -0.0383 -0.0095 854. (0.00032) RY*( 2) H 53 s( 84.92%)p 0.18( 15.08%) -0.0033 -0.0060 0.9215 0.2669 -0.1939 0.2050 855. (0.00022) RY*( 3) H 53 s( 5.40%)p17.52( 94.60%) -0.0007 0.0100 0.2322 -0.9013 0.1916 0.3113 856. (0.00013) RY*( 4) H 53 s( 9.70%)p 9.31( 90.30%) 0.0051 0.0074 0.3113 -0.1256 0.4096 -0.8482 857. (0.00008) RY*( 5) H 53 s( 0.16%)p99.99( 99.84%) 858. (0.00296) RY*( 1) C 54 s( 0.71%)p99.99( 91.87%)d10.47( 7.42%) 0.0000 -0.0058 0.0839 0.0037 0.0048 0.2908 -0.0158 -0.0050 0.0341 0.0165 0.0183 -0.9122 0.0016 -0.0393 0.0158 -0.2048 -0.0473 0.0873 0.0017 0.1031 0.0197 -0.0974 0.0112 859. (0.00184) RY*( 2) C 54 s( 6.36%)p13.41( 85.24%)d 1.32( 8.40%) 0.0000 0.0084 0.2519 0.0062 -0.0021 0.5995 -0.0122 -0.0131 0.6507 0.0282 -0.0041 0.2615 -0.0108 -0.0014 0.0967 0.0476 -0.0037 0.0581 0.0123 0.2422 0.0759 0.0397 0.0534 860. (0.00065) RY*( 3) C 54 s( 34.84%)p 1.75( 61.08%)d 0.12( 4.08%) 0.0000 0.0138 0.5897 -0.0218 0.0152 0.4136 -0.0333 -0.0048 -0.6339 -0.0840 -0.0010 0.1713 0.0120 -0.1372 -0.0222 -0.0011 -0.0426 0.0337 -0.0602 -0.0844 -0.0259 -0.0841 -0.0056 861. (0.00022) RY*( 4) C 54 s( 11.13%)p 3.13( 34.81%)d 4.86( 54.06%) 0.0000 -0.0084 0.3302 -0.0465 0.0010 -0.3645 0.2521 0.0062 0.2540 -0.2741 0.0034 0.0428 0.1009 -0.3167 0.1441 -0.3449 0.1935 0.2073 -0.2700 -0.0871 -0.0971 -0.3356 0.1324 862. (0.00020) RY*( 5) C 54 s( 15.57%)p 0.58( 9.07%)d 4.84( 75.36%) 0.0000 -0.0058 0.3945 -0.0031 0.0034 -0.2107 0.1398 0.0131 0.1320 0.0166 -0.0003 -0.0695 0.0633 0.5155 -0.3874 0.1977 -0.2312 -0.2058 0.1519 0.0796 -0.2219 -0.3078 0.1719 863. (0.00016) RY*( 6) C 54 s( 3.81%)p 5.86( 22.33%)d19.40( 73.86%) 0.0000 -0.0035 0.1855 -0.0605 0.0092 -0.1049 0.3532 -0.0049 0.1367 -0.2114 -0.0062 -0.1519 0.0307 -0.3878 0.1351 0.4286 -0.3153 -0.2327 0.2215 -0.2022 0.1140 0.2237 -0.2824 864. (0.00013) RY*( 7) C 54 s( 20.88%)p 0.89( 18.49%)d 2.90( 60.63%) 0.0000 -0.0095 0.4558 0.0310 -0.0227 -0.2893 -0.2006 0.0004 0.1049 0.2067 -0.0093 -0.0607 -0.0541 0.2638 0.0100 -0.1641 -0.0031 0.2967 -0.0821 -0.1343 0.1442 0.5652 -0.2380 865. (0.00009) RY*( 8) C 54 s( 0.11%)p99.99( 19.55%)d99.99( 80.34%) 866. (0.00006) RY*( 9) C 54 s( 3.18%)p11.00( 34.93%)d19.49( 61.89%) 867. (0.00003) RY*(10) C 54 s( 0.00%)p 1.00( 24.14%)d 3.14( 75.86%) 868. (0.00001) RY*(11) C 54 s( 3.60%)p14.40( 51.89%)d12.35( 44.51%) 869. (0.00001) RY*(12) C 54 s( 2.91%)p 3.50( 10.18%)d29.86( 86.91%) 870. (0.00001) RY*(13) C 54 s( 0.50%)p99.99( 93.42%)d12.06( 6.08%) 871. (0.00000) RY*(14) C 54 s( 0.01%)p 1.00( 0.58%)d99.99( 99.41%) 872. (0.00000) RY*(15) C 54 s( 96.13%)p 0.01( 1.06%)d 0.03( 2.81%) 873. (0.00001) RY*(16) C 54 s( 0.15%)p87.93( 13.26%)d99.99( 86.59%) 874. (0.00001) RY*(17) C 54 s( 0.05%)p99.99( 26.84%)d99.99( 73.10%) 875. (0.00000) RY*(18) C 54 s( 0.12%)p13.25( 1.53%)d99.99( 98.35%) 876. (0.00157) RY*( 1) H 55 s( 97.65%)p 0.02( 2.35%) -0.0038 0.9882 -0.0014 -0.0709 0.1168 -0.0693 877. (0.00024) RY*( 2) H 55 s( 63.46%)p 0.58( 36.54%) -0.0003 0.0004 0.7966 -0.3400 0.0918 0.4913 878. (0.00017) RY*( 3) H 55 s( 11.41%)p 7.77( 88.59%) 0.0004 0.0900 0.3255 0.9243 -0.1170 0.1337 879. (0.00010) RY*( 4) H 55 s( 24.85%)p 3.02( 75.15%) 0.0024 -0.0304 0.4976 -0.0890 -0.2759 -0.8169 880. (0.00002) RY*( 5) H 55 s( 2.65%)p36.70( 97.35%) 881. (0.00154) RY*( 1) H 56 s( 97.49%)p 0.03( 2.51%) -0.0025 0.9874 0.0026 -0.1066 0.0434 -0.1086 882. (0.00024) RY*( 2) H 56 s( 53.83%)p 0.86( 46.17%) 0.0010 -0.0397 0.7326 -0.5952 0.1391 0.2968 883. (0.00012) RY*( 3) H 56 s( 4.50%)p21.21( 95.50%) -0.0015 -0.0712 0.1999 0.1906 0.8158 -0.5030 884. (0.00010) RY*( 4) H 56 s( 41.98%)p 1.38( 58.02%) 885. (0.00003) RY*( 5) H 56 s( 2.21%)p44.18( 97.79%) 886. (0.00209) RY*( 1) H 57 s( 97.86%)p 0.02( 2.14%) -0.0022 0.9893 -0.0028 -0.1274 0.0667 0.0264 887. (0.00027) RY*( 2) H 57 s( 93.21%)p 0.07( 6.79%) 0.0001 0.0319 0.9649 0.1848 -0.1303 0.1297 888. (0.00015) RY*( 3) H 57 s( 0.07%)p99.99( 99.93%) -0.0008 0.0183 0.0182 -0.3771 -0.8212 -0.4275 889. (0.00011) RY*( 4) H 57 s( 6.34%)p14.78( 93.66%) 0.0030 -0.0659 0.2429 -0.3782 0.5446 -0.7050 890. (0.00004) RY*( 5) H 57 s( 2.54%)p38.31( 97.46%) 891. (0.00269) RY*( 1) C 58 s( 1.75%)p51.78( 90.44%)d 4.47( 7.82%) 0.0000 -0.0016 0.1321 0.0020 0.0050 -0.6990 -0.0016 -0.0101 0.4994 0.0043 0.0130 -0.4074 -0.0047 -0.1000 -0.0482 -0.0544 0.0119 0.0733 0.0171 0.1706 0.0294 -0.1607 -0.0353 892. (0.00203) RY*( 2) C 58 s( 8.38%)p10.00( 83.81%)d 0.93( 7.81%) 0.0000 0.0095 0.2894 0.0010 -0.0072 0.1332 0.0122 -0.0088 0.6368 0.0295 -0.0090 0.6431 0.0078 -0.0809 -0.0960 -0.0015 0.0146 0.1054 0.0455 0.0701 -0.0046 0.2002 0.0627 893. (0.00069) RY*( 3) C 58 s( 32.57%)p 1.94( 63.07%)d 0.13( 4.36%) 0.0000 0.0097 0.5695 -0.0359 -0.0113 -0.4842 -0.0693 -0.0006 -0.4913 -0.0728 0.0071 0.3722 0.0780 0.0956 0.0691 0.0222 -0.0566 0.0508 -0.1392 -0.0413 0.0220 -0.0139 -0.0409 894. (0.00023) RY*( 4) C 58 s( 13.94%)p 1.66( 23.08%)d 4.52( 62.98%) 0.0000 -0.0046 0.3728 -0.0201 -0.0065 0.2899 -0.2506 -0.0019 0.0469 -0.1689 0.0072 -0.1581 0.1678 0.3261 -0.1099 -0.1549 0.0139 -0.3051 0.0929 0.4109 -0.3302 -0.3088 0.1106 895. (0.00017) RY*( 5) C 58 s( 0.29%)p12.64( 3.66%)d99.99( 96.06%) 0.0000 -0.0034 0.0483 0.0235 0.0180 0.1729 0.0629 0.0027 -0.0188 -0.0153 -0.0001 0.0420 0.0033 -0.3838 0.1792 -0.0070 0.0443 0.4146 -0.3605 0.0313 -0.0654 -0.5915 0.3494 896. (0.00014) RY*( 6) C 58 s( 3.03%)p 9.71( 29.45%)d22.26( 67.51%) 0.0000 -0.0040 0.1647 -0.0566 -0.0076 0.1496 -0.3185 0.0110 0.0930 -0.1703 0.0110 -0.1853 0.3138 -0.0767 0.1859 -0.5440 0.2513 0.1040 -0.1775 -0.3296 0.2573 0.1863 -0.1542 897. (0.00009) RY*( 7) C 58 s( 23.51%)p 0.98( 23.15%)d 2.27( 53.34%) 898. (0.00004) RY*( 8) C 58 s( 6.08%)p 3.11( 18.93%)d12.32( 74.98%) 899. (0.00005) RY*( 9) C 58 s( 9.27%)p 2.54( 23.58%)d 7.24( 67.14%) 900. (0.00001) RY*(10) C 58 s( 0.02%)p99.99( 5.78%)d99.99( 94.20%) 901. (0.00001) RY*(11) C 58 s( 1.53%)p 5.02( 7.69%)d59.16( 90.77%) 902. (0.00000) RY*(12) C 58 s( 0.10%)p13.48( 1.34%)d99.99( 98.57%) 903. (0.00000) RY*(13) C 58 s( 97.21%)p 0.02( 1.62%)d 0.01( 1.17%) 904. (0.00001) RY*(14) C 58 s( 1.79%)p18.27( 32.63%)d36.71( 65.58%) 905. (0.00001) RY*(15) C 58 s( 0.05%)p99.99( 97.27%)d50.31( 2.68%) 906. (0.00000) RY*(16) C 58 s( 0.21%)p15.08( 3.16%)d99.99( 96.63%) 907. (0.00000) RY*(17) C 58 s( 0.03%)p99.99( 88.80%)d99.99( 11.17%) 908. (0.00000) RY*(18) C 58 s( 0.27%)p10.66( 2.86%)d99.99( 96.88%) 909. (0.00164) RY*( 1) H 59 s( 96.97%)p 0.03( 3.03%) -0.0017 0.9847 -0.0061 0.1417 0.0079 -0.1006 910. (0.00030) RY*( 2) H 59 s( 93.72%)p 0.07( 6.28%) 0.0003 0.0431 0.9671 -0.0912 -0.0211 0.2324 911. (0.00011) RY*( 3) H 59 s( 1.07%)p92.14( 98.93%) 0.0036 -0.0684 0.0777 0.3697 0.9197 -0.0819 912. (0.00011) RY*( 4) H 59 s( 4.84%)p19.64( 95.16%) 0.0037 -0.0645 0.2104 -0.2170 -0.0200 -0.9508 913. (0.00004) RY*( 5) H 59 s( 3.40%)p28.41( 96.60%) 914. (0.00171) RY*( 1) H 60 s( 97.04%)p 0.03( 2.96%) -0.0032 0.9851 0.0012 0.0706 0.0080 -0.1566 915. (0.00015) RY*( 2) H 60 s( 74.86%)p 0.34( 25.14%) 0.0003 -0.0338 0.8645 0.1252 0.4690 -0.1256 916. (0.00013) RY*( 3) H 60 s( 1.44%)p68.27( 98.56%) 0.0008 0.1153 0.0336 -0.8921 0.2749 0.3378 917. (0.00008) RY*( 4) H 60 s( 25.34%)p 2.95( 74.66%) 918. (0.00002) RY*( 5) H 60 s( 1.34%)p73.54( 98.66%) 919. (0.00191) RY*( 1) H 61 s( 96.89%)p 0.03( 3.11%) -0.0036 0.9843 0.0004 0.1226 0.0790 -0.0994 920. (0.00017) RY*( 2) H 61 s( 85.11%)p 0.17( 14.89%) 0.0014 -0.0083 0.9225 -0.1734 -0.0599 -0.3395 921. (0.00012) RY*( 3) H 61 s( 8.21%)p11.17( 91.79%) -0.0004 -0.0471 0.2827 0.8442 -0.2446 0.3813 922. (0.00010) RY*( 4) H 61 s( 7.74%)p11.93( 92.26%) 923. (0.00002) RY*( 5) H 61 s( 2.08%)p47.04( 97.92%) 924. (0.00740) RY*( 1) C 62 s( 0.47%)p99.99( 95.71%)d 8.16( 3.82%) 0.0000 0.0406 0.0547 -0.0066 -0.0381 -0.8695 0.0072 0.0202 0.4230 -0.0195 0.0172 0.1393 0.0122 0.0303 0.0905 0.0256 0.1094 -0.0942 0.0401 -0.0248 -0.0456 0.0460 -0.0348 925. (0.00293) RY*( 2) C 62 s( 7.41%)p11.65( 86.29%)d 0.85( 6.30%) 0.0000 0.0039 0.2720 -0.0084 -0.0010 -0.3054 0.0384 0.0084 -0.3920 -0.0199 0.0128 -0.7835 0.0106 0.1153 -0.0441 0.0199 -0.0073 -0.0185 -0.0866 -0.0065 0.1700 -0.0082 -0.1023 926. (0.00258) RY*( 3) C 62 s( 7.04%)p12.53( 88.28%)d 0.66( 4.68%) 0.0000 0.0098 0.2652 -0.0048 -0.0193 0.3286 0.0252 -0.0177 0.7830 -0.0343 0.0136 -0.3984 0.0172 0.1175 -0.1523 0.0220 -0.0295 -0.0075 0.0106 0.0238 -0.0164 0.0744 -0.0434 927. (0.00094) RY*( 4) C 62 s( 43.78%)p 0.34( 15.06%)d 0.94( 41.16%) 0.0000 -0.0039 0.6611 -0.0256 -0.0266 0.0060 -0.0432 0.0212 -0.1149 0.0027 -0.0076 0.3648 0.0358 0.2455 -0.2365 0.4361 -0.0878 0.1613 -0.0599 -0.1751 0.0396 -0.1844 -0.0407 928. (0.00063) RY*( 5) C 62 s( 32.77%)p 0.09( 3.02%)d 1.96( 64.21%) 0.0000 -0.0188 0.5720 -0.0136 -0.0059 0.0672 0.1298 0.0055 -0.0471 -0.0542 -0.0069 0.0585 -0.0118 -0.5774 0.2693 -0.2504 0.1352 -0.2739 0.0413 0.2120 -0.1435 -0.0992 0.0561 929. (0.00052) RY*( 6) C 62 s( 0.72%)p 0.77( 0.55%)d99.99( 98.73%) 0.0000 -0.0025 0.0842 -0.0102 -0.0028 -0.0258 0.0181 -0.0032 -0.0401 0.0463 0.0070 0.0121 0.0238 -0.1642 -0.1195 0.2139 0.2814 0.3436 0.1945 0.2999 0.2699 0.5795 0.4081 930. (0.00038) RY*( 7) C 62 s( 1.68%)p 6.32( 10.64%)d52.10( 87.67%) 0.0000 -0.0070 0.1217 -0.0444 0.0063 -0.0376 0.1796 0.0164 0.0070 0.2464 0.0120 -0.0219 0.1053 -0.1578 0.0558 -0.3904 -0.1174 0.5082 0.0363 -0.5991 -0.1558 0.1989 -0.0151 931. (0.00027) RY*( 8) C 62 s( 2.06%)p 4.85( 9.98%)d42.70( 87.96%) 0.0000 -0.0288 0.1100 -0.0876 -0.0065 -0.0403 -0.2908 -0.0042 0.0241 -0.0210 -0.0002 0.0055 -0.1120 0.3216 0.2291 -0.3625 0.0385 0.5236 -0.0333 0.4512 -0.1127 -0.2990 0.0989 932. (0.00023) RY*( 9) C 62 s( 3.21%)p 5.55( 17.81%)d24.62( 78.99%) 0.0000 0.0118 0.1759 0.0315 -0.0030 0.0177 0.1569 0.0061 -0.1438 -0.2406 -0.0016 0.1676 -0.2155 0.4627 -0.1784 -0.4351 -0.0834 -0.2793 0.2152 0.0526 -0.1117 0.4504 -0.0726 933. (0.00011) RY*(10) C 62 s( 0.06%)p99.99( 62.24%)d99.99( 37.70%) 0.0000 -0.0023 0.0160 0.0183 -0.0049 0.0232 0.4515 -0.0078 0.0328 0.5180 -0.0086 0.1411 0.3585 0.2077 -0.0324 -0.2097 0.1142 -0.0917 -0.1883 0.2487 0.3791 -0.0907 -0.1346 934. (0.00009) RY*(11) C 62 s( 0.93%)p10.28( 9.55%)d96.38( 89.52%) 935. (0.00005) RY*(12) C 62 s( 0.02%)p99.99( 42.20%)d99.99( 57.78%) 936. (0.00006) RY*(13) C 62 s( 0.68%)p 8.33( 5.65%)d99.99( 93.68%) 937. (0.00004) RY*(14) C 62 s( 1.02%)p49.90( 50.71%)d47.51( 48.27%) 938. (0.00004) RY*(15) C 62 s( 0.29%)p25.49( 7.27%)d99.99( 92.44%) 939. (0.00002) RY*(16) C 62 s( 4.57%)p 0.56( 2.58%)d20.30( 92.84%) 940. (0.00001) RY*(17) C 62 s( 93.28%)p 0.01( 0.49%)d 0.07( 6.23%) 941. (0.00001) RY*(18) C 62 s( 0.24%)p99.99( 92.04%)d32.03( 7.72%) 942. (0.00723) RY*( 1) C 63 s( 1.59%)p57.44( 91.26%)d 4.50( 7.15%) 0.0000 -0.0084 0.1254 0.0098 0.0204 0.8741 -0.0227 0.0201 0.2738 0.0071 0.0060 0.2687 0.0035 0.0579 0.1782 0.0252 0.0867 0.0609 -0.1128 0.0427 0.0809 -0.0580 0.0031 943. (0.00436) RY*( 2) C 63 s( 0.52%)p99.99( 94.68%)d 9.27( 4.80%) 0.0000 -0.0035 0.0718 0.0025 -0.0098 0.3572 0.0308 -0.0016 -0.8504 -0.0114 0.0051 -0.3071 -0.0249 0.0829 0.0549 0.0474 0.0292 -0.0244 0.0777 -0.0567 -0.1504 -0.0267 0.0426 944. (0.00369) RY*( 3) C 63 s( 2.85%)p32.62( 93.07%)d 1.43( 4.08%) 0.0000 0.0053 0.1685 0.0108 -0.0051 0.1163 0.0209 -0.0044 0.3940 -0.0046 0.0140 -0.8722 0.0227 0.0055 -0.0448 0.1002 0.1522 0.0036 0.0447 0.0365 -0.0182 -0.0114 0.0413 945. (0.00196) RY*( 4) C 63 s( 88.64%)p 0.07( 6.19%)d 0.06( 5.18%) 0.0000 -0.0076 0.9414 -0.0096 -0.0137 -0.1762 0.0586 -0.0088 -0.0342 0.0691 -0.0163 0.1391 0.0394 0.1115 -0.0255 0.0337 -0.0850 0.1314 -0.0618 0.0397 -0.0590 -0.0311 0.0566 946. (0.00066) RY*( 5) C 63 s( 1.20%)p 6.91( 8.29%)d75.39( 90.51%) 0.0000 -0.0010 0.1084 -0.0158 -0.0051 -0.0469 0.0388 -0.0030 -0.1083 -0.2009 0.0046 -0.1035 -0.1279 -0.4349 0.1591 -0.2153 0.1368 0.1554 -0.3678 -0.3929 0.4610 -0.1323 -0.2858 947. (0.00053) RY*( 6) C 63 s( 0.00%)p 1.00( 6.09%)d15.41( 93.90%) 0.0000 -0.0022 0.0049 -0.0006 0.0026 -0.0297 -0.1161 -0.0080 0.0615 0.1663 0.0065 0.0625 0.1055 -0.1156 -0.0370 0.2193 0.1104 -0.2871 -0.0503 -0.2665 -0.3936 -0.7150 -0.2048 948. (0.00044) RY*( 7) C 63 s( 0.11%)p99.99( 16.41%)d99.99( 83.48%) 0.0000 0.0048 0.0144 0.0293 0.0000 0.1084 0.3568 0.0015 -0.0024 -0.0940 0.0073 0.0051 -0.1272 0.3500 -0.5958 0.0847 -0.1913 -0.3388 -0.0522 -0.1044 0.3441 -0.0718 -0.2481 949. (0.00026) RY*( 8) C 63 s( 0.09%)p99.99( 12.51%)d99.99( 87.40%) 0.0000 0.0023 -0.0003 0.0302 0.0072 -0.0651 -0.2044 -0.0088 0.0105 0.2585 0.0024 0.0129 0.1089 0.5286 0.0114 -0.4689 0.4548 -0.0217 0.1066 -0.3602 0.1367 -0.0099 0.0862 950. (0.00021) RY*( 9) C 63 s( 0.80%)p10.35( 8.30%)d99.99( 90.89%) 0.0000 0.0195 0.0674 0.0557 0.0138 -0.0589 -0.2256 -0.0022 -0.0010 0.1016 -0.0066 0.0152 0.1338 0.0960 0.3488 0.5575 -0.0155 -0.3264 0.0566 -0.2948 0.1938 0.4182 -0.2404 951. (0.00012) RY*(10) C 63 s( 2.63%)p 2.20( 5.80%)d34.77( 91.56%) 0.0000 0.0154 0.1595 0.0258 -0.0065 0.1101 0.0235 -0.0042 0.1044 -0.1834 0.0046 -0.0102 -0.0251 -0.2677 0.1094 -0.4748 -0.3111 -0.5079 0.3812 -0.2394 -0.1635 0.1372 0.0607 952. (0.00011) RY*(11) C 63 s( 2.38%)p 1.40( 3.32%)d39.70( 94.30%) 0.0000 0.0041 0.0096 0.1538 -0.0031 -0.1312 0.0633 0.0088 -0.0551 -0.0509 0.0114 -0.0741 -0.0259 0.2237 0.4943 -0.1596 -0.0158 -0.3969 -0.1615 0.5425 0.2390 -0.2889 -0.0666 953. (0.00007) RY*(12) C 63 s( 0.69%)p51.11( 35.04%)d93.74( 64.27%) 954. (0.00005) RY*(13) C 63 s( 6.59%)p 4.90( 32.29%)d 9.27( 61.12%) 955. (0.00005) RY*(14) C 63 s( 0.09%)p25.78( 2.25%)d99.99( 97.67%) 956. (0.00003) RY*(15) C 63 s( 0.60%)p99.99( 84.20%)d25.22( 15.20%) 957. (0.00001) RY*(16) C 63 s( 90.76%)p 0.02( 1.97%)d 0.08( 7.27%) 958. (0.00001) RY*(17) C 63 s( 0.27%)p 0.60( 0.16%)d99.99( 99.57%) 959. (0.00001) RY*(18) C 63 s( 0.25%)p99.99( 98.29%)d 5.81( 1.46%) 960. (0.00546) RY*( 1) C 64 s( 0.49%)p99.99( 93.23%)d12.78( 6.28%) 0.0000 -0.0211 0.0653 -0.0141 -0.0096 -0.1227 0.0083 -0.0252 -0.7854 0.0059 -0.0161 -0.5471 0.0037 0.0101 -0.0070 0.0040 -0.0281 -0.0514 -0.0965 -0.0201 0.2089 0.0251 -0.0720 961. (0.00187) RY*( 2) C 64 s( 5.98%)p14.37( 85.89%)d 1.36( 8.13%) 0.0000 0.0157 0.2440 0.0044 0.0210 -0.9100 -0.1040 -0.0063 0.0134 -0.0263 -0.0061 0.1359 -0.0110 0.0885 0.0623 -0.0165 0.0530 0.0139 0.0018 0.1786 -0.1349 -0.1084 0.0669 962. (0.00110) RY*( 3) C 64 s( 0.02%)p99.99( 87.38%)d99.99( 12.60%) 0.0000 -0.0006 0.0120 0.0051 -0.0033 0.1071 -0.0406 0.0008 -0.5373 0.0822 -0.0015 0.7498 -0.0552 0.0561 -0.0090 0.0342 -0.0357 0.1070 -0.0406 0.1325 -0.0493 0.2819 -0.0881 963. (0.00078) RY*( 4) C 64 s( 75.15%)p 0.10( 7.58%)d 0.23( 17.27%) 0.0000 -0.0120 0.8656 -0.0449 -0.0126 0.1559 0.2029 -0.0159 0.0840 0.0357 -0.0121 0.0331 0.0196 -0.0657 0.0058 -0.0306 0.0482 0.2631 -0.1989 -0.1662 0.1683 -0.0042 -0.0171 964. (0.00046) RY*( 5) C 64 s( 0.04%)p18.26( 0.70%)d99.99( 99.27%) 0.0000 -0.0004 0.0194 -0.0019 -0.0012 -0.0086 -0.0642 0.0025 -0.0144 0.0207 -0.0063 -0.0137 -0.0436 -0.4845 -0.2400 0.7546 0.3125 0.0439 0.0373 0.1587 -0.0089 -0.0671 -0.0128 965. (0.00043) RY*( 6) C 64 s( 3.86%)p 3.73( 14.39%)d21.20( 81.76%) 0.0000 -0.0154 0.1957 0.0017 -0.0115 0.2767 0.1917 -0.0131 -0.1271 -0.0489 -0.0083 -0.0992 -0.0429 0.1069 0.0080 -0.1136 0.0541 -0.0889 0.1369 0.6564 -0.4348 -0.3339 0.1794 966. (0.00026) RY*( 7) C 64 s( 5.94%)p 4.65( 27.61%)d11.19( 66.45%) 0.0000 0.0021 0.2420 -0.0288 -0.0105 0.1002 -0.4963 -0.0050 0.0318 0.0864 -0.0004 -0.0190 0.1039 0.4250 -0.4360 0.2661 -0.3906 -0.2281 0.0988 -0.0450 -0.0159 -0.0568 0.0556 967. (0.00016) RY*( 8) C 64 s( 2.87%)p 9.09( 26.08%)d24.75( 71.05%) 0.0000 0.0253 0.1630 0.0387 -0.0003 -0.0860 0.4985 0.0017 -0.0268 0.0609 0.0012 0.0151 0.0161 0.0032 -0.0125 0.1307 -0.0209 -0.5435 0.4447 -0.2519 -0.1902 0.3132 -0.0435 968. (0.00013) RY*( 9) C 64 s( 7.89%)p 1.81( 14.27%)d 9.87( 77.84%) 0.0000 -0.0079 0.0101 0.2806 -0.0206 0.0982 -0.1434 0.0024 -0.0764 0.2542 0.0058 -0.0224 0.2026 0.3865 0.5213 0.2896 0.3740 0.0615 0.0069 -0.2521 -0.1793 -0.1246 0.1359 969. (0.00007) RY*(10) C 64 s( 0.97%)p14.68( 14.27%)d87.16( 84.76%) 970. (0.00003) RY*(11) C 64 s( 1.82%)p 5.69( 10.38%)d48.18( 87.80%) 971. (0.00003) RY*(12) C 64 s( 8.05%)p 8.39( 67.57%)d 3.03( 24.38%) 972. (0.00004) RY*(13) C 64 s( 0.26%)p28.10( 7.19%)d99.99( 92.55%) 973. (0.00000) RY*(14) C 64 s( 1.78%)p 8.83( 15.72%)d46.36( 82.50%) 974. (0.00000) RY*(15) C 64 s( 0.12%)p99.99( 90.77%)d75.13( 9.11%) 975. (0.00001) RY*(16) C 64 s( 1.93%)p11.90( 23.03%)d38.78( 75.03%) 976. (0.00001) RY*(17) C 64 s( 82.96%)p 0.16( 13.59%)d 0.04( 3.45%) 977. (0.00000) RY*(18) C 64 s( 0.01%)p 1.00( 0.45%)d99.99( 99.54%) 978. (0.00304) RY*( 1) H 65 s( 99.27%)p 0.01( 0.73%) -0.0029 0.9963 -0.0005 0.0505 0.0592 0.0352 979. (0.00026) RY*( 2) H 65 s( 84.58%)p 0.18( 15.42%) 0.0033 0.0159 0.9195 0.1365 -0.3680 -0.0136 980. (0.00027) RY*( 3) H 65 s( 3.39%)p28.47( 96.61%) 0.0008 0.0007 0.1842 0.0037 0.4931 -0.8502 981. (0.00006) RY*( 4) H 65 s( 4.66%)p20.46( 95.34%) 982. (0.00004) RY*( 5) H 65 s( 8.12%)p11.31( 91.88%) 983. (0.00544) RY*( 1) C 66 s( 0.56%)p99.99( 89.37%)d17.87( 10.07%) 0.0000 -0.0265 0.0592 -0.0378 0.0316 -0.8154 -0.0141 -0.0150 0.3606 0.0055 -0.0128 0.3117 0.0065 -0.0371 0.2029 -0.0126 0.1468 -0.1095 0.1068 -0.0175 -0.0997 0.0531 -0.0032 984. (0.00190) RY*( 2) C 66 s( 0.00%)p 1.00( 99.83%)d 0.00( 0.17%) 0.0000 0.0001 0.0051 -0.0018 -0.0206 -0.4926 0.1013 -0.0286 -0.6989 0.1380 -0.0184 -0.4774 0.0917 0.0053 0.0056 0.0094 0.0106 -0.0067 -0.0096 0.0241 0.0271 -0.0005 0.0020 985. (0.00105) RY*( 3) C 66 s( 0.13%)p99.99( 85.29%)d99.99( 14.58%) 0.0000 0.0005 0.0362 0.0006 -0.0004 0.0547 0.0078 0.0002 -0.5388 -0.0781 -0.0007 0.7352 0.1131 -0.2138 0.0778 0.2445 -0.0677 -0.0356 0.0216 -0.0406 0.0240 -0.1424 0.0738 986. (0.00078) RY*( 4) C 66 s( 57.01%)p 0.07( 3.74%)d 0.69( 39.25%) 0.0000 -0.0016 0.7550 -0.0049 0.0074 0.1564 -0.0427 -0.0024 -0.0432 0.0208 -0.0048 -0.0915 0.0191 -0.3259 0.2626 -0.3055 0.1951 -0.1096 0.0545 0.1866 -0.1730 -0.0762 0.0209 987. (0.00045) RY*( 5) C 66 s( 0.04%)p 7.43( 0.32%)d99.99( 99.64%) 0.0000 0.0000 0.0207 -0.0005 0.0001 0.0141 -0.0151 -0.0045 0.0325 0.0010 0.0073 -0.0347 -0.0204 -0.2609 -0.1049 0.3626 0.2175 0.2440 0.1554 0.4261 0.1878 0.5814 0.3163 988. (0.00023) RY*( 6) C 66 s( 17.91%)p 0.25( 4.56%)d 4.33( 77.53%) 0.0000 -0.0207 0.4001 -0.1365 0.0238 -0.0726 0.1616 -0.0109 0.0285 -0.0675 -0.0095 0.0373 -0.0816 0.4478 -0.0144 0.2718 0.0456 0.6153 -0.2137 -0.0469 -0.0898 -0.2119 0.1387 989. (0.00018) RY*( 7) C 66 s( 0.01%)p 1.00( 12.08%)d 7.28( 87.91%) 0.0000 0.0001 0.0080 0.0008 0.0011 -0.0230 -0.1843 0.0012 -0.0337 -0.2342 0.0008 -0.0214 -0.1728 -0.0588 0.3806 -0.0286 0.2068 0.0751 -0.3999 -0.1050 0.6582 0.0605 -0.2714 990. (0.00008) RY*( 8) C 66 s( 22.12%)p 0.03( 0.62%)d 3.49( 77.26%) 991. (0.00005) RY*( 9) C 66 s( 0.11%)p99.99( 52.83%)d99.99( 47.06%) 992. (0.00003) RY*(10) C 66 s( 2.14%)p 8.64( 18.46%)d37.19( 79.41%) 993. (0.00003) RY*(11) C 66 s( 0.03%)p99.99( 35.97%)d99.99( 64.00%) 994. (0.00001) RY*(12) C 66 s( 1.17%)p 3.65( 4.26%)d81.01( 94.57%) 995. (0.00002) RY*(13) C 66 s( 8.48%)p 8.88( 75.31%)d 1.91( 16.21%) 996. (0.00002) RY*(14) C 66 s( 6.18%)p 0.93( 5.73%)d14.26( 88.09%) 997. (0.00001) RY*(15) C 66 s( 0.00%)p 1.00( 90.60%)d 0.10( 9.40%) 998. (0.00000) RY*(16) C 66 s( 82.16%)p 0.15( 12.14%)d 0.07( 5.70%) 999. (0.00000) RY*(17) C 66 s( 0.40%)p 6.59( 2.66%)d99.99( 96.93%) 1000. (0.00000) RY*(18) C 66 s( 1.68%)p 3.78( 6.34%)d54.75( 91.98%) 1001. (0.00191) RY*( 1) H 67 s( 99.03%)p 0.01( 0.97%) 0.0017 0.9952 0.0025 0.0844 -0.0377 -0.0332 1002. (0.00023) RY*( 2) H 67 s( 8.36%)p10.97( 91.64%) 0.0008 -0.0078 0.2890 0.1201 -0.5797 0.7523 1003. (0.00021) RY*( 3) H 67 s( 84.80%)p 0.18( 15.20%) 0.0028 -0.0271 0.9204 0.1986 0.0763 -0.3268 1004. (0.00006) RY*( 4) H 67 s( 0.00%)p 1.00(100.00%) 1005. (0.00004) RY*( 5) H 67 s( 7.83%)p11.77( 92.17%) 1006. (0.00544) RY*( 1) C 68 s( 0.53%)p99.99( 92.97%)d12.20( 6.50%) 0.0000 -0.0216 0.0682 -0.0142 0.0210 0.7866 0.0001 0.0181 0.4684 -0.0083 0.0142 0.3007 -0.0113 -0.0045 -0.1727 0.0128 -0.1279 -0.0437 0.0752 -0.0167 -0.0948 0.0279 0.0313 1007. (0.00185) RY*( 2) C 68 s( 5.26%)p16.33( 85.88%)d 1.69( 8.86%) 0.0000 0.0157 0.2288 -0.0013 0.0176 -0.4864 -0.0083 -0.0096 0.4906 0.0961 -0.0118 0.6080 0.0447 -0.0561 0.1191 -0.1280 0.1047 0.1848 -0.0572 -0.0698 -0.0106 0.0137 0.0367 1008. (0.00103) RY*( 3) C 68 s( 4.28%)p18.55( 79.46%)d 3.79( 16.25%) 0.0000 -0.0086 0.2066 -0.0100 0.0009 0.1406 0.0161 0.0109 -0.6591 -0.0276 0.0019 0.5718 -0.1115 0.2564 -0.0965 -0.2646 0.0394 -0.0404 0.0280 0.0067 0.0190 -0.0681 0.0918 1009. (0.00075) RY*( 4) C 68 s( 68.60%)p 0.17( 11.75%)d 0.29( 19.64%) 0.0000 -0.0120 0.8272 -0.0411 0.0108 -0.0358 0.0672 0.0156 0.0316 -0.1552 0.0092 -0.2735 -0.1070 0.0646 -0.0987 0.1439 -0.0877 0.1166 -0.0362 0.2821 -0.1938 -0.1187 0.0893 1010. (0.00046) RY*( 5) C 68 s( 2.43%)p 5.19( 12.60%)d34.95( 84.97%) 0.0000 -0.0166 0.1544 0.0139 0.0070 0.2796 0.1191 0.0134 -0.1203 -0.0503 0.0104 -0.1154 -0.0553 -0.4751 0.3070 -0.2848 0.2429 0.4633 -0.2590 -0.2637 0.1703 -0.0585 -0.0769 1011. (0.00045) RY*( 6) C 68 s( 0.19%)p 8.68( 1.64%)d99.99( 98.17%) 0.0000 0.0016 0.0421 -0.0106 0.0009 -0.0363 -0.0109 -0.0059 -0.0446 0.0404 0.0070 0.1039 -0.0210 -0.2066 -0.1441 0.3196 0.1281 -0.2722 -0.0734 -0.3606 -0.1828 -0.6936 -0.2752 1012. (0.00028) RY*( 7) C 68 s( 7.35%)p 3.84( 28.22%)d 8.77( 64.43%) 0.0000 0.0016 0.2693 -0.0308 -0.0012 0.0198 -0.3388 0.0097 -0.0432 0.3003 0.0061 -0.0715 0.2641 0.2186 -0.2405 0.1689 -0.1760 0.0835 -0.2169 -0.4209 0.4320 0.2039 -0.1409 1013. (0.00016) RY*( 8) C 68 s( 5.30%)p 4.83( 25.59%)d13.04( 69.11%) 0.0000 0.0252 0.2276 0.0232 0.0012 -0.0280 0.2317 0.0002 0.0560 -0.3739 0.0010 0.0363 -0.2391 -0.0525 0.2243 0.0764 0.0765 -0.5278 0.1427 -0.2499 0.3058 0.3476 -0.2248 1014. (0.00013) RY*( 9) C 68 s( 6.87%)p 1.79( 12.31%)d11.76( 80.81%) 0.0000 -0.0051 0.0250 0.2609 -0.0148 0.1058 -0.3226 0.0129 -0.0460 -0.0698 0.0111 -0.0032 -0.0183 0.3233 0.4237 0.3269 0.3253 0.1528 0.1113 -0.2755 -0.4040 0.1568 0.1098 1015. (0.00007) RY*(10) C 68 s( 0.40%)p34.49( 13.68%)d99.99( 85.93%) 1016. (0.00003) RY*(11) C 68 s( 3.68%)p20.47( 75.36%)d 5.69( 20.96%) 1017. (0.00003) RY*(12) C 68 s( 1.34%)p 4.00( 5.36%)d69.49( 93.29%) 1018. (0.00003) RY*(13) C 68 s( 1.66%)p 4.31( 7.15%)d54.95( 91.19%) 1019. (0.00000) RY*(14) C 68 s( 0.16%)p 4.85( 0.78%)d99.99( 99.06%) 1020. (0.00001) RY*(15) C 68 s( 4.85%)p 7.12( 34.52%)d12.50( 60.62%) 1021. (0.00000) RY*(16) C 68 s( 2.27%)p42.76( 97.13%)d 0.26( 0.60%) 1022. (0.00000) RY*(17) C 68 s( 0.27%)p14.37( 3.91%)d99.99( 95.82%) 1023. (0.00001) RY*(18) C 68 s( 84.69%)p 0.14( 11.77%)d 0.04( 3.54%) 1024. (0.00301) RY*( 1) H 69 s( 99.32%)p 0.01( 0.68%) -0.0028 0.9966 -0.0004 -0.0291 -0.0603 -0.0484 1025. (0.00029) RY*( 2) H 69 s( 32.47%)p 2.08( 67.53%) 0.0020 0.0119 0.5697 0.2483 -0.4450 0.6447 1026. (0.00026) RY*( 3) H 69 s( 54.33%)p 0.84( 45.67%) 0.0029 0.0089 0.7370 0.2638 0.3977 -0.4785 1027. (0.00006) RY*( 4) H 69 s( 4.36%)p21.95( 95.64%) 1028. (0.00004) RY*( 5) H 69 s( 9.55%)p 9.47( 90.45%) 1029. (0.00777) RY*( 1) C 70 s( 0.34%)p99.99( 93.02%)d19.47( 6.64%) 0.0000 -0.0062 0.0573 0.0094 -0.0093 0.0930 -0.0147 -0.0207 -0.8258 0.0174 -0.0211 -0.4880 0.0072 -0.0013 0.0181 0.0089 0.0055 0.1042 0.0567 -0.0241 -0.1982 -0.0203 0.1078 1030. (0.00464) RY*( 2) C 70 s( 1.62%)p57.96( 94.05%)d 2.67( 4.33%) 0.0000 -0.0001 0.1273 0.0057 -0.0073 0.8688 0.0332 0.0093 -0.1380 -0.0046 0.0064 0.4061 -0.0196 0.0453 0.1396 0.0423 0.1014 0.0137 -0.0024 -0.0382 0.0504 0.0696 0.0263 1031. (0.00382) RY*( 3) C 70 s( 0.02%)p99.99( 95.52%)d99.99( 4.46%) 0.0000 -0.0048 0.0110 -0.0075 0.0044 -0.4099 -0.0192 0.0024 -0.4870 0.0242 -0.0001 0.7409 -0.0007 0.0122 -0.0571 -0.0520 -0.0954 0.0009 0.0288 0.0914 0.0612 0.0601 0.1134 1032. (0.00176) RY*( 4) C 70 s( 90.51%)p 0.04( 3.39%)d 0.07( 6.10%) 0.0000 -0.0073 0.9513 -0.0065 0.0097 -0.1014 -0.0190 0.0166 0.0781 -0.1035 0.0049 -0.0292 -0.0724 0.1180 -0.0895 0.0206 -0.0730 0.1445 -0.0972 -0.0211 0.0196 -0.0386 0.0256 1033. (0.00065) RY*( 5) C 70 s( 0.20%)p51.49( 10.51%)d99.99( 89.28%) 0.0000 0.0006 0.0450 -0.0035 -0.0031 0.1247 0.2596 0.0027 0.0957 0.0824 0.0018 0.0432 0.0661 0.0110 -0.3932 0.0783 -0.1685 -0.2300 0.2656 0.5344 -0.4847 -0.1848 0.1598 1034. (0.00049) RY*( 6) C 70 s( 0.04%)p27.21( 1.15%)d99.99( 98.80%) 0.0000 -0.0018 0.0204 -0.0021 0.0013 -0.0347 -0.0785 0.0048 -0.0180 -0.0362 -0.0063 0.0216 -0.0447 -0.4987 -0.2710 0.7131 0.3522 0.0993 -0.0011 0.0212 0.1185 0.0554 0.0776 1035. (0.00039) RY*( 7) C 70 s( 0.67%)p34.48( 23.12%)d99.99( 76.21%) 0.0000 -0.0083 0.0693 -0.0428 0.0080 -0.0875 -0.4216 0.0033 0.0828 0.1478 0.0021 0.0525 0.1195 -0.0300 0.5434 -0.0277 0.3974 0.1012 -0.0169 0.3636 -0.2670 -0.2529 0.1708 1036. (0.00027) RY*( 8) C 70 s( 0.13%)p32.27( 4.17%)d99.99( 95.70%) 0.0000 0.0064 0.0226 0.0272 0.0039 -0.0273 -0.1777 -0.0102 0.0178 0.0523 0.0065 -0.0175 -0.0763 0.1273 -0.0171 0.0310 0.0720 0.0888 0.0276 0.2505 -0.2837 0.7996 -0.3784 1037. (0.00025) RY*( 9) C 70 s( 0.55%)p26.61( 14.68%)d99.99( 84.77%) 0.0000 0.0191 0.0660 0.0283 0.0135 -0.0448 -0.3629 -0.0039 0.0080 0.0227 -0.0080 0.0171 0.1095 0.3418 0.0399 0.3210 -0.0173 -0.5392 0.3878 -0.4061 -0.1098 0.0329 0.0818 1038. (0.00012) RY*(10) C 70 s( 1.80%)p 5.82( 10.48%)d48.68( 87.72%) 0.0000 0.0085 0.1261 -0.0453 0.0054 -0.0364 0.2181 0.0066 -0.1551 0.0539 0.0046 -0.1337 0.1050 0.0654 0.1467 0.0319 0.2139 -0.5685 -0.1032 0.4127 0.4945 0.0261 -0.2349 1039. (0.00009) RY*(11) C 70 s( 5.75%)p 0.30( 1.73%)d16.10( 92.52%) 1040. (0.00008) RY*(12) C 70 s( 0.98%)p13.09( 12.81%)d88.11( 86.21%) 1041. (0.00004) RY*(13) C 70 s( 0.39%)p28.36( 11.08%)d99.99( 88.53%) 1042. (0.00005) RY*(14) C 70 s( 2.37%)p17.96( 42.48%)d23.31( 55.15%) 1043. (0.00003) RY*(15) C 70 s( 0.58%)p99.99( 86.23%)d22.64( 13.19%) 1044. (0.00001) RY*(16) C 70 s( 94.06%)p 0.01( 0.78%)d 0.05( 5.16%) 1045. (0.00001) RY*(17) C 70 s( 0.02%)p 8.19( 0.19%)d99.99( 99.79%) 1046. (0.00001) RY*(18) C 70 s( 0.02%)p99.99( 94.76%)d99.99( 5.22%) 1047. (0.00579) RY*( 1) C 71 s( 3.02%)p30.98( 93.64%)d 1.11( 3.34%) 0.0000 0.0023 0.1738 -0.0042 -0.0191 -0.4243 0.0169 0.0184 0.7096 -0.0183 0.0157 0.4995 -0.0420 0.0490 -0.0162 0.0970 -0.0198 -0.0506 0.0704 -0.1119 0.0139 0.0263 -0.0036 1048. (0.00214) RY*( 2) C 71 s( 0.07%)p99.99( 93.71%)d83.63( 6.21%) 0.0000 0.0065 0.0264 0.0020 0.0016 -0.0944 -0.0105 -0.0053 0.5227 0.1047 0.0043 -0.8000 -0.0619 -0.0195 -0.0187 -0.1174 -0.0209 0.0166 -0.0918 -0.0599 0.0408 -0.1803 0.0272 1049. (0.00174) RY*( 3) C 71 s( 1.69%)p49.00( 82.84%)d 9.15( 15.47%) 0.0000 -0.0161 0.1285 0.0116 -0.0081 -0.7946 0.0757 0.0080 -0.4078 -0.0615 0.0034 -0.1434 -0.0216 0.2388 -0.1003 0.1147 -0.0140 0.0266 -0.1486 0.1069 0.1032 -0.1703 -0.0209 1050. (0.00077) RY*( 4) C 71 s( 84.93%)p 0.07( 6.17%)d 0.10( 8.90%) 0.0000 -0.0007 0.9214 -0.0161 -0.0102 0.1989 0.0922 0.0074 -0.0579 -0.0592 0.0072 -0.0703 -0.0398 -0.0993 -0.0980 0.1427 0.0682 0.0900 0.0729 0.1027 -0.1404 -0.0277 -0.0089 1051. (0.00059) RY*( 5) C 71 s( 0.32%)p68.07( 21.92%)d99.99( 77.76%) 0.0000 0.0029 0.0477 -0.0306 -0.0054 0.1917 0.0653 -0.0046 0.0946 0.0869 -0.0147 0.1929 0.3524 0.0974 -0.3283 -0.2014 0.0927 0.2664 -0.5090 0.1180 0.4152 -0.2848 -0.1173 1052. (0.00041) RY*( 6) C 71 s( 0.65%)p 8.34( 5.43%)d99.99( 93.92%) 0.0000 -0.0002 0.0807 0.0003 -0.0045 0.0529 0.1080 0.0127 -0.0744 -0.1475 -0.0089 0.0398 0.1035 0.2807 -0.1136 -0.4310 0.2960 -0.4537 0.3074 -0.3477 -0.0097 -0.3808 0.0886 1053. (0.00029) RY*( 7) C 71 s( 0.69%)p29.90( 20.72%)d99.99( 78.59%) 0.0000 -0.0047 0.0688 0.0466 0.0226 -0.2054 -0.1247 0.0003 -0.0165 -0.3727 0.0022 -0.0571 0.0806 -0.3686 -0.1427 -0.5271 0.1062 0.1522 0.1575 0.0814 0.2595 0.4544 0.1101 1054. (0.00026) RY*( 8) C 71 s( 0.04%)p99.99( 23.76%)d99.99( 76.20%) 0.0000 -0.0009 0.0175 -0.0100 -0.0013 0.0131 -0.0446 0.0018 0.0112 -0.4352 -0.0122 0.0465 0.2087 -0.2378 0.4681 0.0309 -0.3953 0.0958 0.1002 0.0793 0.1450 -0.5120 0.1431 1055. (0.00020) RY*( 9) C 71 s( 0.22%)p51.08( 11.04%)d99.99( 88.74%) 0.0000 -0.0020 0.0016 0.0464 0.0146 -0.1367 0.1626 0.0138 -0.1279 0.1817 -0.0019 0.0600 0.1090 -0.5605 -0.2171 -0.0626 -0.2080 -0.0159 -0.2702 -0.5309 -0.3118 -0.0968 0.1311 1056. (0.00015) RY*(10) C 71 s( 1.93%)p 3.87( 7.46%)d47.02( 90.61%) 0.0000 0.0009 0.1176 0.0737 -0.0026 0.0544 0.2345 -0.0047 0.0248 -0.0016 0.0067 0.0039 0.1263 0.4628 0.1956 -0.2707 -0.3624 0.0358 -0.2623 -0.0058 -0.1779 0.3087 0.5020 1057. (0.00011) RY*(11) C 71 s( 5.33%)p10.38( 55.35%)d 7.38( 39.32%) 0.0000 -0.0019 0.2114 -0.0928 0.0023 -0.0080 -0.5084 0.0046 -0.1053 0.2418 -0.0017 0.1188 -0.4596 0.0346 0.2588 -0.3888 -0.2059 -0.0670 -0.2195 -0.1451 0.1275 -0.0704 -0.1910 1058. (0.00011) RY*(12) C 71 s( 0.33%)p62.03( 20.17%)d99.99( 79.50%) 0.0000 0.0005 -0.0202 0.0533 0.0052 0.0582 0.3378 -0.0017 0.0153 0.1100 -0.0004 0.0383 -0.2652 -0.1722 -0.3018 -0.0841 -0.4433 -0.4912 0.0759 0.4104 0.2323 -0.0358 -0.0065 1059. (0.00006) RY*(13) C 71 s( 6.84%)p 4.94( 33.74%)d 8.69( 59.42%) 1060. (0.00003) RY*(14) C 71 s( 4.40%)p 8.72( 38.34%)d13.02( 57.26%) 1061. (0.00003) RY*(15) C 71 s( 0.45%)p99.99( 45.56%)d99.99( 53.99%) 1062. (0.00002) RY*(16) C 71 s( 0.00%)p 1.00( 17.25%)d 4.80( 82.75%) 1063. (0.00002) RY*(17) C 71 s( 2.56%)p 4.67( 11.93%)d33.45( 85.51%) 1064. (0.00000) RY*(18) C 71 s( 86.52%)p 0.13( 11.22%)d 0.03( 2.26%) 1065. (0.00790) RY*( 1) H 72 s( 99.96%)p 0.00( 0.04%) 0.0012 0.9998 -0.0001 -0.0188 -0.0058 -0.0060 1066. (0.00027) RY*( 2) H 72 s( 86.53%)p 0.16( 13.47%) -0.0032 0.0001 0.9302 0.0897 -0.3508 0.0600 1067. (0.00019) RY*( 3) H 72 s( 11.19%)p 7.94( 88.81%) 0.0005 0.0020 0.3345 0.0108 0.8065 -0.4874 1068. (0.00013) RY*( 4) H 72 s( 0.57%)p99.99( 99.43%) 0.0049 0.0153 0.0740 0.4247 0.4396 0.7878 1069. (0.00008) RY*( 5) H 72 s( 1.77%)p55.61( 98.23%) 1070. (0.00295) RY*( 1) C 73 s( 0.71%)p99.99( 92.50%)d 9.62( 6.79%) 0.0000 0.0011 0.0840 0.0018 -0.0071 0.4321 0.0055 -0.0093 0.1432 -0.0018 -0.0108 0.8470 0.0114 -0.1090 0.0027 0.0295 0.0268 -0.1929 -0.0401 0.0183 0.0080 0.1104 0.0548 1071. (0.00181) RY*( 2) C 73 s( 8.97%)p 9.31( 83.45%)d 0.85( 7.58%) 0.0000 0.0085 0.2993 0.0034 0.0116 -0.7913 -0.0155 -0.0021 -0.2012 0.0132 -0.0020 0.4082 0.0273 0.2269 0.0748 0.0125 0.0288 -0.1046 -0.0455 -0.0095 0.0265 -0.0208 0.0591 1072. (0.00053) RY*( 3) C 73 s( 38.88%)p 1.49( 57.75%)d 0.09( 3.37%) 0.0000 0.0107 0.6229 -0.0248 0.0020 0.3222 0.0893 -0.0109 -0.6652 -0.1169 0.0043 -0.0964 -0.0122 -0.0297 -0.1407 0.0040 0.0222 0.0330 0.0403 -0.0217 -0.0509 -0.0783 -0.0247 1073. (0.00020) RY*( 4) C 73 s( 7.17%)p 3.69( 26.50%)d 9.24( 66.32%) 0.0000 -0.0047 0.2635 -0.0480 -0.0129 -0.1935 0.1023 -0.0053 0.2486 -0.3821 0.0025 -0.0777 0.0553 -0.7277 0.2020 0.0834 -0.1197 -0.1280 0.1657 -0.1555 -0.0411 -0.0419 0.0089 1074. (0.00017) RY*( 5) C 73 s( 5.32%)p 0.96( 5.11%)d16.85( 89.58%) 0.0000 -0.0069 0.2295 0.0207 -0.0142 -0.0477 -0.0708 0.0163 0.1566 0.0756 -0.0031 -0.0962 -0.0618 -0.0421 -0.0319 -0.5239 0.3471 -0.1403 0.2138 0.3212 -0.1211 0.4932 -0.2674 1075. (0.00014) RY*( 6) C 73 s( 0.93%)p18.95( 17.58%)d87.86( 81.49%) 0.0000 -0.0036 0.0817 -0.0509 -0.0097 -0.0039 0.0844 -0.0019 0.2154 -0.3375 0.0120 0.0781 -0.0448 0.0680 -0.2403 -0.5091 0.2751 0.3622 -0.2638 -0.3377 0.1860 -0.2479 0.0824 1076. (0.00011) RY*( 7) C 73 s( 14.83%)p 1.45( 21.57%)d 4.29( 63.60%) 0.0000 -0.0122 0.3843 -0.0219 0.0081 -0.0091 0.1909 0.0237 0.4213 -0.0089 -0.0043 -0.0294 0.0108 0.1207 -0.1874 0.2933 -0.1383 0.3871 -0.1759 0.5116 -0.1686 -0.0160 0.0998 1077. (0.00008) RY*( 8) C 73 s( 3.30%)p10.80( 35.60%)d18.54( 61.11%) 1078. (0.00004) RY*( 9) C 73 s( 7.51%)p 1.05( 7.87%)d11.27( 84.62%) 1079. (0.00002) RY*(10) C 73 s( 12.55%)p 3.72( 46.63%)d 3.25( 40.83%) 1080. (0.00000) RY*(11) C 73 s( 94.73%)p 0.04( 4.19%)d 0.01( 1.08%) 1081. (0.00000) RY*(12) C 73 s( 0.79%)p 1.74( 1.37%)d99.99( 97.84%) 1082. (0.00001) RY*(13) C 73 s( 0.03%)p99.99( 97.61%)d85.42( 2.36%) 1083. (0.00000) RY*(14) C 73 s( 0.20%)p27.96( 5.62%)d99.99( 94.18%) 1084. (0.00001) RY*(15) C 73 s( 1.58%)p52.68( 83.35%)d 9.52( 15.07%) 1085. (0.00000) RY*(16) C 73 s( 0.05%)p34.35( 1.85%)d99.99( 98.09%) 1086. (0.00001) RY*(17) C 73 s( 1.67%)p 2.74( 4.57%)d56.24( 93.76%) 1087. (0.00000) RY*(18) C 73 s( 0.84%)p 8.50( 7.17%)d99.99( 91.99%) 1088. (0.00160) RY*( 1) H 74 s( 97.45%)p 0.03( 2.55%) -0.0038 0.9872 -0.0023 -0.0403 0.1542 0.0097 1089. (0.00019) RY*( 2) H 74 s( 72.90%)p 0.37( 27.10%) 0.0006 0.0600 0.8517 -0.2742 -0.4397 -0.0497 1090. (0.00013) RY*( 3) H 74 s( 10.25%)p 8.76( 89.75%) -0.0021 -0.1074 0.3016 -0.1031 0.7046 -0.6249 1091. (0.00011) RY*( 4) H 74 s( 17.61%)p 4.68( 82.39%) 0.0023 -0.0179 0.4192 0.7550 0.2923 0.4104 1092. (0.00002) RY*( 5) H 74 s( 1.82%)p54.04( 98.18%) 1093. (0.00160) RY*( 1) H 75 s( 97.03%)p 0.03( 2.97%) -0.0031 0.9850 -0.0014 0.0743 0.1554 -0.0046 1094. (0.00020) RY*( 2) H 75 s( 95.52%)p 0.05( 4.48%) 0.0017 0.0098 0.9773 -0.1308 0.0044 -0.1665 1095. (0.00013) RY*( 3) H 75 s( 1.72%)p57.17( 98.28%) -0.0003 -0.0132 0.1305 -0.2183 0.2169 0.9424 1096. (0.00011) RY*( 4) H 75 s( 2.22%)p44.06( 97.78%) -0.0008 0.1050 0.1057 0.4133 -0.8539 0.2792 1097. (0.00002) RY*( 5) H 75 s( 3.54%)p27.28( 96.46%) 1098. (0.00128) RY*( 1) H 76 s( 96.46%)p 0.04( 3.54%) -0.0029 0.9822 -0.0002 -0.0213 0.1473 -0.1149 1099. (0.00017) RY*( 2) H 76 s( 34.90%)p 1.87( 65.10%) -0.0004 -0.0165 0.5905 0.7849 0.1019 -0.1568 1100. (0.00013) RY*( 3) H 76 s( 63.95%)p 0.56( 36.05%) 0.0003 0.0340 0.7990 -0.5491 -0.2116 0.1193 1101. (0.00012) RY*( 4) H 76 s( 2.10%)p46.61( 97.90%) 0.0031 -0.0996 0.1052 -0.1309 0.9170 0.3478 1102. (0.00003) RY*( 5) H 76 s( 2.61%)p37.31( 97.39%) 1103. (0.00275) RY*( 1) C 77 s( 1.73%)p51.30( 88.90%)d 5.41( 9.37%) 0.0000 -0.0059 0.1315 0.0006 -0.0009 0.1325 -0.0321 -0.0156 0.9297 0.0043 -0.0114 -0.0752 0.0097 -0.0628 -0.0098 -0.0167 -0.0015 -0.2776 -0.0252 -0.0932 -0.0406 0.0139 -0.0336 1104. (0.00195) RY*( 2) C 77 s( 4.76%)p18.48( 88.03%)d 1.51( 7.21%) 0.0000 0.0007 0.2183 -0.0013 0.0126 -0.9317 -0.0075 -0.0025 0.0937 0.0374 -0.0105 -0.0168 0.0379 0.0644 -0.0096 0.2206 0.0647 -0.0540 -0.0008 0.0574 -0.0100 -0.0026 -0.0930 1105. (0.00073) RY*( 3) C 77 s( 55.73%)p 0.76( 42.20%)d 0.04( 2.07%) 0.0000 0.0126 0.7463 -0.0121 -0.0045 0.1895 0.0103 0.0084 -0.1743 0.0091 -0.0120 -0.5938 -0.0523 0.0037 0.0173 0.0933 -0.0413 -0.0031 -0.0040 0.0697 -0.0533 0.0464 0.0095 1106. (0.00038) RY*( 4) C 77 s( 32.20%)p 1.91( 61.36%)d 0.20( 6.45%) 0.0000 -0.0147 0.5671 -0.0125 -0.0054 0.0686 0.0111 -0.0016 -0.0560 0.0462 0.0102 0.7359 -0.2486 -0.1301 -0.0048 -0.1482 0.0601 -0.0122 -0.0450 -0.0920 0.0259 0.0602 -0.0840 1107. (0.00026) RY*( 5) C 77 s( 0.13%)p18.58( 2.35%)d99.99( 97.52%) 0.0000 -0.0059 0.0350 -0.0025 -0.0017 0.0240 -0.0301 0.0034 0.1042 -0.0373 0.0119 0.0981 0.0033 -0.3844 0.3080 0.3446 -0.2349 0.3210 -0.2484 0.2205 -0.1326 -0.5137 0.2527 1108. (0.00018) RY*( 6) C 77 s( 0.29%)p25.86( 7.46%)d99.99( 92.25%) 0.0000 -0.0027 0.0534 -0.0054 0.0207 0.1442 -0.0621 0.0083 0.1364 0.1295 -0.0029 0.1138 0.0332 0.6369 -0.3330 0.3162 -0.0083 0.3983 -0.3596 0.0524 0.0488 -0.0274 -0.1097 1109. (0.00016) RY*( 7) C 77 s( 1.84%)p13.83( 25.50%)d39.41( 72.66%) 0.0000 -0.0041 0.1114 0.0775 0.0164 0.1182 -0.0830 -0.0132 -0.1415 0.1138 0.0075 0.1330 0.4277 0.1760 -0.0701 0.2452 0.1172 -0.4340 0.2666 -0.2043 0.1218 -0.5456 0.0562 1110. (0.00010) RY*( 8) C 77 s( 1.91%)p 9.26( 17.72%)d42.00( 80.36%) 1111. (0.00007) RY*( 9) C 77 s( 1.46%)p21.18( 30.97%)d46.22( 67.57%) 1112. (0.00003) RY*(10) C 77 s( 0.46%)p28.49( 13.23%)d99.99( 86.31%) 1113. (0.00001) RY*(11) C 77 s( 0.99%)p82.35( 81.74%)d17.39( 17.27%) 1114. (0.00002) RY*(12) C 77 s( 1.36%)p62.08( 84.55%)d10.35( 14.09%) 1115. (0.00000) RY*(13) C 77 s( 95.09%)p 0.04( 3.83%)d 0.01( 1.08%) 1116. (0.00000) RY*(14) C 77 s( 0.43%)p16.73( 7.14%)d99.99( 92.43%) 1117. (0.00000) RY*(15) C 77 s( 0.19%)p 7.03( 1.30%)d99.99( 98.51%) 1118. (0.00000) RY*(16) C 77 s( 0.10%)p14.02( 1.40%)d99.99( 98.50%) 1119. (0.00001) RY*(17) C 77 s( 0.66%)p36.24( 24.09%)d99.99( 75.25%) 1120. (0.00000) RY*(18) C 77 s( 0.71%)p26.23( 18.52%)d99.99( 80.78%) 1121. (0.00267) RY*( 1) H 78 s( 99.19%)p 0.01( 0.81%) -0.0011 0.9959 -0.0028 -0.0080 -0.0269 0.0857 1122. (0.00049) RY*( 2) H 78 s( 92.78%)p 0.08( 7.22%) -0.0003 0.0177 0.9631 0.2137 -0.0214 -0.1615 1123. (0.00018) RY*( 3) H 78 s( 0.42%)p99.99( 99.58%) 0.0017 0.0430 0.0487 -0.7297 -0.2340 -0.6392 1124. (0.00010) RY*( 4) H 78 s( 5.71%)p16.50( 94.29%) 1125. (0.00005) RY*( 5) H 78 s( 1.91%)p51.28( 98.09%) 1126. (0.00209) RY*( 1) H 79 s( 98.21%)p 0.02( 1.79%) -0.0031 0.9910 -0.0009 0.0821 0.0665 0.0818 1127. (0.00024) RY*( 2) H 79 s( 59.92%)p 0.67( 40.08%) -0.0008 0.0035 0.7741 0.1860 -0.5583 0.2334 1128. (0.00014) RY*( 3) H 79 s( 19.09%)p 4.24( 80.91%) 0.0025 0.0549 0.4335 0.0090 0.2422 -0.8662 1129. (0.00009) RY*( 4) H 79 s( 20.12%)p 3.97( 79.88%) 1130. (0.00003) RY*( 5) H 79 s( 2.67%)p36.48( 97.33%) 1131. (0.00179) RY*( 1) H 80 s( 98.11%)p 0.02( 1.89%) -0.0037 0.9905 0.0022 -0.0266 0.0187 0.1336 1132. (0.00027) RY*( 2) H 80 s( 70.77%)p 0.41( 29.23%) 0.0013 -0.0385 0.8404 0.3169 -0.2374 0.3681 1133. (0.00017) RY*( 3) H 80 s( 0.43%)p99.99( 99.57%) 0.0005 0.0264 0.0601 -0.5446 -0.8141 -0.1907 1134. (0.00014) RY*( 4) H 80 s( 28.18%)p 2.55( 71.82%) 0.0004 0.0780 0.5251 -0.2794 0.3916 -0.6977 1135. (0.00002) RY*( 5) H 80 s( 2.53%)p38.57( 97.47%) 1136. (0.00612) RY*( 1) C 81 s( 2.42%)p38.80( 94.08%)d 1.44( 3.49%) 0.0000 -0.0038 0.1555 -0.0060 -0.0318 -0.9668 0.0556 0.0034 -0.0219 0.0064 0.0022 0.0359 -0.0160 0.0868 0.0021 0.0827 0.0171 -0.0592 0.0492 -0.0777 0.0594 0.0624 -0.0299 1137. (0.00217) RY*( 2) C 81 s( 0.09%)p99.99( 93.84%)d69.94( 6.07%) 0.0000 0.0000 0.0290 0.0052 0.0000 0.0422 0.0060 0.0044 -0.5897 -0.0920 -0.0079 0.7548 0.1022 0.1414 0.0061 -0.1530 0.0109 -0.0059 -0.0121 -0.0601 0.0166 -0.1143 -0.0048 1138. (0.00163) RY*( 3) C 81 s( 1.38%)p62.17( 86.07%)d 9.06( 12.54%) 0.0000 -0.0193 0.1154 0.0123 -0.0123 0.0358 0.0844 0.0033 0.7301 -0.0397 0.0013 0.5630 -0.0215 0.0590 -0.0738 0.0539 -0.0945 0.2292 -0.0989 -0.1827 -0.0246 0.0899 0.0175 1139. (0.00062) RY*( 4) C 81 s( 1.62%)p10.09( 16.30%)d50.80( 82.08%) 0.0000 -0.0035 0.1252 0.0216 -0.0087 0.1238 0.2757 -0.0051 0.0955 0.2237 -0.0038 0.0930 0.0612 -0.0413 0.4920 0.0138 0.4496 -0.2746 0.3715 -0.1125 0.2859 0.1723 -0.1932 1140. (0.00055) RY*( 5) C 81 s( 69.24%)p 0.23( 15.66%)d 0.22( 15.10%) 0.0000 0.0034 0.8316 -0.0282 -0.0123 0.1377 0.1015 0.0063 -0.1493 -0.1851 0.0088 -0.1788 -0.1963 -0.0023 0.0176 0.0249 0.0607 0.1642 -0.2528 -0.2151 0.0759 -0.0578 -0.0123 1141. (0.00043) RY*( 6) C 81 s( 0.86%)p14.32( 12.30%)d99.99( 86.84%) 0.0000 0.0009 0.0923 0.0078 -0.0009 0.0090 -0.0201 0.0101 -0.0880 -0.2391 -0.0118 0.0427 0.2356 -0.0962 0.0047 0.1121 0.0524 0.1605 -0.1014 0.4088 -0.1993 0.6773 -0.3772 1142. (0.00028) RY*( 7) C 81 s( 0.86%)p11.37( 9.77%)d99.99( 89.37%) 0.0000 0.0002 0.0927 0.0023 0.0012 0.0019 -0.0533 0.0039 -0.0296 -0.1639 -0.0095 0.0617 0.2514 -0.2689 0.3441 0.3391 -0.3573 0.0282 0.0696 0.1995 0.3412 0.0500 0.5440 1143. (0.00023) RY*( 8) C 81 s( 5.28%)p 7.15( 37.76%)d10.79( 56.96%) 0.0000 -0.0022 0.2275 -0.0319 0.0031 -0.0159 0.0471 0.0081 -0.0143 0.2590 0.0027 -0.0391 0.5534 -0.2537 -0.1897 0.0433 -0.0222 0.3373 0.4235 -0.0490 -0.2614 -0.2989 -0.1173 1144. (0.00017) RY*( 9) C 81 s( 6.64%)p 3.27( 21.71%)d10.80( 71.65%) 0.0000 -0.0034 0.2529 0.0487 0.0075 -0.0100 0.1695 -0.0131 0.0759 0.4088 -0.0006 0.0339 -0.1187 0.2682 0.0029 -0.3748 -0.2149 0.0464 0.0359 0.6591 0.1160 -0.0563 0.0587 1145. (0.00017) RY*(10) C 81 s( 1.27%)p 6.95( 8.84%)d70.69( 89.89%) 0.0000 -0.0042 0.0566 0.0974 0.0055 -0.0290 0.1303 -0.0121 0.1327 -0.1365 -0.0159 0.1117 0.1465 -0.4004 -0.2538 0.1035 0.1154 -0.4522 -0.3216 0.2936 0.1926 -0.3846 -0.2663 1146. (0.00013) RY*(11) C 81 s( 0.33%)p99.99( 50.66%)d99.99( 49.01%) 0.0000 0.0001 0.0494 -0.0296 -0.0009 0.0178 -0.3234 0.0092 -0.1062 0.4575 -0.0083 0.1798 -0.3854 -0.1865 -0.1996 0.4966 0.3278 0.1368 -0.0057 0.1661 0.0106 0.0525 0.1106 1147. (0.00011) RY*(12) C 81 s( 0.43%)p36.14( 15.40%)d99.99( 84.18%) 0.0000 -0.0016 0.0558 0.0339 -0.0053 -0.0039 -0.2547 -0.0037 0.1207 -0.0887 0.0031 -0.0289 0.2564 0.5115 0.3763 0.2832 0.2765 -0.0229 -0.1932 0.2047 -0.2925 -0.3411 0.0156 1148. (0.00005) RY*(13) C 81 s( 6.73%)p 9.52( 64.12%)d 4.33( 29.14%) 1149. (0.00005) RY*(14) C 81 s( 7.70%)p 0.84( 6.48%)d11.14( 85.82%) 1150. (0.00002) RY*(15) C 81 s( 0.63%)p61.84( 38.81%)d96.49( 60.56%) 1151. (0.00002) RY*(16) C 81 s( 0.88%)p13.90( 12.28%)d98.30( 86.84%) 1152. (0.00001) RY*(17) C 81 s( 0.07%)p99.99( 12.66%)d99.99( 87.27%) 1153. (0.00001) RY*(18) C 81 s( 93.57%)p 0.04( 3.46%)d 0.03( 2.97%) 1154. (0.00656) RY*( 1) H 82 s( 99.94%)p 0.00( 0.06%) 0.0015 0.9997 -0.0001 -0.0083 0.0129 0.0195 1155. (0.00024) RY*( 2) H 82 s( 77.09%)p 0.30( 22.91%) -0.0026 0.0008 0.8780 0.1973 0.3848 -0.2054 1156. (0.00020) RY*( 3) H 82 s( 14.36%)p 5.96( 85.64%) -0.0006 -0.0091 0.3789 0.0520 -0.4649 0.7985 1157. (0.00016) RY*( 4) H 82 s( 8.57%)p10.66( 91.43%) 0.0057 0.0097 0.2926 -0.6629 -0.5496 -0.4156 1158. (0.00007) RY*( 5) H 82 s( 0.06%)p99.99( 99.94%) 1159. (0.00703) RY*( 1) C 83 s( 0.22%)p99.99( 95.92%)d17.15( 3.85%) 0.0000 0.0405 0.0240 -0.0057 -0.0119 -0.0875 -0.0075 -0.0451 -0.9582 0.0066 0.0180 0.1757 -0.0043 -0.0193 -0.0532 0.0435 -0.0774 0.0267 0.1024 0.0714 0.0518 -0.0247 0.0886 1160. (0.00395) RY*( 2) C 83 s( 6.01%)p13.23( 79.56%)d 2.40( 14.43%) 0.0000 -0.0035 0.2450 -0.0090 -0.0029 0.3745 0.0007 -0.0139 0.1206 -0.0130 -0.0226 0.7999 0.0116 0.1980 0.0014 0.0093 0.0055 0.3087 -0.0133 0.0127 -0.0218 -0.0873 -0.0350 1161. (0.00234) RY*( 3) C 83 s( 6.55%)p13.35( 87.39%)d 0.93( 6.07%) 0.0000 -0.0074 0.2555 -0.0109 -0.0353 0.7778 -0.0003 0.0007 -0.1645 0.0191 0.0205 -0.4894 -0.0192 0.1323 -0.0614 -0.1011 0.0392 0.0850 0.0257 0.0585 -0.0723 -0.0100 -0.1048 1162. (0.00157) RY*( 4) C 83 s( 74.76%)p 0.25( 18.48%)d 0.09( 6.77%) 0.0000 -0.0029 0.8645 -0.0165 -0.0051 -0.4033 0.0070 -0.0414 0.0124 0.0625 0.0038 -0.1275 0.0008 -0.0368 0.0625 -0.1624 -0.0067 0.1321 -0.0405 -0.0393 -0.0603 -0.0323 -0.1033 1163. (0.00064) RY*( 5) C 83 s( 3.54%)p 0.68( 2.40%)d26.60( 94.06%) 0.0000 -0.0164 0.1856 0.0251 -0.0023 0.0467 0.0254 0.0105 0.0597 0.1222 -0.0016 -0.0295 -0.0415 0.2944 -0.0245 0.3943 -0.1292 -0.4055 0.2500 -0.3189 0.2232 -0.4765 0.2752 1164. (0.00059) RY*( 6) C 83 s( 1.26%)p 0.22( 0.28%)d78.15( 98.47%) 0.0000 0.0005 0.1119 -0.0093 0.0037 0.0126 -0.0157 -0.0019 -0.0251 0.0130 0.0097 -0.0279 -0.0256 0.0885 0.0946 0.5390 0.2817 0.1033 0.0708 -0.2748 -0.2391 0.6264 0.2393 1165. (0.00037) RY*( 7) C 83 s( 0.62%)p 9.53( 5.94%)d99.99( 93.43%) 0.0000 0.0270 -0.0504 0.0545 0.0145 -0.0780 0.0710 0.0005 0.0451 0.0631 -0.0069 -0.1351 -0.1542 -0.2086 -0.1105 0.5989 -0.0444 0.4406 0.0305 0.3323 -0.1852 -0.3745 -0.1949 1166. (0.00033) RY*( 8) C 83 s( 3.52%)p 3.07( 10.83%)d24.30( 85.64%) 0.0000 -0.0085 0.1852 -0.0294 -0.0076 0.2689 0.0060 -0.0100 0.0164 0.0054 0.0002 0.1517 -0.1117 -0.8093 0.1326 0.1433 -0.1340 -0.3286 -0.1456 -0.0400 0.0853 0.0563 0.0643 1167. (0.00024) RY*( 9) C 83 s( 1.63%)p 7.62( 12.43%)d52.71( 85.94%) 0.0000 0.0161 0.1223 0.0330 -0.0032 -0.0033 -0.1089 0.0050 0.0355 0.2528 0.0160 0.0685 0.2056 0.2529 0.0539 0.1887 -0.1024 -0.4340 -0.1968 0.6902 -0.0796 0.1913 -0.0049 1168. (0.00014) RY*(10) C 83 s( 0.01%)p99.99( 39.04%)d99.99( 60.95%) 0.0000 0.0063 -0.0056 0.0054 -0.0054 -0.0045 0.3060 0.0005 -0.0117 -0.1356 0.0107 -0.0798 -0.5213 0.1901 0.3483 -0.0355 -0.1397 0.1506 -0.4320 0.1487 0.1811 0.0024 0.4086 1169. (0.00009) RY*(11) C 83 s( 0.42%)p49.54( 20.98%)d99.99( 78.60%) 1170. (0.00006) RY*(12) C 83 s( 0.10%)p16.60( 1.58%)d99.99( 98.32%) 1171. (0.00004) RY*(13) C 83 s( 2.05%)p34.94( 71.74%)d12.76( 26.20%) 1172. (0.00004) RY*(14) C 83 s( 1.35%)p12.14( 16.38%)d60.94( 82.27%) 1173. (0.00004) RY*(15) C 83 s( 0.17%)p99.99( 48.17%)d99.99( 51.65%) 1174. (0.00001) RY*(16) C 83 s( 0.11%)p99.99( 84.91%)d99.99( 14.98%) 1175. (0.00002) RY*(17) C 83 s( 1.15%)p 1.79( 2.06%)d84.30( 96.79%) 1176. (0.00001) RY*(18) C 83 s( 96.65%)p 0.02( 2.06%)d 0.01( 1.30%) 1177. (0.00824) RY*( 1) C 84 s( 0.22%)p99.99( 93.49%)d28.01( 6.29%) 0.0000 -0.0059 0.0468 0.0046 -0.0073 -0.2321 0.0028 0.0131 0.8337 -0.0199 0.0261 0.4298 -0.0010 -0.0322 0.0714 -0.0583 -0.0340 0.0741 -0.2006 -0.0484 -0.0606 0.0196 0.0044 1178. (0.00529) RY*( 2) C 84 s( 0.24%)p99.99( 96.07%)d15.59( 3.69%) 0.0000 0.0010 0.0486 0.0029 -0.0042 -0.6002 -0.0054 0.0131 -0.4932 -0.0460 -0.0008 0.5955 0.0165 0.0254 0.0093 -0.0103 -0.0747 -0.0512 -0.0599 -0.0908 0.0563 -0.0059 0.1134 1179. (0.00383) RY*( 3) C 84 s( 3.96%)p23.31( 92.43%)d 0.91( 3.60%) 0.0000 0.0083 0.1988 0.0075 0.0194 -0.7194 0.0238 -0.0091 0.1115 0.0204 0.0069 -0.6268 0.0067 0.0917 -0.1118 -0.0060 0.0406 0.0694 -0.0090 -0.0168 -0.0695 0.0415 -0.0411 1180. (0.00236) RY*( 4) C 84 s( 88.42%)p 0.06( 5.53%)d 0.07( 6.05%) 0.0000 -0.0108 0.9403 -0.0031 0.0028 0.1917 -0.0346 -0.0082 -0.0501 0.0547 -0.0202 0.0759 0.0751 -0.0518 0.0278 -0.1505 -0.0373 0.0783 0.0876 -0.0545 -0.0871 0.0690 0.0620 1181. (0.00060) RY*( 5) C 84 s( 1.22%)p 6.79( 8.27%)d74.39( 90.52%) 0.0000 0.0022 0.1082 -0.0215 0.0018 0.0571 0.0549 -0.0056 0.0336 0.1131 0.0010 -0.1317 -0.2123 0.3447 0.2002 -0.0174 -0.1075 -0.4350 -0.4397 0.0778 0.3657 -0.0505 0.4578 1182. (0.00055) RY*( 6) C 84 s( 0.17%)p 5.46( 0.90%)d99.99( 98.93%) 0.0000 -0.0036 0.0406 0.0000 -0.0101 -0.0005 0.0173 -0.0007 -0.0185 -0.0414 -0.0074 -0.0689 -0.0423 -0.3278 0.2214 0.4200 -0.2488 -0.3202 -0.1491 -0.3083 -0.0159 0.5574 -0.2526 1183. (0.00037) RY*( 7) C 84 s( 0.10%)p99.99( 16.77%)d99.99( 83.13%) 0.0000 0.0068 0.0196 0.0231 -0.0019 -0.0553 0.0030 -0.0030 0.0969 0.3840 0.0062 0.0221 -0.0850 -0.2568 -0.1886 0.3105 -0.2915 0.2791 0.3270 0.1229 0.5538 0.0104 0.2042 1184. (0.00030) RY*( 8) C 84 s( 0.06%)p56.81( 3.51%)d99.99( 96.42%) 0.0000 0.0040 0.0236 -0.0067 0.0117 -0.0457 -0.1211 0.0070 -0.0473 -0.1101 0.0009 -0.0585 0.0203 -0.6097 -0.1913 -0.3588 -0.1588 -0.2048 -0.3267 0.4474 0.1131 -0.1227 -0.1590 1185. (0.00023) RY*( 9) C 84 s( 0.75%)p18.84( 14.05%)d99.99( 85.21%) 0.0000 0.0159 0.0818 0.0225 -0.0022 -0.0022 -0.0494 0.0181 -0.0416 -0.3049 -0.0061 0.0505 0.2010 0.2258 0.1740 0.3071 0.1731 0.2978 -0.1662 0.6185 0.1676 0.3315 -0.0985 1186. (0.00015) RY*(10) C 84 s( 2.40%)p 2.03( 4.88%)d38.59( 92.72%) 0.0000 0.0106 0.1508 -0.0343 0.0052 -0.0769 -0.0230 -0.0067 0.1311 -0.0145 -0.0039 0.1292 -0.0905 0.1090 -0.1406 0.2646 0.2661 -0.6210 0.4178 0.2444 0.0764 -0.2010 -0.2976 1187. (0.00013) RY*(11) C 84 s( 2.76%)p 5.66( 15.61%)d29.63( 81.64%) 0.0000 0.0089 0.0194 0.1646 0.0029 -0.0782 0.2070 0.0017 -0.0404 0.1150 0.0066 -0.0269 -0.3024 -0.4415 0.4969 0.1263 0.4853 0.0752 0.0345 0.1145 -0.1560 -0.1411 0.2426 1188. (0.00008) RY*(12) C 84 s( 3.57%)p 2.45( 8.72%)d24.58( 87.71%) 1189. (0.00006) RY*(13) C 84 s( 0.67%)p78.21( 52.50%)d69.75( 46.82%) 1190. (0.00004) RY*(14) C 84 s( 0.24%)p31.27( 7.40%)d99.99( 92.37%) 1191. (0.00003) RY*(15) C 84 s( 1.17%)p73.10( 85.51%)d11.39( 13.32%) 1192. (0.00001) RY*(16) C 84 s( 0.06%)p99.99( 92.30%)d99.99( 7.64%) 1193. (0.00001) RY*(17) C 84 s( 94.05%)p 0.02( 1.62%)d 0.05( 4.33%) 1194. (0.00001) RY*(18) C 84 s( 0.01%)p 1.00( 0.59%)d99.99( 99.40%) 1195. (0.00562) RY*( 1) C 85 s( 0.51%)p99.99( 93.22%)d12.23( 6.27%) 0.0000 -0.0216 0.0669 -0.0133 0.0136 0.3716 -0.0051 -0.0040 0.1303 0.0126 -0.0286 -0.8808 0.0132 -0.0023 -0.0520 0.0342 0.0680 0.0070 0.0867 0.0363 -0.1379 -0.0052 -0.1620 1196. (0.00187) RY*( 2) C 85 s( 6.84%)p12.32( 84.25%)d 1.30( 8.91%) 0.0000 0.0168 0.2609 -0.0003 0.0001 0.0618 0.0331 0.0224 -0.8985 -0.0934 -0.0044 -0.1363 -0.0494 -0.0668 0.0009 -0.0317 -0.0130 0.1388 0.0051 -0.1759 0.1464 -0.0628 0.0888 1197. (0.00129) RY*( 3) C 85 s( 0.21%)p99.99( 89.88%)d48.10( 9.91%) 0.0000 -0.0013 0.0448 -0.0071 0.0001 0.8638 -0.0577 0.0026 -0.0074 0.0014 -0.0003 0.3842 -0.0409 -0.0978 -0.0292 0.1459 -0.0365 -0.1077 0.0220 -0.0723 0.0084 0.2007 -0.0919 1198. (0.00094) RY*( 4) C 85 s( 80.99%)p 0.11( 9.20%)d 0.12( 9.81%) 0.0000 -0.0153 0.8992 -0.0325 0.0090 -0.1028 -0.0343 -0.0106 0.2120 0.1553 -0.0236 0.0829 0.0594 0.0368 -0.0253 -0.1800 0.1307 -0.0815 0.0517 -0.0929 0.0233 0.1241 -0.1129 1199. (0.00046) RY*( 5) C 85 s( 0.16%)p47.44( 7.76%)d99.99( 92.08%) 0.0000 -0.0111 0.0323 0.0217 -0.0008 0.0941 -0.0195 -0.0061 0.2418 0.0768 -0.0122 -0.0447 -0.0425 0.2897 0.3276 0.2007 -0.0907 0.4997 -0.0872 -0.5506 0.2228 -0.1286 0.2330 1200. (0.00043) RY*( 6) C 85 s( 0.16%)p25.16( 4.09%)d99.99( 95.75%) 0.0000 -0.0090 0.0379 0.0104 0.0090 0.0399 0.0295 -0.0052 0.1880 0.0185 -0.0059 -0.0488 -0.0159 -0.7512 -0.1804 -0.1153 -0.0646 -0.0414 -0.2919 -0.1754 0.2287 -0.3832 0.1628 1201. (0.00028) RY*( 7) C 85 s( 2.63%)p10.19( 26.77%)d26.89( 70.61%) 0.0000 0.0051 0.1519 -0.0562 0.0010 0.0045 0.0258 -0.0070 0.0425 -0.5128 -0.0024 0.0384 -0.0266 -0.1292 0.2217 0.0628 0.0829 0.4191 -0.5199 0.2948 -0.2201 0.1356 -0.1722 1202. (0.00017) RY*( 8) C 85 s( 3.38%)p 7.51( 25.35%)d21.10( 71.27%) 0.0000 0.0253 0.1798 -0.0285 -0.0024 -0.0433 -0.0855 0.0012 -0.0811 0.4809 -0.0005 -0.0488 0.0640 -0.0518 0.0788 0.5680 -0.3716 -0.0147 -0.2091 0.4058 -0.0464 -0.0287 0.1777 1203. (0.00014) RY*( 9) C 85 s( 6.10%)p 2.22( 13.55%)d13.16( 80.34%) 0.0000 -0.0052 0.0126 0.2467 -0.0018 -0.0337 -0.1435 -0.0226 0.0915 -0.1820 0.0000 -0.0590 0.2614 -0.2223 -0.1387 -0.0300 -0.1906 0.3426 0.3895 0.2172 0.3611 0.4471 0.2260 1204. (0.00010) RY*(10) C 85 s( 1.50%)p 8.00( 11.97%)d57.85( 86.53%) 0.0000 0.0039 0.0553 0.1090 0.0088 0.2831 0.0128 -0.0046 0.0060 0.1216 0.0034 0.0811 0.1339 0.2542 -0.0429 -0.4296 0.1556 0.2249 -0.0106 0.4329 -0.0700 -0.4271 0.4058 1205. (0.00003) RY*(11) C 85 s( 0.43%)p 5.26( 2.25%)d99.99( 97.32%) 1206. (0.00003) RY*(12) C 85 s( 12.62%)p 5.13( 64.78%)d 1.79( 22.59%) 1207. (0.00004) RY*(13) C 85 s( 1.90%)p 3.60( 6.83%)d48.08( 91.28%) 1208. (0.00001) RY*(14) C 85 s( 73.44%)p 0.33( 24.60%)d 0.03( 1.96%) 1209. (0.00000) RY*(15) C 85 s( 1.10%)p 5.93( 6.51%)d84.18( 92.39%) 1210. (0.00001) RY*(16) C 85 s( 1.98%)p 8.16( 16.16%)d41.33( 81.86%) 1211. (0.00000) RY*(17) C 85 s( 3.45%)p27.50( 94.91%)d 0.48( 1.64%) 1212. (0.00001) RY*(18) C 85 s( 2.74%)p 6.57( 18.01%)d28.89( 79.25%) 1213. (0.00304) RY*( 1) H 86 s( 99.24%)p 0.01( 0.76%) -0.0031 0.9962 -0.0003 -0.0311 0.0404 0.0707 1214. (0.00029) RY*( 2) H 86 s( 87.01%)p 0.15( 12.99%) 0.0032 0.0126 0.9327 0.0602 0.2251 -0.2749 1215. (0.00028) RY*( 3) H 86 s( 0.18%)p99.99( 99.82%) 0.0004 -0.0018 0.0418 0.9163 0.0620 0.3934 1216. (0.00006) RY*( 4) H 86 s( 4.55%)p20.99( 95.45%) 1217. (0.00004) RY*( 5) H 86 s( 9.04%)p10.06( 90.96%) 1218. (0.00541) RY*( 1) C 87 s( 0.80%)p99.99( 89.07%)d12.60( 10.13%) 0.0000 -0.0269 0.0742 -0.0425 0.0030 -0.0621 0.0014 0.0353 -0.8979 -0.0146 -0.0103 0.2812 0.0032 0.0223 -0.0654 0.0965 -0.1353 -0.0223 0.1440 0.0556 0.1082 -0.0542 0.1730 1219. (0.00193) RY*( 2) C 87 s( 0.00%)p 1.00( 99.87%)d 0.00( 0.13%) 0.0000 -0.0006 -0.0002 0.0013 -0.0163 -0.4509 0.0770 0.0118 0.2892 -0.0574 0.0347 0.8202 -0.1680 -0.0026 0.0117 -0.0070 -0.0076 -0.0203 -0.0168 0.0134 0.0072 0.0049 0.0107 1220. (0.00117) RY*( 3) C 87 s( 1.08%)p80.24( 86.89%)d11.11( 12.03%) 0.0000 -0.0004 0.1038 0.0067 -0.0020 0.8168 0.1161 0.0025 0.0713 -0.0069 0.0010 0.4259 0.0403 0.2900 -0.0843 -0.0583 0.0501 0.1291 -0.0506 -0.0626 0.0073 0.0005 0.0019 1221. (0.00081) RY*( 4) C 87 s( 61.84%)p 0.06( 4.00%)d 0.55( 34.16%) 0.0000 -0.0030 0.7864 -0.0007 -0.0003 -0.0560 -0.0153 0.0093 0.1665 -0.0249 -0.0027 -0.0902 -0.0081 0.0746 -0.0589 0.1536 -0.0863 -0.2470 0.1753 -0.2916 0.1951 -0.2282 0.1861 1222. (0.00048) RY*( 5) C 87 s( 0.01%)p 1.00( 0.55%)d99.99( 99.44%) 0.0000 0.0020 0.0085 -0.0010 -0.0077 0.0617 0.0222 -0.0020 0.0220 -0.0064 -0.0041 0.0169 0.0186 -0.1679 -0.1291 -0.4861 -0.2658 -0.1600 -0.0493 0.3649 0.1595 -0.6265 -0.2522 1223. (0.00030) RY*( 6) C 87 s( 14.88%)p 0.27( 4.04%)d 5.45( 81.09%) 0.0000 -0.0211 0.3784 -0.0718 -0.0004 -0.0536 -0.0116 0.0252 -0.1216 0.1328 -0.0086 0.0100 -0.0643 -0.2401 0.0486 -0.6204 0.1611 0.2550 -0.0689 -0.0979 0.1700 0.4524 -0.1647 1224. (0.00018) RY*( 7) C 87 s( 0.03%)p99.99( 11.37%)d99.99( 88.60%) 0.0000 0.0001 0.0135 -0.0113 -0.0005 0.0118 0.1178 0.0015 -0.0150 -0.0806 0.0020 -0.0422 -0.3020 0.0608 -0.3558 -0.0319 0.1891 -0.0945 0.6835 0.0520 -0.3029 0.0731 -0.3781 1225. (0.00008) RY*( 8) C 87 s( 20.46%)p 0.01( 0.27%)d 3.87( 79.27%) 1226. (0.00006) RY*( 9) C 87 s( 6.30%)p 6.34( 39.95%)d 8.53( 53.74%) 1227. (0.00006) RY*(10) C 87 s( 0.98%)p47.30( 46.45%)d53.53( 52.57%) 1228. (0.00003) RY*(11) C 87 s( 6.73%)p 4.44( 29.84%)d 9.43( 63.43%) 1229. (0.00003) RY*(12) C 87 s( 4.36%)p 4.85( 21.16%)d17.07( 74.48%) 1230. (0.00003) RY*(13) C 87 s( 3.21%)p 5.93( 19.04%)d24.20( 77.75%) 1231. (0.00001) RY*(14) C 87 s( 0.80%)p99.99( 83.08%)d20.15( 16.12%) 1232. (0.00000) RY*(15) C 87 s( 0.05%)p99.99( 10.18%)d99.99( 89.77%) 1233. (0.00000) RY*(16) C 87 s( 5.02%)p 3.81( 19.12%)d15.12( 75.87%) 1234. (0.00001) RY*(17) C 87 s( 1.56%)p 6.01( 9.36%)d57.24( 89.09%) 1235. (0.00000) RY*(18) C 87 s( 72.03%)p 0.36( 25.87%)d 0.03( 2.11%) 1236. (0.00189) RY*( 1) H 88 s( 99.12%)p 0.01( 0.88%) 0.0018 0.9956 0.0025 0.0198 0.0887 -0.0223 1237. (0.00025) RY*( 2) H 88 s( 2.28%)p42.84( 97.72%) 0.0007 -0.0180 0.1500 0.8982 0.0980 0.4011 1238. (0.00022) RY*( 3) H 88 s( 89.98%)p 0.11( 10.02%) 0.0030 -0.0258 0.9482 -0.1157 0.2491 -0.1575 1239. (0.00006) RY*( 4) H 88 s( 0.01%)p 1.00( 99.99%) 1240. (0.00004) RY*( 5) H 88 s( 8.64%)p10.58( 91.36%) 1241. (0.00571) RY*( 1) C 89 s( 0.55%)p99.99( 93.00%)d11.68( 6.45%) 0.0000 -0.0217 0.0690 -0.0167 -0.0120 -0.3183 0.0047 0.0149 0.6325 0.0019 0.0248 0.6538 -0.0130 0.0058 0.1055 0.0231 -0.0054 0.0159 -0.2216 0.0512 -0.0132 -0.0150 0.0192 1242. (0.00193) RY*( 2) C 89 s( 5.56%)p15.64( 86.92%)d 1.35( 7.52%) 0.0000 0.0159 0.2352 -0.0028 0.0036 -0.0964 -0.0515 0.0205 -0.6650 -0.0300 -0.0104 0.6381 0.0803 0.0296 -0.0454 -0.1112 0.0153 -0.1763 0.1367 -0.0100 0.0689 0.0584 0.0407 1243. (0.00122) RY*( 3) C 89 s( 0.19%)p99.99( 88.78%)d58.99( 11.04%) 0.0000 0.0050 0.0430 -0.0002 0.0043 -0.8805 0.0437 0.0033 -0.1336 -0.0625 -0.0002 -0.2907 0.0656 0.2666 -0.0607 0.0277 -0.0220 0.1025 0.0003 -0.0290 0.0351 0.1292 -0.0712 1244. (0.00079) RY*( 4) C 89 s( 80.56%)p 0.10( 7.93%)d 0.14( 11.52%) 0.0000 -0.0120 0.8967 -0.0361 -0.0134 0.0638 0.0502 0.0067 0.0550 0.1124 0.0193 -0.1717 -0.1642 -0.0932 0.0674 -0.0873 0.0715 0.1741 -0.1536 -0.1677 0.0836 -0.0083 0.0111 1245. (0.00049) RY*( 5) C 89 s( 0.59%)p15.62( 9.25%)d99.99( 90.16%) 0.0000 -0.0127 0.0754 0.0090 0.0001 0.0875 -0.0448 0.0026 0.2294 0.1430 0.0146 -0.0334 -0.0919 0.6043 -0.0457 -0.4575 -0.0566 -0.3419 0.3658 -0.0438 0.1374 -0.1719 -0.1442 1246. (0.00044) RY*( 6) C 89 s( 0.89%)p 5.66( 5.03%)d99.99( 94.08%) 0.0000 -0.0101 0.0919 0.0185 -0.0116 -0.0364 0.0422 0.0013 0.2004 0.0226 0.0070 -0.0637 0.0478 -0.2297 -0.3092 0.1952 0.2080 -0.5754 0.1990 -0.2529 -0.0586 0.5205 0.0456 1247. (0.00029) RY*( 7) C 89 s( 5.22%)p 3.16( 16.52%)d14.98( 78.26%) 0.0000 0.0071 0.2212 -0.0572 -0.0055 0.0420 -0.1054 -0.0028 0.0498 -0.3140 0.0060 -0.0521 0.2200 -0.0386 0.0682 -0.1023 0.1303 -0.0510 0.1093 0.5711 -0.4452 0.1200 -0.4424 1248. (0.00019) RY*( 8) C 89 s( 1.26%)p27.16( 34.32%)d50.97( 64.42%) 0.0000 0.0229 0.1095 0.0114 -0.0003 -0.1280 0.2008 0.0018 -0.0213 0.4172 -0.0043 0.0152 -0.3343 -0.0829 -0.1332 0.4008 -0.1625 -0.1018 0.3334 0.3917 -0.2232 -0.3077 0.1140 1249. (0.00013) RY*( 9) C 89 s( 6.47%)p 1.85( 11.99%)d12.60( 81.53%) 0.0000 -0.0052 0.0285 0.2528 -0.0069 -0.0140 0.0655 -0.0191 0.1126 -0.2791 0.0108 -0.0203 -0.1548 -0.1902 -0.0444 -0.2576 -0.1842 0.1926 0.3226 0.3891 0.3940 0.3109 0.3639 1250. (0.00010) RY*(10) C 89 s( 0.37%)p25.73( 9.48%)d99.99( 90.15%) 0.0000 0.0075 0.0531 0.0285 0.0086 0.2614 -0.0067 -0.0033 -0.0036 0.0148 0.0073 0.1307 -0.0948 0.5332 -0.3905 0.3501 -0.1463 0.3425 -0.1103 0.0589 -0.0283 0.4199 -0.1032 1251. (0.00003) RY*(11) C 89 s( 7.57%)p 8.63( 65.27%)d 3.59( 27.16%) 1252. (0.00003) RY*(12) C 89 s( 4.27%)p 4.00( 17.06%)d18.44( 78.68%) 1253. (0.00003) RY*(13) C 89 s( 2.67%)p 3.53( 9.41%)d32.96( 87.92%) 1254. (0.00001) RY*(14) C 89 s( 1.15%)p16.21( 18.59%)d70.02( 80.27%) 1255. (0.00001) RY*(15) C 89 s( 1.26%)p18.63( 23.41%)d59.93( 75.33%) 1256. (0.00001) RY*(16) C 89 s( 1.48%)p57.78( 85.52%)d 8.78( 13.00%) 1257. (0.00000) RY*(17) C 89 s( 0.28%)p 8.78( 2.42%)d99.99( 97.31%) 1258. (0.00001) RY*(18) C 89 s( 79.81%)p 0.19( 15.21%)d 0.06( 4.97%) 1259. (0.00289) RY*( 1) H 90 s( 99.22%)p 0.01( 0.78%) -0.0029 0.9961 -0.0008 0.0231 -0.0179 -0.0832 1260. (0.00030) RY*( 2) H 90 s( 45.19%)p 1.21( 54.81%) 0.0022 0.0225 0.6719 0.5793 0.2852 0.3622 1261. (0.00024) RY*( 3) H 90 s( 42.30%)p 1.36( 57.70%) 0.0026 0.0010 0.6504 -0.7015 0.1818 -0.2277 1262. (0.00006) RY*( 4) H 90 s( 3.93%)p24.43( 96.07%) 1263. (0.00004) RY*( 5) H 90 s( 9.37%)p 9.67( 90.63%) 1264. (0.00894) RY*( 1) C 91 s( 0.40%)p99.99( 93.98%)d13.94( 5.62%) 0.0000 -0.0077 0.0630 0.0009 0.0107 0.4164 -0.0071 -0.0005 0.4165 -0.0214 -0.0303 -0.7690 0.0073 0.0053 -0.0423 -0.0751 0.0377 -0.0118 0.0654 -0.0053 -0.1561 0.0721 -0.1154 1265. (0.00544) RY*( 2) C 91 s( 1.00%)p95.01( 95.26%)d 3.72( 3.73%) 0.0000 -0.0035 0.1001 0.0000 -0.0040 0.3709 -0.0118 -0.0070 0.6969 0.0323 0.0126 0.5723 -0.0203 -0.0811 0.0983 0.0442 -0.0096 -0.0308 -0.1142 0.0408 0.0101 0.0442 -0.0366 1266. (0.00417) RY*( 3) C 91 s( 0.34%)p99.99( 95.37%)d12.44( 4.28%) 0.0000 0.0011 0.0581 0.0080 0.0022 -0.8046 0.0106 -0.0081 0.5312 0.0474 0.0003 -0.1463 0.0174 0.0528 -0.0344 -0.0694 0.0547 0.0557 -0.1572 0.0436 -0.0257 -0.0210 0.0151 1267. (0.00202) RY*( 4) C 91 s( 91.28%)p 0.04( 3.27%)d 0.06( 5.45%) 0.0000 -0.0067 0.9554 0.0002 -0.0147 -0.0213 0.0350 0.0050 -0.1272 -0.0195 0.0150 0.0133 -0.1175 0.0254 -0.0129 -0.1068 -0.1127 0.0606 0.0265 -0.0203 -0.0182 0.1476 0.0518 1268. (0.00056) RY*( 5) C 91 s( 1.07%)p 9.65( 10.35%)d82.63( 88.58%) 0.0000 0.0023 0.1035 -0.0013 -0.0012 -0.0602 -0.0897 -0.0041 0.0830 0.2451 0.0035 0.1000 0.1216 -0.1502 -0.3137 0.1867 0.1522 0.1746 0.6532 -0.2148 -0.1211 -0.3690 -0.2294 1269. (0.00046) RY*( 6) C 91 s( 0.15%)p37.93( 5.66%)d99.99( 94.19%) 0.0000 0.0062 -0.0265 0.0274 -0.0044 0.0762 0.0217 -0.0072 0.0513 0.2178 -0.0054 -0.0020 0.0108 0.7167 -0.3418 0.2647 -0.1629 0.1973 -0.0472 -0.0481 0.3679 0.1695 -0.0851 1270. (0.00036) RY*( 7) C 91 s( 0.15%)p99.99( 25.56%)d99.99( 74.29%) 0.0000 -0.0010 -0.0189 0.0340 0.0017 0.0070 0.0720 -0.0116 0.0805 0.4751 -0.0009 -0.0800 -0.1077 -0.0663 0.0589 -0.1658 -0.1727 -0.4016 0.3367 0.2270 0.3529 -0.0613 0.4725 1271. (0.00026) RY*( 8) C 91 s( 0.13%)p 7.84( 1.04%)d99.99( 98.83%) 0.0000 0.0141 0.0098 0.0321 0.0131 -0.0551 -0.0620 0.0084 -0.0187 0.0231 -0.0022 -0.0349 -0.0344 -0.2639 -0.1125 0.5687 0.3476 0.0305 0.1034 0.3110 -0.0263 0.5677 0.1745 1272. (0.00025) RY*( 9) C 91 s( 0.04%)p99.99( 5.84%)d99.99( 94.12%) 0.0000 0.0136 -0.0034 0.0133 -0.0058 0.0277 0.1085 0.0133 -0.0063 -0.2125 -0.0072 0.0177 0.0110 0.0004 -0.0038 -0.2157 0.0001 0.3816 0.1765 0.7751 0.2061 -0.1606 -0.2211 1273. (0.00013) RY*(10) C 91 s( 3.53%)p 2.12( 7.48%)d25.22( 88.99%) 0.0000 0.0136 0.1858 -0.0240 -0.0031 0.0644 -0.0802 -0.0015 -0.0235 0.0590 0.0067 -0.1807 0.1658 -0.2590 0.0712 0.4526 0.0306 0.0080 -0.4197 0.0330 0.4130 -0.5138 0.0120 1274. (0.00010) RY*(11) C 91 s( 0.79%)p20.00( 15.74%)d99.99( 83.47%) 1275. (0.00010) RY*(12) C 91 s( 4.16%)p 1.66( 6.92%)d21.36( 88.92%) 1276. (0.00006) RY*(13) C 91 s( 0.10%)p47.22( 4.90%)d99.99( 94.99%) 1277. (0.00006) RY*(14) C 91 s( 0.54%)p99.29( 53.35%)d85.82( 46.11%) 1278. (0.00003) RY*(15) C 91 s( 0.61%)p99.99( 80.99%)d30.18( 18.40%) 1279. (0.00001) RY*(16) C 91 s( 0.23%)p99.99( 93.07%)d28.81( 6.70%) 1280. (0.00001) RY*(17) C 91 s( 95.49%)p 0.01( 0.98%)d 0.04( 3.54%) 1281. (0.00001) RY*(18) C 91 s( 0.04%)p10.72( 0.41%)d99.99( 99.56%) 1282. (0.00607) RY*( 1) C 92 s( 1.02%)p93.58( 95.85%)d 3.05( 3.12%) 0.0000 0.0033 0.1011 -0.0031 -0.0101 -0.3057 0.0252 -0.0247 -0.6053 0.0295 0.0141 0.7040 -0.0265 -0.0304 0.0011 0.0564 -0.0253 0.0398 -0.0225 0.1251 -0.0525 0.0766 0.0101 1283. (0.00306) RY*( 2) C 92 s( 0.10%)p99.99( 97.81%)d21.43( 2.09%) 0.0000 -0.0097 0.0285 -0.0084 -0.0064 0.9361 0.0998 0.0026 -0.1288 0.0091 -0.0038 0.2728 0.0279 -0.0014 0.0446 0.0951 -0.0078 0.0075 0.0092 -0.0105 0.0113 0.0971 -0.0037 1284. (0.00179) RY*( 3) C 92 s( 4.77%)p17.37( 82.90%)d 2.58( 12.33%) 0.0000 -0.0171 0.2177 0.0048 -0.0051 0.0851 -0.0031 -0.0089 -0.6761 0.1133 0.0105 -0.5895 -0.0642 -0.0873 0.0570 -0.1520 0.0815 0.2447 -0.0223 0.0389 0.0159 -0.0062 -0.1432 1285. (0.00064) RY*( 4) C 92 s( 0.13%)p99.99( 13.93%)d99.99( 85.94%) 0.0000 -0.0033 0.0206 0.0299 -0.0066 0.0158 0.1860 0.0016 -0.0660 0.0193 0.0141 -0.1643 -0.2692 -0.0210 0.0473 0.2408 -0.4680 -0.1043 -0.1370 0.3715 0.0592 -0.1151 0.6287 1286. (0.00063) RY*( 5) C 92 s( 82.08%)p 0.13( 10.51%)d 0.09( 7.41%) 0.0000 0.0025 0.9059 -0.0151 -0.0059 -0.0140 -0.0301 -0.0137 0.2659 0.1476 0.0018 0.1052 0.0136 -0.0205 0.1193 -0.0864 0.0002 0.0095 -0.1252 0.0088 0.1855 -0.0414 0.0046 1287. (0.00044) RY*( 6) C 92 s( 0.98%)p 4.13( 4.06%)d96.53( 94.95%) 0.0000 -0.0008 0.0991 0.0033 0.0174 -0.0593 -0.1473 -0.0050 -0.0012 0.0107 0.0041 -0.0802 -0.0923 0.2639 -0.2534 0.5284 -0.2384 0.3139 -0.0969 -0.3884 0.0142 0.4690 -0.0262 1288. (0.00030) RY*( 7) C 92 s( 0.82%)p32.98( 27.08%)d87.79( 72.10%) 0.0000 -0.0040 0.0886 0.0184 -0.0076 0.0500 -0.1414 0.0164 -0.1119 -0.2445 0.0031 -0.0023 -0.4191 0.6311 -0.0184 -0.1834 -0.2089 -0.3691 0.0915 -0.0302 -0.0162 -0.1721 -0.2639 1289. (0.00028) RY*( 8) C 92 s( 0.75%)p23.42( 17.55%)d99.99( 81.70%) 0.0000 -0.0020 0.0844 -0.0192 0.0096 -0.0178 -0.0924 0.0004 -0.0023 -0.0997 -0.0041 0.0124 -0.3956 -0.4318 0.3933 0.0449 -0.0885 -0.1065 0.4097 -0.4337 -0.2938 0.0485 0.1002 1290. (0.00022) RY*( 9) C 92 s( 1.83%)p 8.99( 16.42%)d44.76( 81.75%) 0.0000 -0.0005 0.1351 -0.0005 -0.0008 0.0382 0.3362 -0.0040 0.0273 -0.1164 -0.0071 0.0383 -0.1842 -0.2226 -0.7093 -0.2054 -0.0509 0.0653 -0.1143 -0.1971 -0.3416 -0.2168 0.0145 1291. (0.00019) RY*(10) C 92 s( 1.18%)p11.22( 13.25%)d72.44( 85.56%) 0.0000 -0.0025 0.0970 0.0489 0.0060 -0.0510 0.2407 0.0156 -0.1602 -0.0801 0.0150 -0.1496 0.1304 -0.1027 -0.0489 0.3144 0.2962 -0.7349 -0.2324 -0.1519 0.0331 0.1931 -0.0237 1292. (0.00012) RY*(11) C 92 s( 0.49%)p99.99( 55.32%)d90.53( 44.19%) 0.0000 0.0005 0.0699 -0.0012 -0.0021 -0.0881 0.7094 0.0007 0.0203 -0.0601 -0.0029 -0.0267 0.1934 0.3943 0.3268 0.1029 0.0637 0.2164 0.1679 -0.1301 -0.2476 -0.1063 0.0198 1293. (0.00011) RY*(12) C 92 s( 0.37%)p58.48( 21.67%)d99.99( 77.96%) 0.0000 0.0004 0.0514 -0.0326 0.0017 -0.0326 0.2217 -0.0111 0.0159 -0.3964 -0.0009 -0.0188 -0.0928 -0.0007 -0.1495 -0.3254 0.1255 0.0410 0.3614 0.1254 0.3857 0.5435 0.2084 1294. (0.00006) RY*(13) C 92 s( 13.18%)p 3.27( 43.07%)d 3.32( 43.75%) 1295. (0.00003) RY*(14) C 92 s( 1.49%)p28.21( 42.12%)d37.76( 56.39%) 1296. (0.00002) RY*(15) C 92 s( 0.57%)p 9.44( 5.39%)d99.99( 94.04%) 1297. (0.00002) RY*(16) C 92 s( 0.13%)p99.99( 15.36%)d99.99( 84.51%) 1298. (0.00002) RY*(17) C 92 s( 0.06%)p99.99( 30.46%)d99.99( 69.48%) 1299. (0.00000) RY*(18) C 92 s( 90.04%)p 0.08( 7.46%)d 0.03( 2.51%) 1300. (0.00655) RY*( 1) H 93 s( 99.88%)p 0.00( 0.12%) 0.0014 0.9994 -0.0002 -0.0268 -0.0214 -0.0046 1301. (0.00024) RY*( 2) H 93 s( 58.38%)p 0.71( 41.62%) -0.0004 0.0178 0.7639 0.5988 0.0208 0.2392 1302. (0.00019) RY*( 3) H 93 s( 40.69%)p 1.46( 59.31%) -0.0028 -0.0180 0.6376 -0.6541 0.0578 -0.4023 1303. (0.00013) RY*( 4) H 93 s( 0.53%)p99.99( 99.47%) 0.0045 -0.0036 0.0724 -0.4464 0.1997 0.8693 1304. (0.00008) RY*( 5) H 93 s( 0.54%)p99.99( 99.46%) 1305. (0.00292) RY*( 1) C 94 s( 2.28%)p39.38( 89.88%)d 3.43( 7.83%) 0.0000 -0.0026 0.1510 0.0017 0.0046 0.2611 -0.0162 0.0009 0.0047 -0.0014 -0.0191 0.9110 -0.0020 -0.0080 -0.0073 0.2414 0.0578 0.0060 -0.0233 0.1092 0.0046 -0.0610 0.0193 1306. (0.00231) RY*( 2) C 94 s( 6.57%)p13.39( 87.91%)d 0.84( 5.52%) 0.0000 0.0085 0.2561 0.0039 0.0024 0.2277 -0.0406 0.0114 -0.9009 -0.0255 0.0039 -0.1140 0.0137 -0.1491 -0.1060 -0.0173 0.0173 0.1053 0.0251 0.0713 0.0018 -0.0254 0.0610 1307. (0.00074) RY*( 3) C 94 s( 40.21%)p 1.40( 56.47%)d 0.08( 3.32%) 0.0000 0.0120 0.6336 -0.0226 0.0160 0.5998 0.0365 0.0004 0.3541 0.0521 0.0020 -0.2711 -0.0412 -0.0214 0.1380 -0.0486 0.0025 -0.0045 -0.0277 -0.0079 0.0327 -0.0873 0.0422 1308. (0.00026) RY*( 4) C 94 s( 7.49%)p 1.51( 11.28%)d10.85( 81.23%) 0.0000 -0.0033 0.2728 -0.0218 0.0041 -0.2263 0.1919 0.0022 -0.0247 0.1301 -0.0038 -0.0701 -0.0478 0.6413 -0.3375 0.2318 -0.2288 0.0715 -0.1754 0.3032 -0.1902 -0.1152 0.0614 1309. (0.00018) RY*( 5) C 94 s( 1.11%)p23.51( 26.05%)d65.75( 72.85%) 0.0000 -0.0028 0.0987 -0.0366 0.0088 -0.2333 0.3808 -0.0195 -0.0936 0.2012 -0.0055 0.0447 -0.0963 -0.1129 0.3173 -0.1408 0.1048 -0.5366 0.1921 0.1740 -0.0523 -0.4347 0.1933 1310. (0.00016) RY*( 6) C 94 s( 2.48%)p 5.77( 14.32%)d33.54( 83.20%) 0.0000 -0.0053 0.1470 0.0564 -0.0162 -0.1859 -0.2804 -0.0050 0.0097 -0.0894 -0.0079 -0.1137 0.0930 -0.2350 0.1193 0.6783 -0.4033 -0.2002 0.0820 -0.1982 0.0504 -0.0678 0.2160 1311. (0.00012) RY*( 7) C 94 s( 31.34%)p 1.15( 36.03%)d 1.04( 32.63%) 0.0000 -0.0143 0.5587 -0.0329 -0.0140 -0.5259 0.2396 0.0039 -0.0114 -0.0490 0.0101 0.1446 -0.0502 -0.1313 0.0881 -0.1094 0.0893 0.1952 -0.0636 -0.3310 0.1351 0.2956 -0.1551 1312. (0.00008) RY*( 8) C 94 s( 1.93%)p11.67( 22.46%)d39.27( 75.61%) 1313. (0.00005) RY*( 9) C 94 s( 6.31%)p 4.68( 29.52%)d10.18( 64.17%) 1314. (0.00003) RY*(10) C 94 s( 0.11%)p99.99( 31.14%)d99.99( 68.75%) 1315. (0.00001) RY*(11) C 94 s( 0.07%)p99.99( 99.47%)d 6.81( 0.46%) 1316. (0.00001) RY*(12) C 94 s( 1.06%)p13.11( 13.87%)d80.41( 85.07%) 1317. (0.00001) RY*(13) C 94 s( 0.02%)p99.99( 66.80%)d99.99( 33.18%) 1318. (0.00000) RY*(14) C 94 s( 0.00%)p 1.00( 1.37%)d71.88( 98.63%) 1319. (0.00000) RY*(15) C 94 s( 98.49%)p 0.01( 0.86%)d 0.01( 0.65%) 1320. (0.00000) RY*(16) C 94 s( 0.03%)p29.70( 0.96%)d99.99( 99.01%) 1321. (0.00001) RY*(17) C 94 s( 0.32%)p26.60( 8.48%)d99.99( 91.20%) 1322. (0.00000) RY*(18) C 94 s( 0.23%)p14.64( 3.41%)d99.99( 96.35%) 1323. (0.00162) RY*( 1) H 95 s( 97.35%)p 0.03( 2.65%) -0.0036 0.9867 0.0009 -0.1240 -0.0786 0.0699 1324. (0.00022) RY*( 2) H 95 s( 58.64%)p 0.71( 41.36%) 0.0002 -0.0347 0.7650 -0.5204 0.0628 -0.3726 1325. (0.00015) RY*( 3) H 95 s( 34.97%)p 1.86( 65.03%) 0.0004 0.0804 0.5858 0.7866 -0.1639 0.0690 1326. (0.00012) RY*( 4) H 95 s( 6.72%)p13.88( 93.28%) 0.0011 -0.0434 0.2556 -0.1636 0.4581 0.8344 1327. (0.00002) RY*( 5) H 95 s( 2.35%)p41.63( 97.65%) 1328. (0.00171) RY*( 1) H 96 s( 97.99%)p 0.02( 2.01%) -0.0029 0.9899 0.0021 -0.0957 0.0189 0.1027 1329. (0.00022) RY*( 2) H 96 s( 41.79%)p 1.39( 58.21%) -0.0001 -0.0353 0.6455 -0.6885 0.0527 -0.3245 1330. (0.00013) RY*( 3) H 96 s( 32.23%)p 2.10( 67.77%) -0.0001 -0.0306 0.5669 0.2166 -0.5384 0.5838 1331. (0.00009) RY*( 4) H 96 s( 26.61%)p 2.76( 73.39%) 1332. (0.00003) RY*( 5) H 96 s( 1.40%)p70.39( 98.60%) 1333. (0.00205) RY*( 1) H 97 s( 98.21%)p 0.02( 1.79%) -0.0014 0.9910 -0.0032 -0.1335 -0.0054 -0.0039 1334. (0.00023) RY*( 2) H 97 s( 86.53%)p 0.16( 13.47%) 0.0005 0.0415 0.9293 0.2959 -0.1199 -0.1809 1335. (0.00014) RY*( 3) H 97 s( 1.23%)p80.30( 98.77%) -0.0009 0.0246 0.1081 0.1363 0.9747 0.1380 1336. (0.00011) RY*( 4) H 97 s( 8.16%)p11.26( 91.84%) 0.0056 -0.0480 0.2815 -0.3845 -0.0997 0.8721 1337. (0.00004) RY*( 5) H 97 s( 5.88%)p16.01( 94.12%) 1338. (0.00280) RY*( 1) C 98 s( 0.33%)p99.99( 91.89%)d23.59( 7.78%) 0.0000 -0.0071 0.0570 0.0010 0.0095 -0.8765 -0.0215 0.0017 0.0641 -0.0069 -0.0168 0.3814 0.0149 -0.0408 0.0201 0.1379 -0.0020 -0.0139 0.0053 0.1472 0.0538 -0.1750 -0.0358 1339. (0.00208) RY*( 2) C 98 s( 2.12%)p43.75( 92.83%)d 2.38( 5.04%) 0.0000 0.0039 0.1456 0.0002 0.0002 -0.1565 0.0021 0.0093 -0.9211 -0.0065 -0.0009 -0.2351 -0.0044 0.0364 0.0301 0.0629 -0.0356 0.1783 0.0887 0.0101 0.0437 0.0363 0.0011 1340. (0.00083) RY*( 3) C 98 s( 71.15%)p 0.38( 27.28%)d 0.02( 1.57%) 0.0000 0.0093 0.8434 -0.0034 -0.0064 -0.1002 -0.0280 0.0028 0.2695 0.0189 -0.0064 -0.4267 -0.0826 -0.0104 -0.0259 0.0663 -0.0081 0.0398 -0.0483 0.0501 0.0224 0.0448 -0.0388 1341. (0.00041) RY*( 4) C 98 s( 22.03%)p 3.06( 67.49%)d 0.48( 10.49%) 0.0000 -0.0174 0.4690 -0.0005 0.0096 0.3354 -0.0774 -0.0070 -0.1908 0.0136 0.0106 0.7131 -0.1049 0.1349 -0.0361 -0.1655 0.0855 -0.1161 0.1001 0.1164 -0.0112 -0.0879 -0.0759 1342. (0.00023) RY*( 5) C 98 s( 0.10%)p75.69( 7.72%)d99.99( 92.18%) 0.0000 -0.0017 -0.0149 0.0282 -0.0026 -0.1103 0.0803 0.0011 0.0839 -0.1502 0.0066 0.0548 0.1611 0.5488 -0.3900 -0.2455 0.1302 0.4695 -0.1024 -0.2179 0.1561 0.2072 -0.2136 1343. (0.00018) RY*( 6) C 98 s( 0.09%)p67.31( 6.24%)d99.99( 93.67%) 0.0000 0.0026 -0.0145 0.0266 -0.0040 -0.0161 -0.0947 0.0188 0.0578 -0.1772 -0.0082 0.0610 0.1193 -0.3953 0.3115 -0.1611 0.1999 0.2568 0.2610 0.2524 -0.0296 0.5261 -0.3770 1344. (0.00015) RY*( 7) C 98 s( 0.63%)p34.64( 21.66%)d99.99( 77.72%) 0.0000 -0.0010 0.0207 0.0763 0.0192 0.1257 0.1256 0.0116 0.0639 -0.2383 0.0042 -0.0483 0.3483 0.0109 0.0870 -0.0971 -0.0609 0.4467 0.0602 0.4690 -0.1718 -0.4913 0.2496 1345. (0.00010) RY*( 8) C 98 s( 0.85%)p14.71( 12.48%)d99.99( 86.67%) 0.0000 -0.0055 0.0882 -0.0259 0.0052 -0.0816 0.1801 0.0039 -0.0550 0.2638 0.0242 0.0190 0.1101 -0.4003 0.1579 -0.5795 0.2063 0.1037 -0.3007 -0.3732 0.0876 -0.2288 0.0516 1346. (0.00007) RY*( 9) C 98 s( 2.51%)p18.58( 46.69%)d20.21( 50.80%) 1347. (0.00005) RY*(10) C 98 s( 0.57%)p22.08( 12.67%)d99.99( 86.76%) 1348. (0.00002) RY*(11) C 98 s( 0.36%)p69.50( 24.85%)d99.99( 74.80%) 1349. (0.00001) RY*(12) C 98 s( 0.03%)p99.99( 82.86%)d99.99( 17.11%) 1350. (0.00000) RY*(13) C 98 s( 96.67%)p 0.03( 2.69%)d 0.01( 0.64%) 1351. (0.00000) RY*(14) C 98 s( 0.27%)p99.99( 73.79%)d94.45( 25.94%) 1352. (0.00000) RY*(15) C 98 s( 0.01%)p99.99( 1.44%)d99.99( 98.54%) 1353. (0.00000) RY*(16) C 98 s( 1.16%)p 5.20( 6.05%)d79.69( 92.78%) 1354. (0.00000) RY*(17) C 98 s( 0.04%)p99.99( 5.74%)d99.99( 94.22%) 1355. (0.00000) RY*(18) C 98 s( 1.13%)p14.15( 15.92%)d73.70( 82.95%) 1356. (0.00151) RY*( 1) H 99 s( 99.22%)p 0.01( 0.78%) -0.0006 0.9961 -0.0040 0.0437 -0.0059 0.0763 1357. (0.00023) RY*( 2) H 99 s( 73.23%)p 0.37( 26.77%) -0.0008 0.0444 0.8546 -0.0583 0.1575 -0.4894 1358. (0.00016) RY*( 3) H 99 s( 0.61%)p99.99( 99.39%) -0.0010 0.0042 0.0779 0.1129 -0.9722 -0.1899 1359. (0.00010) RY*( 4) H 99 s( 17.96%)p 4.57( 82.04%) 0.0091 -0.0342 0.4223 -0.4956 -0.1683 0.7393 1360. (0.00006) RY*( 5) H 99 s( 9.00%)p10.11( 91.00%) 1361. (0.00157) RY*( 1) H 100 s( 97.89%)p 0.02( 2.11%) -0.0030 0.9894 -0.0010 0.0318 0.0332 0.1380 1362. (0.00021) RY*( 2) H 100 s( 87.78%)p 0.14( 12.22%) 0.0009 0.0039 0.9369 0.3141 0.0985 -0.1174 1363. (0.00014) RY*( 3) H 100 s( 6.68%)p13.98( 93.32%) 0.0022 0.0899 0.2423 -0.8636 -0.0646 -0.4282 1364. (0.00011) RY*( 4) H 100 s( 5.55%)p17.01( 94.45%) -0.0004 -0.0617 0.2274 -0.2179 -0.6812 0.6580 1365. (0.00002) RY*( 5) H 100 s( 2.13%)p46.01( 97.87%) 1366. (0.00151) RY*( 1) H 101 s( 96.99%)p 0.03( 3.01%) -0.0038 0.9848 -0.0022 0.0614 -0.0655 0.1484 1367. (0.00021) RY*( 2) H 101 s( 93.41%)p 0.07( 6.59%) 0.0010 0.0363 0.9658 0.0305 -0.0304 -0.2530 1368. (0.00013) RY*( 3) H 101 s( 4.25%)p22.53( 95.75%) -0.0002 -0.1264 0.1629 0.6864 0.2290 0.6587 1369. (0.00011) RY*( 4) H 101 s( 3.02%)p32.15( 96.98%) 0.0005 -0.0044 0.1736 -0.6969 0.4590 0.5229 1370. (0.00002) RY*( 5) H 101 s( 2.36%)p41.46( 97.64%) 1371. (0.00605) RY*( 1) C 102 s( 2.91%)p32.14( 93.49%)d 1.24( 3.60%) 0.0000 -0.0015 0.1705 -0.0034 -0.0009 -0.0213 -0.0100 -0.0318 -0.9212 0.0511 -0.0058 -0.2865 0.0014 -0.0700 0.0341 0.0345 0.0016 0.0515 0.0313 0.1381 -0.0522 0.0552 0.0162 1372. (0.00253) RY*( 2) C 102 s( 0.41%)p99.99( 94.97%)d11.23( 4.62%) 0.0000 0.0012 0.0638 -0.0061 0.0039 -0.8299 -0.1148 -0.0018 0.1790 0.0186 0.0073 -0.4612 -0.0512 0.1255 -0.0299 0.1432 -0.0170 0.0131 0.0387 -0.0019 -0.0142 0.0761 0.0331 1373. (0.00170) RY*( 3) C 102 s( 3.79%)p22.42( 85.06%)d 2.94( 11.15%) 0.0000 -0.0216 0.1936 0.0009 -0.0030 -0.4579 0.0411 -0.0137 -0.1727 0.1360 -0.0048 0.7684 -0.0164 -0.0056 0.0209 -0.1022 0.0605 -0.0862 -0.0642 0.0635 0.0134 0.2549 -0.1271 1374. (0.00065) RY*( 4) C 102 s( 2.22%)p 6.63( 14.71%)d37.42( 83.07%) 0.0000 0.0044 0.1457 -0.0307 -0.0016 0.0339 0.0959 0.0023 -0.0086 -0.1705 0.0132 -0.1917 -0.2659 0.1911 0.0579 -0.3669 0.3486 -0.0204 -0.6121 -0.1670 0.1633 0.0648 -0.3175 1375. (0.00062) RY*( 5) C 102 s( 72.04%)p 0.20( 14.11%)d 0.19( 13.85%) 0.0000 0.0037 0.8487 -0.0109 -0.0048 0.1747 0.1811 -0.0149 0.2112 0.1214 0.0011 -0.1347 -0.0013 -0.0904 -0.1485 -0.0079 -0.0102 -0.0614 0.2757 -0.0027 0.0453 0.1394 -0.0824 1376. (0.00040) RY*( 6) C 102 s( 1.17%)p 7.09( 8.26%)d77.73( 90.57%) 0.0000 -0.0023 0.1073 0.0113 0.0145 -0.0985 -0.2206 -0.0040 0.0376 0.1332 0.0041 0.0206 -0.0667 -0.0301 -0.0807 -0.5470 0.2141 -0.0514 0.1093 0.3510 -0.2135 -0.5883 0.1543 1377. (0.00032) RY*( 7) C 102 s( 1.32%)p16.34( 21.51%)d58.63( 77.18%) 0.0000 -0.0010 0.1147 -0.0014 -0.0064 0.0318 0.1483 0.0014 -0.0100 -0.0684 -0.0027 0.0424 0.4306 0.3792 -0.3855 0.0580 0.1182 0.1075 -0.3220 -0.0228 -0.4203 0.0938 0.4011 1378. (0.00026) RY*( 8) C 102 s( 0.78%)p19.55( 15.22%)d99.99( 84.00%) 0.0000 -0.0008 0.0832 -0.0293 -0.0052 -0.0035 -0.0285 -0.0005 -0.0006 -0.0518 0.0120 -0.0737 0.3782 0.2732 0.4683 -0.4244 -0.4877 -0.2595 -0.0233 -0.0142 0.1519 0.1047 0.1614 1379. (0.00022) RY*( 9) C 102 s( 2.04%)p 8.72( 17.75%)d39.40( 80.22%) 0.0000 -0.0047 0.1379 0.0364 0.0158 -0.1442 -0.1318 0.0089 -0.0743 -0.0263 -0.0057 0.0504 0.3608 -0.3985 -0.0439 -0.0701 -0.0962 0.2246 -0.1166 -0.6537 0.0184 -0.3560 -0.0934 1380. (0.00016) RY*(10) C 102 s( 4.79%)p 3.29( 15.75%)d16.59( 79.46%) 0.0000 -0.0025 0.2099 0.0617 -0.0036 0.0981 -0.3329 0.0116 -0.0345 0.1433 -0.0143 0.1202 -0.0233 0.5409 0.4166 0.3844 0.2194 0.0661 0.0878 -0.1741 -0.0671 -0.2738 -0.1035 1381. (0.00011) RY*(11) C 102 s( 0.50%)p31.59( 15.84%)d99.99( 83.66%) 0.0000 0.0027 0.0631 -0.0321 0.0022 0.0775 -0.3027 -0.0023 0.0471 0.1805 0.0036 -0.0552 -0.1513 -0.3024 0.0831 0.1705 -0.1053 -0.5994 -0.3355 -0.0860 -0.4558 0.0942 0.0468 1382. (0.00011) RY*(12) C 102 s( 0.99%)p55.92( 55.35%)d44.12( 43.66%) 0.0000 0.0013 0.0899 -0.0426 -0.0059 0.1173 -0.7284 -0.0090 0.0441 -0.0730 0.0063 0.0260 -0.0313 -0.0980 -0.0976 -0.1135 0.1049 0.2800 -0.0374 0.0324 0.2493 0.3987 0.3028 1383. (0.00005) RY*(13) C 102 s( 13.29%)p 2.73( 36.22%)d 3.80( 50.48%) 1384. (0.00003) RY*(14) C 102 s( 7.67%)p 5.12( 39.28%)d 6.92( 53.05%) 1385. (0.00003) RY*(15) C 102 s( 0.80%)p42.58( 33.93%)d81.93( 65.28%) 1386. (0.00001) RY*(16) C 102 s( 2.61%)p 4.34( 11.33%)d33.02( 86.07%) 1387. (0.00000) RY*(17) C 102 s( 81.59%)p 0.19( 15.49%)d 0.04( 2.92%) 1388. (0.00001) RY*(18) C 102 s( 1.10%)p10.90( 11.96%)d79.23( 86.94%) 1389. (0.00420) RY*( 1) H 103 s( 99.82%)p 0.00( 0.18%) -0.0021 0.9991 0.0008 -0.0038 0.0420 -0.0053 1390. (0.00031) RY*( 2) H 103 s( 80.33%)p 0.24( 19.67%) -0.0035 -0.0104 0.8962 -0.3200 0.2269 0.2069 1391. (0.00021) RY*( 3) H 103 s( 7.74%)p11.92( 92.26%) -0.0004 0.0130 0.2779 0.8725 -0.1893 0.3542 1392. (0.00013) RY*( 4) H 103 s( 11.97%)p 7.35( 88.03%) 0.0047 0.0131 0.3457 0.1391 -0.4090 -0.8329 1393. (0.00008) RY*( 5) H 103 s( 0.16%)p99.99( 99.84%) 1394. (0.00296) RY*( 1) C 104 s( 0.80%)p99.99( 91.66%)d 9.42( 7.54%) 0.0000 -0.0056 0.0892 0.0045 -0.0045 -0.2772 0.0120 0.0070 -0.0964 -0.0146 0.0178 -0.9109 0.0017 -0.0286 0.0236 0.2122 0.0487 -0.0895 0.0026 0.1147 0.0123 -0.0726 0.0086 1395. (0.00186) RY*( 2) C 104 s( 7.04%)p12.04( 84.73%)d 1.17( 8.24%) 0.0000 0.0083 0.2651 0.0057 0.0020 -0.6068 0.0144 0.0127 -0.6221 -0.0208 -0.0048 0.3019 -0.0084 -0.0092 0.0990 -0.0465 -0.0031 -0.0458 0.0078 0.2417 0.0712 0.0416 0.0540 1396. (0.00067) RY*( 3) C 104 s( 33.91%)p 1.81( 61.54%)d 0.13( 4.54%) 0.0000 0.0133 0.5817 -0.0252 -0.0152 -0.4046 0.0105 0.0046 0.6542 0.0956 -0.0015 0.1189 0.0099 -0.1455 -0.0185 0.0209 0.0180 -0.0632 0.0675 -0.0925 -0.0326 -0.0681 -0.0193 1397. (0.00024) RY*( 4) C 104 s( 3.03%)p 7.38( 22.36%)d24.63( 74.61%) 0.0000 -0.0063 0.1700 -0.0366 0.0006 0.2911 -0.1489 -0.0020 -0.2120 0.2554 0.0045 0.0773 0.0236 -0.4481 0.2595 0.4495 -0.2782 -0.2689 0.2828 -0.1425 0.0034 -0.1598 0.0171 1398. (0.00021) RY*( 5) C 104 s( 26.05%)p 1.14( 29.80%)d 1.69( 44.15%) 0.0000 -0.0084 0.5094 -0.0315 -0.0068 0.3393 -0.3002 -0.0115 -0.2302 0.1682 0.0010 -0.0637 0.0851 0.2130 -0.2361 -0.1835 0.2454 0.1591 -0.1092 0.0112 -0.2002 -0.3781 0.1617 1399. (0.00016) RY*( 6) C 104 s( 0.97%)p10.25( 9.94%)d91.82( 89.09%) 0.0000 -0.0018 0.0862 -0.0477 -0.0061 0.0483 -0.2290 0.0072 -0.0939 0.1358 -0.0086 -0.1305 -0.0155 -0.4768 0.2504 -0.3977 0.2824 0.1763 -0.2078 -0.2278 0.2020 0.3238 -0.3018 1400. (0.00013) RY*( 7) C 104 s( 21.78%)p 0.87( 18.91%)d 2.72( 59.31%) 0.0000 -0.0097 0.4657 0.0286 0.0227 0.3097 0.1834 -0.0001 -0.0909 -0.2205 -0.0088 -0.0458 -0.0062 0.3372 -0.0189 0.1101 -0.0122 -0.2504 0.0953 -0.0350 0.1056 0.5832 -0.2061 1401. (0.00009) RY*( 8) C 104 s( 0.53%)p46.39( 24.67%)d99.99( 74.80%) 1402. (0.00006) RY*( 9) C 104 s( 3.09%)p12.48( 38.60%)d18.85( 58.31%) 1403. (0.00003) RY*(10) C 104 s( 0.15%)p99.99( 26.89%)d99.99( 72.96%) 1404. (0.00001) RY*(11) C 104 s( 0.00%)p 1.00( 30.47%)d 2.28( 69.53%) 1405. (0.00001) RY*(12) C 104 s( 1.01%)p 6.63( 6.70%)d91.33( 92.29%) 1406. (0.00001) RY*(13) C 104 s( 4.64%)p10.42( 48.40%)d10.11( 46.96%) 1407. (0.00000) RY*(14) C 104 s( 0.05%)p22.71( 1.12%)d99.99( 98.83%) 1408. (0.00001) RY*(15) C 104 s( 0.35%)p99.99( 91.16%)d24.57( 8.49%) 1409. (0.00000) RY*(16) C 104 s( 96.46%)p 0.03( 2.70%)d 0.01( 0.84%) 1410. (0.00001) RY*(17) C 104 s( 0.17%)p57.18( 9.80%)d99.99( 90.03%) 1411. (0.00000) RY*(18) C 104 s( 0.00%)p 1.00( 0.85%)d99.99( 99.14%) 1412. (0.00158) RY*( 1) H 105 s( 97.56%)p 0.03( 2.44%) -0.0038 0.9877 -0.0010 0.0753 -0.1254 -0.0547 1413. (0.00024) RY*( 2) H 105 s( 63.67%)p 0.57( 36.33%) -0.0002 -0.0039 0.7979 0.3381 -0.0505 0.4964 1414. (0.00017) RY*( 3) H 105 s( 13.33%)p 6.50( 86.67%) 0.0002 0.0888 0.3542 -0.9215 0.1124 0.0703 1415. (0.00011) RY*( 4) H 105 s( 23.10%)p 3.33( 76.90%) 0.0019 -0.0339 0.4794 0.1386 0.1814 -0.8467 1416. (0.00002) RY*( 5) H 105 s( 2.36%)p41.36( 97.64%) 1417. (0.00156) RY*( 1) H 106 s( 97.45%)p 0.03( 2.55%) -0.0026 0.9872 0.0020 0.1077 -0.0532 -0.1054 1418. (0.00023) RY*( 2) H 106 s( 51.73%)p 0.93( 48.27%) 0.0011 -0.0368 0.7183 0.6002 -0.1032 0.3344 1419. (0.00011) RY*( 3) H 106 s( 2.60%)p37.46( 97.40%) -0.0013 -0.0824 0.1386 -0.0932 -0.8907 -0.4146 1420. (0.00010) RY*( 4) H 106 s( 45.52%)p 1.20( 54.48%) 0.0013 0.0735 0.6707 -0.6923 0.2259 -0.1202 1421. (0.00003) RY*( 5) H 106 s( 2.72%)p35.70( 97.28%) 1422. (0.00213) RY*( 1) H 107 s( 97.82%)p 0.02( 2.18%) -0.0020 0.9891 -0.0035 0.1335 -0.0574 0.0253 1423. (0.00027) RY*( 2) H 107 s( 91.86%)p 0.09( 8.14%) 0.0003 0.0378 0.9577 -0.2187 0.1370 0.1217 1424. (0.00015) RY*( 3) H 107 s( 0.07%)p99.99( 99.93%) -0.0002 0.0145 0.0221 0.3325 0.8064 -0.4884 1425. (0.00010) RY*( 4) H 107 s( 6.73%)p13.87( 93.27%) 0.0037 -0.0612 0.2520 0.3469 -0.5711 -0.6973 1426. (0.00004) RY*( 5) H 107 s( 3.54%)p27.27( 96.46%) 1427. (0.00270) RY*( 1) C 108 s( 2.05%)p43.75( 89.63%)d 4.06( 8.32%) 0.0000 -0.0004 0.1431 0.0015 -0.0059 0.7259 0.0028 0.0104 -0.4976 -0.0070 0.0120 -0.3483 0.0031 -0.0974 -0.0462 0.0678 0.0014 -0.0924 -0.0094 0.1785 0.0243 -0.1572 -0.0342 1428. (0.00198) RY*( 2) C 108 s( 9.10%)p 9.09( 82.72%)d 0.90( 8.18%) 0.0000 0.0094 0.3015 0.0012 0.0063 -0.1653 -0.0108 0.0100 -0.6087 -0.0358 -0.0089 0.6539 0.0122 -0.0701 -0.1055 0.0031 -0.0196 -0.0921 -0.0466 0.0873 -0.0063 0.2083 0.0603 1429. (0.00060) RY*( 3) C 108 s( 36.40%)p 1.63( 59.34%)d 0.12( 4.26%) 0.0000 0.0095 0.6022 -0.0361 0.0112 0.4254 0.0939 0.0013 0.5089 0.1087 0.0087 0.3547 0.0820 0.1010 0.0969 0.0082 0.0408 -0.0114 0.1332 -0.0341 0.0014 -0.0025 -0.0472 1430. (0.00023) RY*( 4) C 108 s( 7.56%)p 2.46( 18.56%)d 9.77( 73.88%) 0.0000 -0.0046 0.2741 -0.0210 0.0022 -0.2775 0.2038 0.0020 -0.0653 0.1597 0.0060 -0.1353 0.1377 0.3339 -0.1286 0.1150 0.0058 0.2972 -0.0952 0.4187 -0.3486 -0.4255 0.1492 1431. (0.00017) RY*( 5) C 108 s( 0.31%)p17.67( 5.40%)d99.99( 94.30%) 0.0000 -0.0032 0.0394 0.0386 -0.0197 -0.1454 -0.1414 -0.0007 0.0568 -0.0294 -0.0026 0.0647 -0.0645 -0.3842 0.1490 -0.0174 -0.0546 -0.4796 0.3590 0.0583 -0.0822 -0.5340 0.3401 1432. (0.00013) RY*( 6) C 108 s( 0.90%)p36.49( 32.99%)d73.10( 66.10%) 0.0000 -0.0028 0.0755 -0.0578 0.0054 -0.1589 0.3316 -0.0125 -0.1270 0.1898 0.0145 -0.1386 0.3506 0.0102 0.1180 0.6047 -0.2547 -0.1331 0.2208 -0.3022 0.2160 0.0426 -0.1013 1433. (0.00009) RY*( 7) C 108 s( 20.54%)p 1.41( 28.98%)d 2.46( 50.47%) 1434. (0.00005) RY*( 8) C 108 s( 3.10%)p 4.87( 15.09%)d26.40( 81.82%) 1435. (0.00003) RY*( 9) C 108 s( 8.19%)p 2.32( 19.00%)d 8.89( 72.81%) 1436. (0.00001) RY*(10) C 108 s( 0.27%)p15.75( 4.24%)d99.99( 95.49%) 1437. (0.00000) RY*(11) C 108 s( 0.55%)p99.99( 64.34%)d63.26( 35.10%) 1438. (0.00000) RY*(12) C 108 s( 0.29%)p 3.16( 0.91%)d99.99( 98.80%) 1439. (0.00001) RY*(13) C 108 s( 0.99%)p16.26( 16.12%)d83.63( 82.89%) 1440. (0.00001) RY*(14) C 108 s( 5.86%)p13.16( 77.16%)d 2.90( 16.98%) 1441. (0.00001) RY*(15) C 108 s( 8.45%)p 8.95( 75.66%)d 1.88( 15.88%) 1442. (0.00000) RY*(16) C 108 s( 0.17%)p13.68( 2.34%)d99.99( 97.49%) 1443. (0.00000) RY*(17) C 108 s( 95.24%)p 0.04( 4.27%)d 0.01( 0.48%) 1444. (0.00001) RY*(18) C 108 s( 0.06%)p64.21( 3.55%)d99.99( 96.39%) 1445. (0.00126) RY*( 1) H 109 s( 95.57%)p 0.05( 4.43%) -0.0019 0.9776 -0.0049 -0.1575 0.0122 -0.1392 1446. (0.00020) RY*( 2) H 109 s( 68.85%)p 0.45( 31.15%) -0.0029 0.0513 0.8282 -0.1755 -0.0877 0.5225 1447. (0.00012) RY*( 3) H 109 s( 1.62%)p60.62( 98.38%) -0.0018 0.0845 0.0953 0.4635 0.8654 0.1416 1448. (0.00009) RY*( 4) H 109 s( 30.33%)p 2.30( 69.67%) 1449. (0.00004) RY*( 5) H 109 s( 3.65%)p26.42( 96.35%) 1450. (0.00174) RY*( 1) H 110 s( 97.39%)p 0.03( 2.61%) -0.0031 0.9868 0.0009 -0.0622 -0.0145 -0.1485 1451. (0.00015) RY*( 2) H 110 s( 77.81%)p 0.29( 22.19%) 0.0005 -0.0328 0.8815 -0.1625 -0.4300 -0.1030 1452. (0.00013) RY*( 3) H 110 s( 3.39%)p28.46( 96.61%) 0.0027 0.1267 0.1337 0.8195 -0.1688 0.5158 1453. (0.00008) RY*( 4) H 110 s( 20.58%)p 3.86( 79.42%) 1454. (0.00002) RY*( 5) H 110 s( 0.86%)p99.99( 99.14%) 1455. (0.00188) RY*( 1) H 111 s( 96.71%)p 0.03( 3.29%) -0.0037 0.9834 0.0001 -0.1140 -0.0954 -0.1040 1456. (0.00018) RY*( 2) H 111 s( 95.54%)p 0.05( 4.46%) 0.0015 -0.0080 0.9774 -0.0936 0.1528 -0.1118 1457. (0.00013) RY*( 3) H 111 s( 0.31%)p99.99( 99.69%) 0.0007 0.0122 0.0546 0.8036 -0.2498 -0.5373 1458. (0.00010) RY*( 4) H 111 s( 4.54%)p21.05( 95.46%) 1459. (0.00002) RY*( 5) H 111 s( 2.93%)p33.16( 97.07%) 1460. (0.00288) RY*( 1) C 112 s( 2.31%)p38.79( 89.43%)d 3.59( 8.27%) 0.0000 -0.0021 0.1517 0.0051 0.0146 -0.5496 -0.0059 0.0079 0.0069 -0.0127 0.0089 -0.7691 0.0130 -0.0866 -0.0441 0.0092 0.0386 -0.1939 -0.0331 -0.0896 0.0189 0.1552 0.0224 1461. (0.00196) RY*( 2) C 112 s( 5.68%)p15.26( 86.76%)d 1.33( 7.55%) 0.0000 0.0093 0.2382 0.0041 0.0054 -0.4628 -0.0280 -0.0074 0.6974 -0.0060 -0.0093 0.4073 0.0150 0.0450 -0.0534 0.0510 0.1074 -0.0078 0.0426 -0.2239 -0.0603 -0.0278 -0.0073 1462. (0.00052) RY*( 3) C 112 s( 38.96%)p 1.44( 56.01%)d 0.13( 5.03%) 0.0000 0.0120 0.6228 -0.0389 0.0026 0.5615 0.1327 0.0142 0.3591 0.0972 -0.0111 -0.2915 -0.0598 0.0751 0.0551 -0.1423 -0.0148 -0.0173 -0.0394 -0.0069 0.1263 -0.0463 0.0345 1463. (0.00026) RY*( 4) C 112 s( 5.76%)p 3.00( 17.30%)d13.35( 76.94%) 0.0000 -0.0057 0.2389 -0.0230 0.0009 -0.1108 0.1894 0.0015 -0.1916 0.0958 0.0042 0.2314 -0.1593 0.1567 -0.0779 -0.3113 0.1330 -0.3445 0.1816 0.3277 -0.0533 0.4674 -0.3791 1464. (0.00018) RY*( 5) C 112 s( 0.76%)p13.49( 10.28%)d99.99( 88.95%) 0.0000 -0.0018 0.0872 0.0050 -0.0082 -0.1285 0.1665 0.0169 -0.0966 0.0432 0.0159 0.1359 -0.1683 -0.3210 0.2316 -0.1159 -0.0401 -0.5171 0.1647 0.1768 0.1067 -0.5082 0.3498 1465. (0.00016) RY*( 6) C 112 s( 0.36%)p57.47( 20.88%)d99.99( 78.76%) 0.0000 0.0015 -0.0020 0.0602 0.0059 0.2146 -0.2607 -0.0087 0.0874 -0.2108 0.0093 0.0361 0.2030 -0.5479 0.3558 0.2082 0.0552 -0.2359 0.2360 -0.1768 0.0730 0.3372 -0.2296 1466. (0.00011) RY*( 7) C 112 s( 21.62%)p 1.61( 34.76%)d 2.02( 43.63%) 0.0000 -0.0137 0.4620 -0.0505 -0.0101 -0.2236 0.1680 -0.0176 -0.3919 0.2698 -0.0014 0.1947 -0.0683 -0.2863 0.1906 0.1883 -0.1004 0.4348 -0.1403 -0.1556 0.1785 0.0868 -0.0049 1467. (0.00007) RY*( 8) C 112 s( 3.82%)p 6.95( 26.56%)d18.21( 69.62%) 1468. (0.00002) RY*( 9) C 112 s( 5.75%)p 0.63( 3.63%)d15.77( 90.62%) 1469. (0.00003) RY*(10) C 112 s( 5.73%)p 8.95( 51.31%)d 7.49( 42.95%) 1470. (0.00001) RY*(11) C 112 s( 5.02%)p16.48( 82.75%)d 2.44( 12.23%) 1471. (0.00001) RY*(12) C 112 s( 1.06%)p 5.12( 5.43%)d88.22( 93.51%) 1472. (0.00001) RY*(13) C 112 s( 4.37%)p19.82( 86.62%)d 2.06( 9.01%) 1473. (0.00001) RY*(14) C 112 s( 4.36%)p 1.28( 5.57%)d20.64( 90.07%) 1474. (0.00000) RY*(15) C 112 s( 94.17%)p 0.04( 3.52%)d 0.02( 2.32%) 1475. (0.00000) RY*(16) C 112 s( 0.10%)p96.13( 9.94%)d99.99( 89.96%) 1476. (0.00000) RY*(17) C 112 s( 0.17%)p35.11( 6.03%)d99.99( 93.80%) 1477. (0.00000) RY*(18) C 112 s( 0.03%)p99.99( 3.52%)d99.99( 96.45%) 1478. (0.00179) RY*( 1) H 113 s( 98.16%)p 0.02( 1.84%) -0.0028 0.9907 0.0022 -0.0747 -0.1111 -0.0227 1479. (0.00022) RY*( 2) H 113 s( 45.99%)p 1.17( 54.01%) 0.0003 -0.0363 0.6772 0.0688 -0.4706 0.5603 1480. (0.00012) RY*( 3) H 113 s( 20.42%)p 3.90( 79.58%) -0.0011 -0.0410 0.4500 -0.8236 0.2456 -0.2392 1481. (0.00009) RY*( 4) H 113 s( 34.12%)p 1.93( 65.88%) 1482. (0.00002) RY*( 5) H 113 s( 1.34%)p73.74( 98.66%) 1483. (0.00193) RY*( 1) H 114 s( 97.86%)p 0.02( 2.14%) -0.0017 0.9892 -0.0023 -0.0219 -0.1205 0.0799 1484. (0.00020) RY*( 2) H 114 s( 76.40%)p 0.31( 23.60%) 0.0005 0.0323 0.8735 -0.1235 0.4159 0.2186 1485. (0.00011) RY*( 3) H 114 s( 0.97%)p99.99( 99.03%) -0.0023 0.0719 0.0673 0.9296 0.2576 -0.2447 1486. (0.00011) RY*( 4) H 114 s( 19.33%)p 4.17( 80.67%) 0.0037 -0.0148 0.4394 -0.0518 -0.5761 -0.6871 1487. (0.00004) RY*( 5) H 114 s( 5.45%)p17.36( 94.55%) 1488. (0.00162) RY*( 1) H 115 s( 97.47%)p 0.03( 2.53%) -0.0038 0.9872 0.0007 -0.1298 -0.0694 0.0607 1489. (0.00023) RY*( 2) H 115 s( 63.42%)p 0.58( 36.58%) 0.0003 -0.0273 0.7959 0.1793 -0.2697 0.5109 1490. (0.00015) RY*( 3) H 115 s( 21.43%)p 3.67( 78.57%) 0.0002 0.0886 0.4543 0.0937 0.8295 -0.2981 1491. (0.00011) RY*( 4) H 115 s( 15.24%)p 5.56( 84.76%) 0.0012 -0.0196 0.3899 -0.2583 -0.4546 -0.7578 1492. (0.00002) RY*( 5) H 115 s( 2.47%)p39.41( 97.53%) 1493. (0.00291) RY*( 1) C 116 s( 0.62%)p99.99( 92.74%)d10.62( 6.63%) 0.0000 0.0009 0.0790 0.0014 0.0111 -0.5174 -0.0009 0.0107 -0.8027 -0.0038 0.0038 0.1227 0.0072 -0.0236 0.0254 -0.0774 -0.0454 -0.2037 -0.0505 -0.1066 -0.0304 0.0270 0.0007 1494. (0.00188) RY*( 2) C 116 s( 7.85%)p10.72( 84.16%)d 1.02( 7.99%) 0.0000 0.0101 0.2800 0.0009 0.0075 -0.4547 -0.0355 -0.0082 0.4289 0.0030 -0.0075 0.6702 0.0183 0.0750 0.0776 0.0128 -0.0580 0.0781 0.0258 -0.1299 -0.0279 0.1933 0.0544 1495. (0.00058) RY*( 3) C 116 s( 40.23%)p 1.39( 55.97%)d 0.09( 3.80%) 0.0000 0.0110 0.6335 -0.0301 0.0053 0.5765 0.1462 -0.0067 -0.2769 -0.0700 0.0145 0.3440 0.0766 -0.0760 -0.0528 0.0789 0.0759 0.0275 -0.0734 0.0519 0.0194 0.0104 -0.0900 1496. (0.00024) RY*( 4) C 116 s( 5.54%)p 2.59( 14.36%)d14.46( 80.10%) 0.0000 -0.0043 0.2340 -0.0249 0.0017 -0.1027 0.2080 0.0037 0.1888 -0.1223 0.0035 -0.1508 0.1281 -0.3122 0.1699 0.1868 -0.0977 -0.5317 0.2563 -0.1761 0.2749 -0.3827 0.1696 1497. (0.00015) RY*( 5) C 116 s( 1.94%)p 8.60( 16.69%)d41.93( 81.37%) 0.0000 -0.0006 0.1219 0.0674 -0.0020 0.1233 -0.2141 0.0095 0.0452 0.1395 -0.0136 0.0121 -0.2898 0.1370 0.0541 -0.6911 0.3634 -0.2107 0.2048 -0.2748 0.1215 -0.0745 0.0071 1498. (0.00012) RY*( 6) C 116 s( 7.61%)p 4.21( 32.06%)d 7.92( 60.32%) 0.0000 -0.0090 0.2737 -0.0338 -0.0168 -0.2751 0.2442 0.0103 0.1559 -0.0917 0.0061 -0.2591 0.2917 -0.1433 -0.0201 -0.3464 0.2820 -0.0726 -0.0580 0.5027 -0.2331 0.1081 -0.2355 1499. (0.00009) RY*( 7) C 116 s( 9.53%)p 1.56( 14.88%)d 7.93( 75.59%) 1500. (0.00005) RY*( 8) C 116 s( 1.54%)p24.08( 37.15%)d39.74( 61.30%) 1501. (0.00002) RY*( 9) C 116 s( 6.90%)p 1.28( 8.84%)d12.21( 84.26%) 1502. (0.00002) RY*(10) C 116 s( 15.75%)p 2.10( 33.07%)d 3.25( 51.18%) 1503. (0.00000) RY*(11) C 116 s( 0.94%)p93.20( 88.05%)d11.65( 11.00%) 1504. (0.00000) RY*(12) C 116 s( 1.58%)p 8.35( 13.21%)d53.84( 85.20%) 1505. (0.00000) RY*(13) C 116 s( 95.56%)p 0.03( 2.96%)d 0.02( 1.48%) 1506. (0.00000) RY*(14) C 116 s( 0.39%)p11.22( 4.34%)d99.99( 95.27%) 1507. (0.00000) RY*(15) C 116 s( 0.82%)p99.99( 87.97%)d13.62( 11.21%) 1508. (0.00000) RY*(16) C 116 s( 2.68%)p 2.56( 6.86%)d33.80( 90.46%) 1509. (0.00000) RY*(17) C 116 s( 0.41%)p11.63( 4.80%)d99.99( 94.79%) 1510. (0.00000) RY*(18) C 116 s( 0.14%)p15.89( 2.17%)d99.99( 97.69%) 1511. (0.00142) RY*( 1) H 117 s( 96.08%)p 0.04( 3.92%) -0.0027 0.9802 0.0034 -0.0253 0.0967 -0.1708 1512. (0.00017) RY*( 2) H 117 s( 76.32%)p 0.31( 23.68%) 0.0009 -0.0592 0.8716 -0.4312 0.0984 -0.2029 1513. (0.00013) RY*( 3) H 117 s( 2.32%)p42.09( 97.68%) 0.0008 -0.0271 0.1499 0.4339 -0.6622 -0.5916 1514. (0.00010) RY*( 4) H 117 s( 22.85%)p 3.38( 77.15%) 1515. (0.00002) RY*( 5) H 117 s( 2.45%)p39.83( 97.55%) 1516. (0.00193) RY*( 1) H 118 s( 97.69%)p 0.02( 2.31%) -0.0029 0.9884 0.0016 -0.0597 -0.0178 -0.1388 1517. (0.00015) RY*( 2) H 118 s( 73.45%)p 0.36( 26.55%) 0.0000 -0.0577 0.8551 -0.2538 0.3029 -0.3307 1518. (0.00011) RY*( 3) H 118 s( 11.63%)p 7.59( 88.37%) 0.0002 0.0624 0.3354 -0.3895 -0.5167 0.6819 1519. (0.00009) RY*( 4) H 118 s( 16.14%)p 5.20( 83.86%) 1520. (0.00002) RY*( 5) H 118 s( 1.12%)p88.12( 98.88%) 1521. (0.00171) RY*( 1) H 119 s( 96.57%)p 0.04( 3.43%) -0.0038 0.9827 -0.0020 -0.1324 0.0688 -0.1096 1522. (0.00018) RY*( 2) H 119 s( 94.22%)p 0.06( 5.78%) 0.0007 0.0380 0.9699 0.1396 0.0540 0.1882 1523. (0.00013) RY*( 3) H 119 s( 0.99%)p99.99( 99.01%) 0.0012 0.0291 0.0951 -0.2626 -0.9594 -0.0263 1524. (0.00011) RY*( 4) H 119 s( 5.21%)p18.18( 94.79%) 0.0018 -0.1172 0.1960 -0.0412 0.0537 -0.9712 1525. (0.00002) RY*( 5) H 119 s( 3.03%)p32.02( 96.97%) 1526. (0.05240) BD*( 1)As 1 -Ge 3 ( 27.97%) 0.5289*As 1 s( 13.05%)p 6.58( 85.89%)d 0.08( 1.06%) 0.0000 0.0000 0.0004 0.3602 -0.0279 -0.0015 0.0001 0.0000 0.0000 0.0000 0.6530 -0.0198 -0.0008 0.0007 0.0000 0.0000 0.0001 0.2263 0.0047 0.0008 0.0000 0.0000 0.0000 -0.0001 -0.6169 0.0141 0.0086 0.0003 0.0000 0.0006 -0.0197 0.0021 0.0009 -0.0001 -0.0867 0.0017 0.0004 -0.0002 0.0053 -0.0019 -0.0006 -0.0001 0.0177 0.0003 0.0021 -0.0004 0.0480 -0.0019 0.0000 ( 72.03%) -0.8487*Ge 3 s( 4.51%)p21.12( 95.19%)d 0.07( 0.31%) 0.0000 0.0000 0.0001 0.1980 -0.0766 -0.0003 0.0001 0.0000 0.0000 0.0000 -0.5920 0.0150 -0.0069 -0.0017 0.0000 0.0000 0.0007 0.4048 0.0044 -0.0024 -0.0007 0.0000 0.0000 -0.0002 0.6583 0.0618 -0.0002 -0.0006 0.0000 -0.0013 -0.0069 0.0162 -0.0004 -0.0002 -0.0406 -0.0078 -0.0026 0.0006 0.0171 -0.0012 -0.0002 0.0007 0.0164 0.0029 0.0010 0.0000 0.0209 0.0030 -0.0006 1527. (0.06303) BD*( 1)As 1 - C 4 ( 64.12%) 0.8007*As 1 s( 12.21%)p 7.16( 87.36%)d 0.04( 0.43%) 0.0000 0.0000 -0.0004 0.3473 0.0379 -0.0010 0.0001 0.0000 0.0000 -0.0002 -0.7317 -0.0228 -0.0064 -0.0007 0.0000 0.0000 0.0001 0.3784 0.0284 0.0064 0.0007 0.0000 0.0000 0.0000 -0.4400 -0.0014 -0.0037 0.0009 0.0000 -0.0005 0.0030 -0.0222 -0.0030 0.0000 0.0523 0.0177 0.0020 -0.0001 -0.0111 -0.0101 -0.0033 0.0001 0.0132 0.0130 0.0032 -0.0002 0.0122 -0.0061 -0.0023 ( 35.88%) -0.5990* C 4 s( 25.53%)p 2.91( 74.36%)d 0.00( 0.10%) -0.0002 0.5047 -0.0253 -0.0008 0.7100 -0.0471 -0.0013 -0.3926 0.0324 0.0008 0.2866 -0.0044 -0.0009 -0.0164 -0.0009 0.0158 -0.0009 -0.0137 0.0057 0.0133 -0.0023 -0.0108 0.0027 1528. (0.04949) BD*( 1)As 1 - C 33 ( 66.63%) 0.8163*As 1 s( 9.73%)p 9.22( 89.76%)d 0.05( 0.50%) 0.0000 0.0000 -0.0011 0.3100 0.0352 -0.0013 0.0001 0.0000 0.0000 -0.0001 -0.1372 0.0041 0.0033 0.0010 0.0000 0.0000 -0.0001 -0.8892 -0.0349 -0.0102 -0.0011 0.0000 0.0000 -0.0002 -0.2940 -0.0160 -0.0035 -0.0002 0.0000 -0.0002 -0.0136 0.0064 0.0006 -0.0003 0.0101 -0.0024 0.0000 0.0003 0.0571 0.0196 0.0017 -0.0005 -0.0222 -0.0213 -0.0051 -0.0004 0.0003 -0.0090 -0.0005 ( 33.37%) -0.5777* C 33 s( 26.74%)p 2.74( 73.18%)d 0.00( 0.09%) -0.0008 0.5160 -0.0327 -0.0007 -0.0122 -0.0164 0.0011 0.8123 -0.0582 -0.0008 0.2611 -0.0028 0.0003 0.0104 -0.0033 -0.0003 -0.0032 0.0144 -0.0006 -0.0216 0.0044 -0.0067 -0.0012 1529. (0.05431) BD*( 1)As 2 -Ge 3 ( 28.27%) 0.5317*As 2 s( 13.38%)p 6.39( 85.51%)d 0.08( 1.10%) 0.0000 0.0000 0.0004 0.3648 -0.0276 -0.0011 0.0002 0.0000 0.0000 0.0000 -0.6398 0.0170 0.0013 -0.0010 0.0000 0.0000 -0.0001 -0.2506 -0.0004 -0.0011 -0.0005 0.0000 0.0000 -0.0001 -0.6184 0.0128 0.0089 0.0008 0.0000 0.0005 -0.0164 0.0030 0.0006 0.0001 0.0870 -0.0016 -0.0002 0.0002 -0.0044 0.0027 0.0009 -0.0001 0.0207 -0.0006 0.0021 -0.0004 0.0518 -0.0025 0.0000 ( 71.73%) -0.8469*Ge 3 s( 4.73%)p20.07( 94.98%)d 0.06( 0.29%) 0.0000 0.0000 0.0002 0.2033 -0.0774 -0.0001 0.0000 0.0000 0.0000 0.0001 0.6103 -0.0159 0.0077 0.0017 0.0000 0.0000 -0.0005 -0.3335 0.0049 0.0033 0.0009 0.0000 0.0000 -0.0001 0.6800 0.0583 -0.0008 -0.0006 0.0000 -0.0010 -0.0044 0.0147 0.0001 0.0004 0.0400 0.0053 0.0031 -0.0003 -0.0139 0.0023 0.0007 0.0007 0.0179 0.0023 0.0009 0.0000 0.0214 0.0036 -0.0006 1530. (0.06443) BD*( 1)As 2 - C 62 ( 64.05%) 0.8003*As 2 s( 12.44%)p 7.00( 87.13%)d 0.03( 0.44%) 0.0000 0.0000 -0.0004 0.3506 0.0385 -0.0012 0.0001 0.0000 0.0000 0.0002 0.7420 0.0236 0.0077 0.0008 0.0000 0.0000 -0.0001 -0.3874 -0.0302 -0.0061 -0.0006 0.0000 0.0000 0.0000 -0.4112 0.0019 -0.0032 0.0002 0.0000 -0.0005 0.0023 -0.0230 -0.0029 0.0000 -0.0523 -0.0172 -0.0019 0.0001 0.0122 0.0096 0.0029 0.0001 0.0146 0.0136 0.0037 -0.0002 0.0080 -0.0066 -0.0027 ( 35.95%) -0.5996* C 62 s( 25.54%)p 2.91( 74.35%)d 0.00( 0.11%) -0.0002 0.5048 -0.0251 -0.0009 -0.7346 0.0485 0.0016 0.3540 -0.0310 -0.0006 0.2742 -0.0036 -0.0005 -0.0171 -0.0007 -0.0154 0.0008 0.0123 -0.0055 0.0140 -0.0019 -0.0126 0.0029 1531. (0.05025) BD*( 1)As 2 - C 83 ( 66.02%) 0.8125*As 2 s( 10.10%)p 8.85( 89.44%)d 0.05( 0.46%) 0.0000 0.0000 0.0011 -0.3164 -0.0299 0.0008 -0.0001 0.0000 0.0000 -0.0001 -0.1371 0.0103 0.0039 0.0006 0.0000 0.0000 -0.0002 -0.8801 -0.0307 -0.0098 -0.0011 0.0000 0.0000 0.0001 0.3152 0.0193 0.0044 -0.0003 0.0000 0.0001 0.0086 -0.0056 -0.0013 -0.0003 0.0084 -0.0012 0.0003 0.0003 0.0542 0.0224 0.0014 0.0005 0.0211 0.0214 0.0050 0.0004 -0.0010 0.0075 0.0007 ( 33.98%) -0.5829* C 83 s( 26.34%)p 2.79( 73.57%)d 0.00( 0.08%) 0.0007 -0.5123 0.0310 0.0008 0.0387 -0.0161 0.0012 0.8097 -0.0598 -0.0008 -0.2733 0.0075 -0.0004 -0.0093 0.0027 0.0010 -0.0035 0.0163 -0.0009 0.0204 -0.0042 0.0054 0.0014 1532. (0.03067) BD*( 1) C 4 - C 5 ( 50.66%) 0.7118* C 4 s( 37.41%)p 1.67( 62.50%)d 0.00( 0.09%) -0.0001 0.6115 0.0143 0.0007 0.1005 0.0026 -0.0020 0.6538 0.0190 0.0000 -0.4326 -0.0013 -0.0007 -0.0065 0.0032 0.0064 -0.0023 -0.0227 -0.0059 -0.0070 -0.0092 -0.0097 0.0024 ( 49.34%) -0.7024* C 5 s( 35.75%)p 1.80( 64.19%)d 0.00( 0.06%) 0.0000 0.5978 0.0112 -0.0013 -0.0211 0.0136 -0.0005 -0.6809 0.0044 -0.0014 0.4214 0.0044 0.0013 0.0042 -0.0026 -0.0026 0.0015 -0.0188 -0.0008 -0.0089 -0.0092 -0.0060 0.0047 1533. (0.37221) BD*( 2) C 4 - C 5 ( 47.29%) 0.6877* C 4 s( 0.02%)p99.99( 99.96%)d 0.85( 0.02%) 0.0003 0.0108 -0.0097 0.0003 0.0170 -0.0036 0.0011 -0.5598 -0.0168 -0.0019 -0.8278 -0.0207 -0.0022 0.0005 0.0023 0.0008 0.0027 -0.0044 -0.0041 0.0041 0.0042 0.0073 0.0064 ( 52.71%) -0.7260* C 5 s( 0.02%)p99.99( 99.95%)d 1.39( 0.03%) -0.0002 -0.0134 -0.0062 -0.0007 0.0303 -0.0003 -0.0002 -0.5351 -0.0025 0.0003 -0.8437 -0.0180 0.0001 0.0036 0.0001 0.0078 0.0004 0.0078 0.0012 -0.0073 -0.0014 -0.0098 -0.0040 1534. (0.02941) BD*( 1) C 4 - C 12 ( 50.53%) 0.7108* C 4 s( 36.82%)p 1.71( 63.09%)d 0.00( 0.09%) -0.0001 0.6065 0.0187 0.0001 -0.6948 -0.0163 -0.0026 -0.3214 -0.0070 0.0018 0.2109 0.0067 -0.0009 0.0015 0.0088 -0.0017 -0.0058 -0.0124 0.0025 0.0203 0.0044 -0.0145 -0.0021 ( 49.47%) -0.7034* C 12 s( 35.22%)p 1.84( 64.71%)d 0.00( 0.07%) 0.0000 0.5934 0.0109 -0.0010 0.7356 0.0061 0.0017 0.2624 -0.0101 0.0015 -0.1922 0.0065 -0.0007 0.0122 0.0027 -0.0074 -0.0035 -0.0105 0.0087 0.0113 0.0050 -0.0103 0.0002 1535. (0.02861) BD*( 1) C 5 - C 6 ( 49.59%) 0.7042* C 5 s( 32.90%)p 2.04( 67.03%)d 0.00( 0.08%) 0.0002 -0.5735 -0.0059 -0.0013 0.6854 0.0020 0.0012 -0.3620 -0.0108 -0.0009 0.2633 0.0058 0.0012 0.0094 0.0093 -0.0092 -0.0050 0.0103 -0.0048 -0.0145 0.0004 0.0126 -0.0028 ( 50.41%) -0.7100* C 6 s( 36.61%)p 1.73( 63.31%)d 0.00( 0.08%) -0.0002 -0.6050 -0.0041 0.0005 -0.6768 -0.0091 0.0007 0.3311 -0.0131 0.0011 -0.2551 0.0092 -0.0004 0.0115 0.0064 -0.0095 -0.0044 0.0165 -0.0043 -0.0077 -0.0029 0.0113 -0.0006 1536. (0.03573) BD*( 1) C 5 - C 13 ( 49.49%) 0.7035* C 5 s( 31.27%)p 2.20( 68.69%)d 0.00( 0.04%) 0.0000 -0.5591 0.0132 0.0000 -0.7264 0.0233 0.0001 -0.3436 0.0079 0.0005 0.2009 -0.0123 -0.0006 -0.0079 -0.0060 0.0065 0.0024 0.0105 -0.0066 -0.0042 -0.0039 0.0072 -0.0004 ( 50.51%) -0.7107* C 13 s( 27.51%)p 2.63( 72.43%)d 0.00( 0.07%) -0.0003 -0.5244 -0.0029 -0.0008 0.7384 -0.0014 -0.0002 0.3623 -0.0023 -0.0015 -0.2185 -0.0046 0.0001 -0.0166 -0.0013 0.0099 0.0016 0.0052 -0.0019 -0.0123 -0.0015 0.0103 0.0010 1537. (0.01761) BD*( 1) C 6 - H 7 ( 39.90%) 0.6317* C 6 s( 27.20%)p 2.67( 72.74%)d 0.00( 0.05%) 0.0005 -0.5211 0.0215 0.0005 -0.0588 0.0127 -0.0006 -0.7036 0.0074 0.0052 0.4782 -0.0045 -0.0034 -0.0026 -0.0004 0.0016 0.0006 0.0190 0.0023 0.0091 0.0075 0.0033 -0.0030 ( 60.10%) -0.7752* H 7 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0019 -0.0013 0.0013 0.0123 -0.0083 1538. (0.01645) BD*( 1) C 6 - C 8 ( 49.75%) 0.7054* C 6 s( 36.06%)p 1.77( 63.86%)d 0.00( 0.08%) -0.0001 -0.6001 -0.0205 -0.0011 0.7317 0.0281 0.0005 0.2780 -0.0284 0.0009 -0.1547 0.0201 -0.0008 -0.0139 -0.0045 0.0076 0.0032 0.0150 -0.0063 -0.0090 -0.0057 0.0130 0.0005 ( 50.25%) -0.7089* C 8 s( 36.22%)p 1.76( 63.70%)d 0.00( 0.08%) -0.0001 -0.6017 -0.0125 -0.0004 -0.7014 -0.0098 -0.0009 -0.3195 0.0347 0.0015 0.2026 -0.0239 -0.0010 -0.0085 -0.0062 0.0041 0.0042 0.0101 -0.0046 -0.0177 -0.0019 0.0151 -0.0006 1539. (0.33290) BD*( 2) C 6 - C 8 ( 49.32%) 0.7023* C 6 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) -0.0001 -0.0020 -0.0014 0.0000 0.0376 -0.0002 0.0009 -0.5628 0.0012 -0.0037 -0.8256 0.0012 -0.0054 0.0024 0.0035 0.0049 0.0049 0.0052 0.0010 -0.0063 -0.0010 -0.0098 -0.0017 ( 50.68%) -0.7119* C 8 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.02%) 0.0000 -0.0020 -0.0022 0.0001 0.0233 0.0006 0.0002 -0.5685 -0.0021 -0.0048 -0.8221 -0.0036 -0.0075 -0.0081 -0.0032 -0.0119 -0.0046 -0.0001 -0.0006 0.0002 0.0009 -0.0014 0.0012 1540. (0.01579) BD*( 1) C 8 - H 9 ( 39.96%) 0.6321* C 8 s( 27.53%)p 2.63( 72.42%)d 0.00( 0.05%) -0.0004 0.5242 -0.0211 -0.0005 -0.7051 -0.0119 0.0060 0.3815 0.0065 -0.0033 -0.2850 -0.0047 0.0024 -0.0131 -0.0050 0.0098 0.0035 -0.0081 0.0025 0.0095 0.0016 -0.0086 0.0004 ( 60.04%) -0.7749* H 9 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0002 0.0013 0.0130 -0.0071 0.0053 1541. (0.01665) BD*( 1) C 8 - C 10 ( 50.24%) 0.7088* C 8 s( 36.11%)p 1.77( 63.81%)d 0.00( 0.08%) 0.0001 0.6008 0.0118 0.0003 -0.0889 0.0428 0.0018 -0.6538 0.0056 0.0001 0.4481 -0.0028 0.0001 -0.0025 0.0021 0.0023 -0.0020 -0.0250 -0.0005 -0.0080 -0.0076 -0.0056 0.0037 ( 49.76%) -0.7054* C 10 s( 35.78%)p 1.79( 64.14%)d 0.00( 0.08%) 0.0001 0.5979 0.0189 0.0012 0.0230 -0.0432 0.0008 0.6525 0.0114 0.0005 -0.4615 -0.0073 -0.0007 0.0068 -0.0011 -0.0048 0.0007 -0.0241 -0.0018 -0.0057 -0.0086 -0.0072 0.0044 1542. (0.01738) BD*( 1) C 10 - H 11 ( 39.79%) 0.6308* C 10 s( 27.29%)p 2.66( 72.66%)d 0.00( 0.05%) -0.0004 0.5219 -0.0213 -0.0004 -0.7686 0.0038 0.0059 -0.3027 0.0116 0.0016 0.2095 -0.0081 -0.0013 0.0110 0.0049 -0.0068 -0.0034 -0.0073 0.0039 0.0120 0.0039 -0.0100 -0.0008 ( 60.21%) -0.7760* H 11 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0015 0.0013 0.0135 0.0058 -0.0035 1543. (0.02840) BD*( 1) C 10 - C 12 ( 50.37%) 0.7097* C 10 s( 36.80%)p 1.72( 63.13%)d 0.00( 0.07%) 0.0001 0.6066 0.0055 -0.0007 0.6382 -0.0120 0.0004 -0.3839 -0.0129 0.0014 0.2761 0.0098 -0.0003 -0.0096 -0.0074 0.0069 0.0051 -0.0129 0.0031 0.0134 0.0011 -0.0129 0.0002 ( 49.63%) -0.7045* C 12 s( 33.52%)p 1.98( 66.41%)d 0.00( 0.08%) -0.0001 0.5789 0.0044 0.0015 -0.6713 -0.0136 -0.0011 0.3776 -0.0015 0.0008 -0.2658 0.0059 0.0001 -0.0141 -0.0062 0.0093 0.0049 -0.0144 0.0075 0.0059 0.0040 -0.0102 0.0007 1544. (0.33911) BD*( 2) C 10 - C 12 ( 48.97%) 0.6998* C 10 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0003 -0.0013 -0.0003 0.0052 -0.0013 -0.0006 -0.5777 -0.0011 -0.0031 -0.8160 0.0010 -0.0068 -0.0087 -0.0020 -0.0134 -0.0023 0.0021 -0.0005 -0.0023 0.0002 -0.0026 0.0000 ( 51.03%) -0.7143* C 12 s( 0.01%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0001 0.0048 -0.0062 0.0004 -0.0058 0.0002 0.0009 -0.5873 -0.0037 -0.0003 -0.8091 -0.0002 0.0002 0.0050 0.0019 0.0057 0.0038 -0.0047 -0.0012 0.0066 0.0009 0.0117 0.0020 1545. (0.03567) BD*( 1) C 12 - C 23 ( 49.55%) 0.7039* C 12 s( 31.19%)p 2.20( 68.77%)d 0.00( 0.04%) 0.0000 -0.5584 0.0118 0.0005 0.0856 0.0018 0.0001 0.6653 -0.0189 0.0003 -0.4869 0.0186 0.0008 -0.0048 -0.0001 0.0034 0.0005 0.0157 0.0001 0.0016 0.0093 0.0015 -0.0037 ( 50.45%) -0.7103* C 23 s( 27.75%)p 2.60( 72.18%)d 0.00( 0.06%) -0.0003 -0.5268 -0.0021 -0.0006 -0.0779 0.0031 0.0017 -0.6574 0.0090 -0.0004 0.5325 0.0053 0.0009 -0.0036 -0.0010 0.0020 -0.0033 0.0201 0.0000 0.0131 0.0014 -0.0014 -0.0001 1546. (0.02505) BD*( 1) C 13 - H 14 ( 39.04%) 0.6249* C 13 s( 21.73%)p 3.60( 78.19%)d 0.00( 0.08%) 0.0002 -0.4658 0.0173 0.0008 -0.6496 0.0040 0.0013 0.3628 -0.0192 0.0005 -0.4773 0.0089 -0.0005 0.0149 0.0016 -0.0198 -0.0020 0.0126 0.0021 -0.0071 0.0003 0.0004 -0.0001 ( 60.96%) -0.7807* H 14 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0011 -0.0009 0.0090 -0.0062 0.0083 1547. (0.01775) BD*( 1) C 13 - C 15 ( 49.09%) 0.7007* C 13 s( 25.56%)p 2.91( 74.40%)d 0.00( 0.04%) -0.0002 -0.5055 -0.0110 -0.0001 0.0084 -0.0171 0.0017 -0.8468 -0.0046 -0.0016 -0.1627 -0.0110 -0.0007 0.0026 0.0012 -0.0002 0.0023 -0.0066 0.0013 0.0152 -0.0021 0.0091 -0.0003 ( 50.91%) -0.7135* C 15 s( 30.37%)p 2.29( 69.56%)d 0.00( 0.07%) -0.0006 -0.5511 -0.0043 -0.0017 0.0266 0.0062 -0.0038 0.8179 0.0021 -0.0007 0.1609 0.0003 -0.0003 -0.0016 0.0002 0.0000 -0.0002 -0.0101 0.0010 0.0206 0.0000 0.0110 -0.0003 1548. (0.01974) BD*( 1) C 13 - C 19 ( 49.19%) 0.7014* C 13 s( 25.22%)p 2.96( 74.74%)d 0.00( 0.04%) -0.0002 -0.5021 -0.0072 0.0000 -0.1769 -0.0143 0.0005 0.1378 0.0013 0.0009 0.8348 0.0047 0.0035 0.0012 -0.0027 0.0045 -0.0018 -0.0064 0.0002 0.0006 0.0018 -0.0188 0.0010 ( 50.81%) -0.7128* C 19 s( 29.96%)p 2.34( 69.98%)d 0.00( 0.06%) -0.0006 -0.5473 -0.0049 -0.0015 0.1724 -0.0011 -0.0030 -0.1355 0.0099 0.0001 -0.8073 0.0013 0.0000 0.0020 -0.0002 0.0096 -0.0003 -0.0066 -0.0002 -0.0008 0.0001 -0.0211 -0.0014 1549. (0.01039) BD*( 1) C 15 - H 16 ( 40.50%) 0.6364* C 15 s( 23.14%)p 3.32( 76.77%)d 0.00( 0.09%) 0.0000 -0.4810 0.0015 0.0006 0.5560 0.0029 0.0010 -0.4426 0.0147 -0.0035 0.5123 0.0077 0.0022 0.0137 0.0026 -0.0202 -0.0006 0.0132 0.0023 -0.0089 0.0023 -0.0037 0.0017 ( 59.50%) -0.7714* H 16 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0019 -0.0006 -0.0100 0.0090 -0.0088 1550. (0.00711) BD*( 1) C 15 - H 17 ( 39.82%) 0.6310* C 15 s( 23.12%)p 3.32( 76.79%)d 0.00( 0.09%) 0.0001 -0.4808 0.0014 0.0003 -0.8019 -0.0053 0.0042 -0.3247 0.0137 0.0039 0.1382 0.0062 -0.0010 -0.0145 -0.0020 0.0096 -0.0007 0.0025 0.0007 -0.0200 -0.0014 0.0145 -0.0004 ( 60.18%) -0.7758* H 17 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0011 -0.0004 0.0113 0.0047 -0.0012 1551. (0.00663) BD*( 1) C 15 - H 18 ( 40.02%) 0.6326* C 15 s( 23.32%)p 3.28( 76.59%)d 0.00( 0.09%) 0.0001 -0.4829 0.0002 0.0006 0.2142 0.0044 0.0015 -0.1684 0.0125 -0.0034 -0.8316 -0.0042 -0.0020 0.0021 0.0001 0.0103 0.0020 -0.0019 -0.0041 -0.0038 0.0011 -0.0272 -0.0006 ( 59.98%) -0.7745* H 18 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0008 -0.0003 -0.0030 0.0030 0.0150 1552. (0.00731) BD*( 1) C 19 - H 20 ( 40.08%) 0.6331* C 19 s( 24.15%)p 3.14( 75.75%)d 0.00( 0.10%) -0.0001 0.4914 -0.0037 -0.0005 0.0330 0.0007 -0.0004 -0.8501 -0.0115 -0.0019 -0.1831 0.0103 -0.0058 -0.0025 0.0007 0.0038 -0.0025 0.0064 0.0009 -0.0242 -0.0026 -0.0191 0.0021 ( 59.92%) -0.7741* H 20 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0004 0.0003 -0.0001 0.0146 0.0040 1553. (0.00788) BD*( 1) C 19 - H 21 ( 39.90%) 0.6317* C 19 s( 22.93%)p 3.36( 76.98%)d 0.00( 0.09%) 0.0001 -0.4788 0.0003 0.0003 -0.7724 -0.0019 0.0045 -0.3537 -0.0004 0.0026 0.2187 -0.0157 -0.0030 -0.0194 -0.0008 0.0082 0.0017 0.0041 0.0009 -0.0166 -0.0011 0.0119 0.0026 ( 60.10%) -0.7752* H 21 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0015 -0.0005 0.0108 0.0041 -0.0045 1554. (0.01079) BD*( 1) C 19 - H 22 ( 40.24%) 0.6344* C 19 s( 22.92%)p 3.36( 76.99%)d 0.00( 0.09%) 0.0000 -0.4788 -0.0006 0.0006 0.6095 0.0074 0.0013 -0.3641 -0.0055 -0.0018 0.5153 -0.0137 0.0036 0.0159 0.0006 -0.0189 -0.0032 0.0117 0.0013 -0.0098 0.0003 0.0070 -0.0040 ( 59.76%) -0.7730* H 22 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0021 -0.0006 -0.0113 0.0064 -0.0097 1555. (0.02378) BD*( 1) C 23 - H 24 ( 39.02%) 0.6246* C 23 s( 20.95%)p 3.77( 78.95%)d 0.00( 0.09%) 0.0002 -0.4574 0.0188 0.0006 -0.6736 0.0186 0.0002 0.5614 0.0021 -0.0001 0.1426 -0.0034 0.0005 0.0236 0.0022 0.0080 0.0014 -0.0062 -0.0006 -0.0067 -0.0020 0.0142 0.0028 ( 60.98%) -0.7809* H 24 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0022 -0.0005 0.0107 -0.0075 -0.0034 1556. (0.01578) BD*( 1) C 23 - C 25 ( 49.26%) 0.7019* C 23 s( 26.18%)p 2.82( 73.79%)d 0.00( 0.03%) -0.0002 -0.5115 -0.0132 0.0001 0.7321 -0.0084 0.0007 0.4293 0.0211 -0.0001 0.1309 0.0020 0.0004 -0.0117 0.0016 -0.0038 0.0022 -0.0013 0.0027 -0.0077 0.0010 0.0086 -0.0026 ( 50.74%) -0.7123* C 25 s( 30.67%)p 2.26( 69.25%)d 0.00( 0.08%) -0.0005 -0.5538 -0.0047 -0.0018 -0.6941 0.0051 0.0007 -0.4479 -0.0128 0.0022 -0.0996 0.0045 0.0013 -0.0222 0.0013 -0.0057 0.0006 -0.0034 0.0005 -0.0087 0.0000 0.0130 -0.0007 1557. (0.01890) BD*( 1) C 23 - C 29 ( 49.11%) 0.7008* C 23 s( 25.12%)p 2.98( 74.84%)d 0.00( 0.05%) -0.0001 -0.5011 -0.0067 -0.0001 -0.0510 -0.0053 0.0015 -0.2596 0.0112 -0.0012 -0.8234 -0.0127 -0.0025 -0.0030 -0.0042 -0.0009 0.0028 -0.0125 0.0007 0.0011 0.0002 -0.0169 0.0009 ( 50.89%) -0.7134* C 29 s( 30.17%)p 2.31( 69.77%)d 0.00( 0.06%) -0.0007 -0.5493 -0.0059 -0.0015 0.0379 -0.0022 -0.0035 0.2588 -0.0072 0.0002 0.7932 0.0026 -0.0018 -0.0014 0.0005 -0.0020 -0.0001 -0.0109 -0.0007 0.0024 -0.0004 -0.0216 0.0000 1558. (0.01044) BD*( 1) C 25 - H 26 ( 40.43%) 0.6358* C 25 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 0.4800 -0.0030 -0.0007 -0.7092 0.0123 -0.0013 0.4506 0.0119 -0.0010 0.2497 0.0031 0.0013 -0.0235 -0.0014 -0.0114 -0.0016 0.0082 0.0001 0.0038 0.0039 -0.0098 -0.0013 ( 59.57%) -0.7718* H 26 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0023 0.0005 0.0134 -0.0074 -0.0049 1559. (0.00655) BD*( 1) C 25 - H 27 ( 40.02%) 0.6326* C 25 s( 22.76%)p 3.39( 77.15%)d 0.00( 0.09%) -0.0001 0.4771 -0.0002 -0.0004 0.0252 0.0123 -0.0004 -0.7347 0.0013 -0.0012 0.4804 0.0092 -0.0003 -0.0063 0.0018 0.0038 -0.0014 -0.0247 -0.0005 -0.0153 -0.0033 0.0019 -0.0016 ( 59.98%) -0.7745* H 27 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0006 0.0003 -0.0008 0.0124 -0.0090 1560. (0.00736) BD*( 1) C 25 - H 28 ( 40.04%) 0.6328* C 25 s( 23.47%)p 3.26( 76.43%)d 0.00( 0.09%) -0.0001 0.4845 -0.0007 -0.0006 -0.1149 0.0098 -0.0015 -0.2347 0.0093 -0.0017 -0.8341 -0.0054 0.0003 -0.0039 0.0035 0.0022 0.0020 0.0097 0.0024 -0.0026 0.0005 0.0283 0.0009 ( 59.96%) -0.7743* H 28 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0010 0.0003 0.0003 0.0034 0.0134 1561. (0.00715) BD*( 1) C 29 - H 30 ( 39.68%) 0.6299* C 29 s( 23.86%)p 3.19( 76.05%)d 0.00( 0.09%) 0.0000 -0.4885 0.0017 0.0003 -0.7508 -0.0058 0.0041 -0.4100 0.0017 0.0030 -0.1682 0.0165 0.0021 -0.0211 -0.0008 -0.0055 -0.0018 -0.0030 -0.0005 -0.0144 -0.0005 0.0136 0.0018 ( 60.32%) -0.7766* H 30 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0003 -0.0001 0.0106 0.0057 0.0024 1562. (0.00763) BD*( 1) C 29 - H 31 ( 40.33%) 0.6351* C 29 s( 22.80%)p 3.38( 77.11%)d 0.00( 0.09%) 0.0001 -0.4775 -0.0017 0.0005 0.0647 0.0024 0.0003 0.6777 0.0102 0.0008 -0.5544 0.0091 -0.0033 -0.0025 -0.0005 0.0021 0.0004 0.0230 0.0030 0.0178 -0.0007 0.0043 -0.0033 ( 59.67%) -0.7725* H 31 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0015 -0.0004 -0.0014 -0.0117 0.0111 1563. (0.00984) BD*( 1) C 29 - H 32 ( 40.22%) 0.6342* C 29 s( 23.12%)p 3.32( 76.79%)d 0.00( 0.09%) 0.0000 -0.4808 0.0045 0.0005 0.6553 0.0076 0.0026 -0.5517 0.0018 -0.0033 -0.1838 0.0167 -0.0021 0.0244 0.0013 0.0036 0.0032 -0.0017 -0.0033 -0.0068 0.0016 0.0147 0.0003 ( 59.78%) -0.7732* H 32 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0021 -0.0006 -0.0116 0.0105 0.0035 1564. (0.03436) BD*( 1) C 33 - C 34 ( 50.70%) 0.7120* C 33 s( 37.04%)p 1.70( 62.88%)d 0.00( 0.08%) 0.0003 -0.6082 -0.0213 -0.0003 0.3257 0.0214 -0.0004 0.1653 -0.0016 0.0023 0.7031 0.0246 0.0006 -0.0035 -0.0026 -0.0117 -0.0052 -0.0157 -0.0028 0.0113 -0.0050 -0.0140 -0.0077 ( 49.30%) -0.7021* C 34 s( 35.72%)p 1.80( 64.21%)d 0.00( 0.07%) 0.0002 -0.5975 -0.0144 0.0010 -0.2699 0.0158 -0.0014 -0.2421 -0.0136 0.0000 -0.7142 -0.0023 -0.0017 -0.0021 -0.0032 -0.0170 0.0032 -0.0063 -0.0056 0.0024 -0.0054 -0.0172 -0.0025 1565. (0.42038) BD*( 2) C 33 - C 34 ( 44.29%) 0.6655* C 33 s( 0.07%)p99.99( 99.90%)d 0.54( 0.04%) 0.0010 -0.0170 0.0195 -0.0002 -0.8901 -0.0166 -0.0008 -0.1404 0.0093 -0.0016 0.4320 -0.0018 0.0006 -0.0017 0.0072 0.0152 0.0021 0.0009 -0.0020 -0.0052 0.0023 -0.0038 -0.0046 ( 55.71%) -0.7464* C 34 s( 0.01%)p 1.00( 99.96%)d 0.00( 0.03%) 0.0006 -0.0076 0.0042 0.0002 -0.9137 -0.0187 0.0007 -0.1126 0.0076 0.0002 0.3891 0.0182 -0.0013 0.0019 -0.0010 -0.0086 -0.0048 -0.0012 -0.0019 -0.0089 0.0005 0.0100 0.0034 1566. (0.03105) BD*( 1) C 33 - C 41 ( 50.75%) 0.7124* C 33 s( 36.07%)p 1.77( 63.83%)d 0.00( 0.10%) -0.0003 0.6002 0.0207 0.0004 0.3158 0.0115 -0.0001 -0.5373 -0.0183 -0.0022 0.4989 0.0241 -0.0007 -0.0143 -0.0041 0.0142 0.0020 -0.0071 -0.0106 -0.0187 0.0014 -0.0046 0.0009 ( 49.25%) -0.7018* C 41 s( 35.37%)p 1.83( 64.55%)d 0.00( 0.08%) 0.0000 0.5946 0.0137 -0.0011 -0.3171 -0.0042 -0.0008 0.5824 0.0085 0.0012 -0.4532 0.0145 -0.0014 -0.0123 0.0014 0.0155 0.0060 -0.0146 0.0055 -0.0089 -0.0037 0.0044 0.0051 1567. (0.03003) BD*( 1) C 34 - C 35 ( 49.65%) 0.7046* C 34 s( 32.46%)p 2.08( 67.46%)d 0.00( 0.08%) 0.0003 -0.5697 -0.0057 -0.0012 -0.0041 0.0095 0.0005 0.7941 0.0071 0.0012 0.2092 0.0095 0.0007 0.0035 -0.0037 -0.0048 0.0062 -0.0054 -0.0066 0.0226 0.0010 0.0080 0.0058 ( 50.35%) -0.7096* C 35 s( 36.65%)p 1.73( 63.28%)d 0.00( 0.08%) -0.0002 -0.6053 -0.0039 0.0010 -0.0012 0.0106 -0.0004 -0.7725 -0.0021 0.0005 -0.1889 0.0147 -0.0009 -0.0001 -0.0012 -0.0093 0.0053 -0.0119 -0.0034 0.0217 0.0029 0.0023 0.0061 1568. (0.03588) BD*( 1) C 34 - C 42 ( 49.03%) 0.7002* C 34 s( 31.75%)p 2.15( 68.21%)d 0.00( 0.03%) 0.0002 -0.5633 0.0148 0.0001 0.3022 -0.0063 -0.0005 -0.5449 0.0165 -0.0002 0.5414 -0.0219 0.0000 0.0037 0.0037 -0.0107 0.0021 0.0069 0.0083 0.0048 -0.0024 -0.0069 0.0018 ( 50.97%) -0.7139* C 42 s( 27.13%)p 2.68( 72.80%)d 0.00( 0.07%) -0.0002 -0.5209 -0.0036 -0.0005 -0.3141 0.0017 0.0001 0.5477 -0.0001 0.0008 -0.5739 -0.0025 0.0006 0.0099 0.0008 -0.0110 0.0010 0.0197 0.0032 0.0055 -0.0006 -0.0051 0.0009 1569. (0.01780) BD*( 1) C 35 - H 36 ( 39.70%) 0.6301* C 35 s( 27.21%)p 2.67( 72.73%)d 0.00( 0.05%) -0.0005 0.5212 -0.0210 -0.0004 -0.3327 0.0060 0.0022 -0.2238 -0.0096 0.0024 -0.7525 0.0112 0.0047 0.0018 0.0030 0.0143 0.0013 0.0070 0.0037 -0.0022 0.0050 0.0142 0.0048 ( 60.30%) -0.7765* H 36 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0020 0.0014 0.0057 0.0032 0.0130 1570. (0.01664) BD*( 1) C 35 - C 37 ( 49.76%) 0.7054* C 35 s( 36.00%)p 1.78( 63.92%)d 0.00( 0.08%) -0.0001 -0.5996 -0.0203 -0.0014 -0.2831 0.0077 -0.0009 0.5846 0.0398 0.0004 -0.4639 0.0236 -0.0015 0.0096 0.0037 -0.0179 0.0023 0.0123 0.0085 0.0103 -0.0009 -0.0083 0.0031 ( 50.24%) -0.7088* C 37 s( 36.30%)p 1.75( 63.62%)d 0.00( 0.08%) -0.0001 -0.6023 -0.0122 -0.0004 0.3106 -0.0146 -0.0004 -0.5341 -0.0232 -0.0016 0.5025 -0.0342 -0.0010 0.0105 0.0030 -0.0126 0.0009 0.0128 0.0076 0.0167 -0.0036 0.0005 -0.0001 1571. (0.31911) BD*( 2) C 35 - C 37 ( 48.78%) 0.6984* C 35 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 -0.0027 0.0036 0.0002 -0.8992 0.0030 -0.0052 -0.1005 0.0006 -0.0005 0.4255 -0.0005 0.0029 -0.0004 0.0041 -0.0088 -0.0021 -0.0019 -0.0023 -0.0070 -0.0018 0.0093 0.0026 ( 51.22%) -0.7157* C 37 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0013 0.0032 0.0003 -0.8915 -0.0046 -0.0069 -0.1061 -0.0006 -0.0003 0.4399 0.0019 0.0036 -0.0131 -0.0036 0.0024 0.0014 0.0068 0.0023 0.0040 0.0022 -0.0016 -0.0025 1572. (0.01579) BD*( 1) C 37 - H 38 ( 39.80%) 0.6308* C 37 s( 27.52%)p 2.63( 72.42%)d 0.00( 0.05%) -0.0004 0.5242 -0.0200 -0.0005 -0.0165 0.0003 0.0005 -0.8184 -0.0132 0.0067 -0.2322 -0.0037 0.0018 -0.0006 0.0014 0.0026 -0.0037 0.0097 0.0030 -0.0186 -0.0025 -0.0069 -0.0043 ( 60.20%) -0.7759* H 38 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0003 0.0013 0.0002 0.0151 0.0043 1573. (0.01681) BD*( 1) C 37 - C 39 ( 50.23%) 0.7087* C 37 s( 36.04%)p 1.77( 63.88%)d 0.00( 0.08%) 0.0001 0.6002 0.0110 0.0003 0.3281 -0.0110 -0.0003 0.1771 0.0381 0.0019 0.7057 -0.0168 -0.0002 0.0035 0.0024 0.0173 0.0010 0.0129 0.0015 -0.0080 0.0068 0.0127 0.0049 ( 49.77%) -0.7055* C 39 s( 35.61%)p 1.81( 64.31%)d 0.00( 0.08%) 0.0001 0.5964 0.0189 0.0013 -0.3117 0.0021 -0.0005 -0.2430 -0.0456 0.0004 -0.6962 0.0008 -0.0013 -0.0011 0.0042 0.0212 0.0004 0.0026 0.0058 -0.0048 0.0053 0.0160 0.0047 1574. (0.01762) BD*( 1) C 39 - H 40 ( 39.57%) 0.6291* C 39 s( 27.34%)p 2.66( 72.61%)d 0.00( 0.05%) -0.0005 0.5224 -0.0206 -0.0004 0.3265 -0.0066 -0.0017 -0.5991 -0.0017 0.0046 0.5103 -0.0127 -0.0032 -0.0095 -0.0035 0.0110 -0.0003 -0.0124 -0.0077 -0.0088 0.0011 0.0027 -0.0013 ( 60.43%) -0.7773* H 40 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0018 0.0014 -0.0060 0.0100 -0.0090 1575. (0.02955) BD*( 1) C 39 - C 41 ( 50.37%) 0.7097* C 39 s( 36.91%)p 1.71( 63.01%)d 0.00( 0.08%) 0.0001 0.6075 0.0049 -0.0009 0.0307 0.0070 -0.0009 0.7544 -0.0061 0.0006 0.2443 0.0168 -0.0005 -0.0035 0.0020 0.0078 -0.0046 0.0057 0.0049 -0.0230 -0.0035 -0.0054 -0.0056 ( 49.63%) -0.7045* C 41 s( 33.21%)p 2.01( 66.71%)d 0.00( 0.08%) -0.0002 0.5762 0.0045 0.0015 -0.0051 0.0028 -0.0004 -0.7799 -0.0112 -0.0020 -0.2423 0.0101 0.0001 0.0018 -0.0003 0.0064 0.0078 0.0135 -0.0018 -0.0201 0.0017 -0.0040 0.0078 1576. (0.31471) BD*( 2) C 39 - C 41 ( 48.04%) 0.6931* C 39 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 -0.0030 -0.0035 -0.0006 0.8913 0.0001 0.0054 0.1086 0.0001 -0.0007 -0.4397 0.0018 -0.0034 0.0148 0.0024 -0.0009 0.0000 -0.0071 -0.0011 -0.0033 -0.0012 0.0013 0.0006 ( 51.96%) -0.7208* C 41 s( 0.02%)p99.99( 99.95%)d 1.58( 0.03%) -0.0001 0.0127 -0.0071 0.0001 0.8916 0.0034 -0.0004 0.1373 -0.0010 0.0011 -0.4308 0.0033 0.0003 -0.0117 0.0043 -0.0090 -0.0003 0.0041 -0.0023 -0.0017 -0.0008 0.0083 0.0003 1577. (0.03589) BD*( 1) C 41 - C 52 ( 49.15%) 0.7011* C 41 s( 31.35%)p 2.19( 68.62%)d 0.00( 0.04%) 0.0001 -0.5597 0.0142 0.0003 -0.3221 0.0085 -0.0004 -0.1811 0.0086 -0.0003 -0.7408 0.0271 0.0004 0.0014 0.0038 -0.0111 0.0001 -0.0005 0.0040 0.0037 0.0075 -0.0120 0.0033 ( 50.85%) -0.7131* C 52 s( 27.28%)p 2.66( 72.66%)d 0.00( 0.06%) -0.0003 -0.5223 -0.0020 -0.0005 0.3058 -0.0067 -0.0005 0.1818 0.0002 0.0016 0.7746 -0.0002 0.0002 -0.0034 0.0000 -0.0147 -0.0002 -0.0078 -0.0022 -0.0030 -0.0029 -0.0181 -0.0002 1578. (0.02305) BD*( 1) C 42 - H 43 ( 38.30%) 0.6189* C 42 s( 22.43%)p 3.45( 77.49%)d 0.00( 0.08%) 0.0003 -0.4733 0.0165 0.0005 -0.1265 0.0151 -0.0013 -0.8222 0.0099 0.0006 -0.2866 0.0173 -0.0002 -0.0083 -0.0025 -0.0035 -0.0012 -0.0168 -0.0025 0.0198 0.0022 0.0069 -0.0008 ( 61.70%) -0.7855* H 43 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0011 -0.0008 0.0019 0.0114 0.0064 1579. (0.02111) BD*( 1) C 42 - C 44 ( 48.84%) 0.6988* C 42 s( 25.20%)p 2.97( 74.76%)d 0.00( 0.04%) -0.0002 -0.5019 -0.0094 -0.0001 0.8493 0.0097 0.0019 0.1210 -0.0182 0.0014 0.1059 0.0001 0.0002 -0.0072 -0.0017 -0.0032 -0.0007 -0.0011 0.0008 -0.0158 0.0007 0.0101 -0.0023 ( 51.16%) -0.7153* C 44 s( 30.13%)p 2.32( 69.81%)d 0.00( 0.06%) -0.0007 -0.5489 -0.0055 -0.0017 -0.8225 0.0009 0.0027 -0.1066 0.0059 -0.0023 -0.1007 -0.0076 -0.0034 -0.0032 -0.0011 -0.0055 -0.0001 0.0000 -0.0001 -0.0198 -0.0005 0.0114 0.0004 1580. (0.01770) BD*( 1) C 42 - C 48 ( 49.12%) 0.7008* C 42 s( 25.23%)p 2.96( 74.73%)d 0.00( 0.04%) -0.0001 -0.5023 -0.0074 0.0000 -0.4040 -0.0008 -0.0010 0.0863 -0.0171 0.0006 0.7591 0.0104 0.0019 0.0025 0.0015 0.0137 -0.0030 -0.0043 -0.0001 -0.0030 -0.0007 -0.0113 0.0003 ( 50.88%) -0.7133* C 48 s( 30.07%)p 2.32( 69.87%)d 0.00( 0.07%) -0.0005 -0.5483 -0.0014 -0.0016 0.3896 -0.0106 -0.0023 -0.0546 0.0034 -0.0015 -0.7374 -0.0054 0.0015 0.0012 0.0001 0.0181 0.0001 -0.0010 -0.0007 -0.0044 -0.0003 -0.0177 0.0004 1581. (0.00920) BD*( 1) C 44 - H 45 ( 40.57%) 0.6370* C 44 s( 22.82%)p 3.38( 77.09%)d 0.00( 0.09%) -0.0001 0.4777 -0.0034 -0.0007 -0.1756 0.0166 -0.0023 -0.7976 -0.0028 -0.0032 -0.3217 0.0003 -0.0017 0.0025 0.0044 0.0018 0.0011 0.0166 0.0012 -0.0232 -0.0001 -0.0084 -0.0008 ( 59.43%) -0.7709* H 45 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0017 0.0006 0.0034 0.0141 0.0052 1582. (0.00702) BD*( 1) C 44 - H 46 ( 40.06%) 0.6329* C 44 s( 22.63%)p 3.42( 77.28%)d 0.00( 0.09%) 0.0001 -0.4757 -0.0016 0.0005 0.3232 -0.0105 0.0019 -0.5859 -0.0060 -0.0016 0.5700 0.0060 0.0025 0.0082 0.0036 -0.0078 -0.0027 0.0239 -0.0003 0.0127 -0.0014 -0.0046 -0.0004 ( 59.94%) -0.7742* H 46 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0011 -0.0004 -0.0059 0.0108 -0.0100 1583. (0.00821) BD*( 1) C 44 - H 47 ( 39.71%) 0.6301* C 44 s( 24.37%)p 3.10( 75.54%)d 0.00( 0.09%) 0.0000 -0.4937 0.0018 0.0003 0.4324 -0.0151 -0.0039 -0.0890 0.0000 0.0006 -0.7484 -0.0108 0.0037 0.0017 0.0010 0.0192 0.0028 -0.0053 0.0002 -0.0051 0.0007 -0.0208 -0.0002 ( 60.29%) -0.7765* H 47 s( 99.99%)p 0.00( 0.01%) -0.9999 0.0012 -0.0001 -0.0064 0.0023 0.0101 1584. (0.00819) BD*( 1) C 48 - H 49 ( 39.81%) 0.6309* C 48 s( 24.06%)p 3.15( 75.84%)d 0.00( 0.10%) 0.0001 -0.4905 0.0031 0.0006 -0.8600 -0.0066 -0.0012 -0.1089 -0.0026 0.0013 -0.0821 -0.0129 0.0031 -0.0066 -0.0007 -0.0119 0.0018 -0.0006 -0.0005 -0.0220 -0.0031 0.0190 -0.0023 ( 60.19%) -0.7758* H 49 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0000 -0.0003 0.0146 0.0020 0.0019 1585. (0.00702) BD*( 1) C 48 - H 50 ( 40.10%) 0.6332* C 48 s( 22.70%)p 3.40( 77.21%)d 0.00( 0.09%) 0.0001 -0.4765 -0.0020 0.0004 0.2962 0.0081 0.0002 -0.6126 -0.0041 0.0003 0.5557 -0.0097 0.0012 0.0151 -0.0005 -0.0123 -0.0007 0.0192 0.0038 0.0104 0.0002 0.0031 -0.0026 ( 59.90%) -0.7739* H 50 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0011 -0.0004 -0.0054 0.0110 -0.0107 1586. (0.01031) BD*( 1) C 48 - H 51 ( 40.41%) 0.6357* C 48 s( 23.12%)p 3.32( 76.79%)d 0.00( 0.09%) 0.0000 0.4809 0.0012 -0.0005 -0.1399 -0.0092 0.0003 -0.7802 -0.0015 -0.0005 -0.3731 0.0147 -0.0018 0.0100 -0.0008 0.0060 -0.0008 0.0142 0.0046 -0.0207 -0.0014 -0.0107 0.0012 ( 59.59%) -0.7719* H 51 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0019 0.0006 0.0021 0.0138 0.0074 1587. (0.02649) BD*( 1) C 52 - H 53 ( 38.71%) 0.6222* C 52 s( 21.32%)p 3.69( 78.59%)d 0.00( 0.09%) 0.0002 -0.4614 0.0183 0.0006 -0.2034 -0.0024 -0.0002 -0.8621 0.0166 0.0000 -0.0280 -0.0129 0.0006 -0.0100 -0.0005 -0.0003 -0.0005 0.0027 0.0029 0.0231 0.0036 0.0150 0.0026 ( 61.29%) -0.7829* H 53 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0015 -0.0015 0.0028 0.0128 -0.0008 1588. (0.01781) BD*( 1) C 52 - C 54 ( 49.10%) 0.7007* C 52 s( 26.16%)p 2.82( 73.80%)d 0.00( 0.04%) -0.0002 -0.5114 -0.0106 -0.0001 -0.7138 -0.0121 -0.0006 0.4470 -0.0157 0.0014 -0.1679 -0.0096 0.0000 0.0148 -0.0003 -0.0039 0.0009 0.0026 0.0005 -0.0060 0.0015 0.0092 -0.0031 ( 50.90%) -0.7134* C 54 s( 30.35%)p 2.29( 69.59%)d 0.00( 0.06%) -0.0005 -0.5509 -0.0039 -0.0017 0.7084 -0.0009 -0.0030 -0.4023 0.0038 -0.0011 0.1789 0.0119 0.0019 0.0169 0.0007 -0.0089 0.0004 0.0040 0.0002 -0.0113 0.0004 0.0102 0.0002 1589. (0.01938) BD*( 1) C 52 - C 58 ( 49.00%) 0.7000* C 52 s( 25.23%)p 2.96( 74.73%)d 0.00( 0.04%) -0.0002 -0.5022 -0.0090 0.0000 0.5958 -0.0006 0.0016 0.1476 -0.0124 0.0014 -0.6083 -0.0183 -0.0015 -0.0051 0.0000 0.0155 -0.0039 0.0041 0.0006 -0.0084 -0.0016 -0.0031 -0.0007 ( 51.00%) -0.7141* C 58 s( 30.33%)p 2.30( 69.60%)d 0.00( 0.07%) -0.0007 -0.5507 -0.0066 -0.0016 -0.5859 0.0059 0.0028 -0.1351 0.0045 -0.0021 0.5783 0.0074 -0.0028 -0.0045 -0.0001 0.0218 -0.0001 0.0046 -0.0001 -0.0107 0.0001 -0.0076 0.0010 1590. (0.01071) BD*( 1) C 54 - H 55 ( 40.47%) 0.6362* C 54 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 0.4800 -0.0012 -0.0007 -0.1401 -0.0154 0.0014 -0.8599 0.0035 -0.0034 0.0971 -0.0040 0.0015 0.0142 -0.0027 -0.0010 0.0000 -0.0025 -0.0021 -0.0224 -0.0028 -0.0126 -0.0016 ( 59.53%) -0.7716* H 55 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0020 0.0006 0.0015 0.0156 -0.0022 1591. (0.00661) BD*( 1) C 54 - H 56 ( 39.89%) 0.6316* C 54 s( 22.65%)p 3.41( 77.27%)d 0.00( 0.09%) 0.0001 -0.4759 -0.0009 0.0004 -0.3465 0.0094 -0.0015 -0.2941 -0.0088 -0.0003 -0.7523 -0.0059 -0.0030 -0.0065 -0.0015 -0.0125 -0.0029 -0.0180 0.0009 0.0032 -0.0022 -0.0183 -0.0007 ( 60.11%) -0.7753* H 56 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0007 -0.0004 0.0058 0.0052 0.0135 1592. (0.00701) BD*( 1) C 54 - H 57 ( 39.86%) 0.6314* C 54 s( 23.92%)p 3.18( 75.99%)d 0.00( 0.09%) 0.0000 -0.4891 0.0025 0.0004 -0.5977 0.0118 0.0046 -0.1050 -0.0081 -0.0001 0.6255 0.0119 -0.0022 -0.0043 -0.0013 0.0248 0.0019 0.0068 -0.0014 -0.0098 -0.0011 -0.0102 -0.0002 ( 60.14%) -0.7755* H 57 s( 99.99%)p 0.00( 0.01%) -0.9999 -0.0009 -0.0003 0.0087 0.0011 -0.0081 1593. (0.00677) BD*( 1) C 58 - H 59 ( 39.85%) 0.6313* C 58 s( 23.87%)p 3.19( 76.03%)d 0.00( 0.10%) -0.0001 0.4885 -0.0035 -0.0004 -0.7113 0.0007 -0.0025 0.4833 0.0053 0.0004 -0.1433 -0.0127 0.0026 -0.0241 -0.0011 0.0143 -0.0030 -0.0066 -0.0001 0.0050 0.0022 -0.0134 -0.0002 ( 60.15%) -0.7755* H 59 s( 99.99%)p 0.00( 0.01%) 0.9999 0.0006 0.0000 0.0094 -0.0075 0.0018 1594. (0.00745) BD*( 1) C 58 - H 60 ( 40.24%) 0.6344* C 58 s( 22.75%)p 3.39( 77.16%)d 0.00( 0.09%) 0.0001 -0.4770 -0.0020 0.0005 -0.2990 -0.0131 0.0006 -0.1959 -0.0026 -0.0001 -0.8023 0.0032 -0.0004 -0.0061 0.0015 -0.0204 0.0002 -0.0110 -0.0008 -0.0040 0.0016 -0.0163 -0.0046 ( 59.76%) -0.7730* H 60 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0014 -0.0003 0.0056 0.0036 0.0147 1595. (0.00893) BD*( 1) C 58 - H 61 ( 40.43%) 0.6359* C 58 s( 23.02%)p 3.34( 76.89%)d 0.00( 0.09%) 0.0000 0.4797 -0.0037 -0.0007 -0.2448 0.0113 -0.0010 -0.8418 -0.0012 -0.0010 0.0116 -0.0124 0.0012 0.0093 0.0037 0.0027 -0.0011 0.0055 -0.0034 -0.0243 -0.0007 -0.0138 -0.0023 ( 59.57%) -0.7718* H 61 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0019 0.0004 0.0048 0.0152 0.0002 1596. (0.03097) BD*( 1) C 62 - C 63 ( 50.63%) 0.7115* C 62 s( 37.42%)p 1.67( 62.49%)d 0.00( 0.09%) -0.0001 0.6116 0.0148 0.0006 -0.0584 -0.0027 0.0022 -0.6526 -0.0176 -0.0003 -0.4419 -0.0009 -0.0007 -0.0079 0.0020 -0.0070 0.0014 0.0226 0.0062 -0.0056 -0.0096 -0.0092 0.0024 ( 49.37%) -0.7027* C 63 s( 35.62%)p 1.81( 64.32%)d 0.00( 0.06%) 0.0000 0.5968 0.0106 -0.0012 -0.0218 -0.0134 0.0003 0.6788 -0.0055 0.0015 0.4262 0.0053 0.0013 0.0031 -0.0039 0.0014 -0.0016 0.0190 0.0006 -0.0091 -0.0087 -0.0054 0.0047 1597. (0.37865) BD*( 2) C 62 - C 63 ( 47.52%) 0.6893* C 62 s( 0.01%)p99.99( 99.97%)d 1.38( 0.02%) 0.0003 0.0047 -0.0102 0.0003 -0.0325 0.0025 -0.0007 0.5646 0.0178 0.0021 -0.8241 -0.0216 -0.0022 0.0010 0.0030 -0.0011 -0.0031 0.0037 0.0040 0.0035 0.0040 0.0073 0.0064 ( 52.48%) -0.7245* C 63 s( 0.02%)p99.99( 99.95%)d 1.99( 0.03%) -0.0002 -0.0104 -0.0068 -0.0008 -0.0617 0.0008 0.0002 0.5359 0.0017 -0.0001 -0.8416 -0.0175 0.0000 0.0034 -0.0001 -0.0071 -0.0001 -0.0079 -0.0012 -0.0079 -0.0012 -0.0102 -0.0036 1598. (0.02970) BD*( 1) C 62 - C 70 ( 50.54%) 0.7109* C 62 s( 36.80%)p 1.71( 63.10%)d 0.00( 0.09%) -0.0001 0.6064 0.0184 0.0002 0.6730 0.0161 0.0023 0.3582 0.0065 -0.0016 0.2222 0.0074 -0.0011 0.0027 0.0096 0.0016 0.0064 0.0131 -0.0019 0.0195 0.0036 -0.0150 -0.0017 ( 49.46%) -0.7033* C 70 s( 35.66%)p 1.80( 64.28%)d 0.00( 0.06%) 0.0000 0.5970 0.0127 -0.0008 -0.7158 -0.0082 -0.0020 -0.2931 0.0094 -0.0015 -0.2103 0.0112 -0.0005 0.0124 0.0038 0.0082 0.0037 0.0109 -0.0079 0.0094 0.0050 -0.0092 -0.0005 1599. (0.02854) BD*( 1) C 63 - C 64 ( 49.59%) 0.7042* C 63 s( 33.04%)p 2.02( 66.88%)d 0.00( 0.08%) 0.0002 -0.5748 -0.0064 -0.0012 -0.7061 -0.0029 -0.0011 0.3186 0.0104 0.0008 0.2617 0.0071 0.0012 0.0078 0.0091 0.0097 0.0047 -0.0095 0.0051 -0.0156 -0.0006 0.0126 -0.0031 ( 50.41%) -0.7100* C 64 s( 36.71%)p 1.72( 63.21%)d 0.00( 0.08%) -0.0002 -0.6059 -0.0044 0.0006 0.6966 0.0086 -0.0007 -0.2829 0.0137 -0.0011 -0.2577 0.0098 -0.0005 0.0103 0.0060 0.0105 0.0042 -0.0158 0.0046 -0.0092 -0.0037 0.0110 -0.0004 1600. (0.03573) BD*( 1) C 63 - C 71 ( 49.52%) 0.7037* C 63 s( 31.26%)p 2.20( 68.70%)d 0.00( 0.04%) -0.0001 -0.5590 0.0130 -0.0001 0.7042 -0.0225 -0.0003 0.3869 -0.0096 -0.0003 0.2018 -0.0118 -0.0007 -0.0087 -0.0064 -0.0053 -0.0029 -0.0105 0.0064 -0.0032 -0.0032 0.0074 -0.0005 ( 50.48%) -0.7105* C 71 s( 27.56%)p 2.63( 72.37%)d 0.00( 0.06%) -0.0003 -0.5250 -0.0028 -0.0008 -0.7158 0.0014 0.0000 -0.4121 0.0015 0.0010 -0.2037 -0.0035 0.0002 -0.0178 -0.0012 -0.0091 -0.0019 -0.0050 0.0021 -0.0094 -0.0011 0.0111 0.0012 1601. (0.01747) BD*( 1) C 64 - H 65 ( 39.92%) 0.6318* C 64 s( 27.16%)p 2.68( 72.79%)d 0.00( 0.05%) -0.0004 0.5207 -0.0213 -0.0004 -0.0118 0.0121 -0.0009 -0.7007 0.0082 0.0050 -0.4863 0.0043 0.0035 0.0014 -0.0006 0.0004 0.0004 0.0191 0.0024 -0.0092 -0.0075 -0.0032 0.0031 ( 60.08%) -0.7751* H 65 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0018 0.0014 0.0006 0.0123 0.0084 1602. (0.01637) BD*( 1) C 64 - C 66 ( 49.77%) 0.7055* C 64 s( 35.99%)p 1.78( 63.93%)d 0.00( 0.08%) -0.0001 -0.5996 -0.0201 -0.0011 -0.7124 -0.0297 -0.0003 -0.3239 0.0268 -0.0010 -0.1579 0.0202 -0.0007 -0.0146 -0.0052 -0.0070 -0.0035 -0.0157 0.0061 -0.0073 -0.0050 0.0126 0.0006 ( 50.23%) -0.7087* C 66 s( 36.11%)p 1.77( 63.81%)d 0.00( 0.08%) -0.0001 -0.6008 -0.0120 -0.0004 0.6803 0.0124 0.0009 0.3574 -0.0337 -0.0014 0.2138 -0.0244 -0.0010 -0.0105 -0.0062 -0.0036 -0.0046 -0.0104 0.0044 -0.0167 -0.0009 0.0147 -0.0005 1603. (0.34106) BD*( 2) C 64 - C 66 ( 49.34%) 0.7024* C 64 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) -0.0001 -0.0025 -0.0014 0.0000 -0.0746 -0.0002 -0.0009 0.5681 -0.0010 0.0035 -0.8194 0.0011 -0.0054 0.0018 0.0032 -0.0043 -0.0048 -0.0052 -0.0014 -0.0064 -0.0015 -0.0100 -0.0018 ( 50.66%) -0.7118* C 66 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.02%) 0.0000 -0.0037 -0.0021 0.0000 -0.0537 -0.0005 -0.0002 0.5814 0.0020 0.0047 -0.8117 -0.0035 -0.0072 -0.0082 -0.0031 0.0116 0.0046 0.0009 0.0008 0.0012 0.0011 -0.0014 0.0011 1604. (0.01579) BD*( 1) C 66 - H 67 ( 39.93%) 0.6319* C 66 s( 27.54%)p 2.63( 72.41%)d 0.00( 0.05%) 0.0004 -0.5243 0.0214 0.0005 -0.7278 -0.0125 0.0060 0.3327 0.0058 -0.0029 0.2888 0.0047 -0.0024 0.0117 0.0046 0.0103 0.0034 -0.0076 0.0029 -0.0111 -0.0022 0.0085 -0.0003 ( 60.07%) -0.7750* H 67 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0002 -0.0013 0.0134 -0.0061 -0.0054 1605. (0.01653) BD*( 1) C 66 - C 68 ( 50.22%) 0.7087* C 66 s( 36.22%)p 1.76( 63.70%)d 0.00( 0.08%) 0.0001 0.6017 0.0127 0.0002 0.0465 -0.0427 -0.0018 0.6495 -0.0083 -0.0002 0.4594 -0.0036 0.0000 -0.0033 0.0011 -0.0038 0.0019 0.0249 0.0008 -0.0069 -0.0078 -0.0047 0.0039 ( 49.78%) -0.7055* C 68 s( 35.96%)p 1.78( 63.96%)d 0.00( 0.08%) 0.0001 0.5993 0.0197 0.0012 0.0235 0.0445 -0.0011 -0.6386 -0.0089 -0.0010 -0.4787 -0.0063 -0.0007 0.0060 -0.0022 0.0038 -0.0012 0.0247 0.0021 -0.0059 -0.0085 -0.0056 0.0041 1606. (0.01758) BD*( 1) C 68 - H 69 ( 39.86%) 0.6314* C 68 s( 27.15%)p 2.68( 72.80%)d 0.00( 0.05%) 0.0004 -0.5206 0.0203 0.0003 -0.7461 0.0016 0.0055 -0.3441 0.0122 0.0015 -0.2294 0.0092 0.0012 -0.0123 -0.0055 -0.0071 -0.0039 -0.0083 0.0037 -0.0103 -0.0033 0.0098 0.0007 ( 60.14%) -0.7755* H 69 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0019 -0.0014 0.0124 0.0065 0.0040 1607. (0.02889) BD*( 1) C 68 - C 70 ( 50.36%) 0.7096* C 68 s( 36.75%)p 1.72( 63.18%)d 0.00( 0.07%) 0.0002 0.6062 0.0036 -0.0009 -0.6637 0.0106 -0.0010 0.3356 0.0112 -0.0008 0.2800 0.0103 -0.0003 -0.0080 -0.0067 -0.0076 -0.0049 0.0123 -0.0034 0.0150 0.0022 -0.0126 0.0002 ( 49.64%) -0.7046* C 70 s( 33.09%)p 2.02( 66.83%)d 0.00( 0.08%) -0.0001 0.5752 0.0037 0.0011 0.6958 0.0116 0.0013 -0.3355 0.0011 -0.0003 -0.2672 0.0058 -0.0003 -0.0134 -0.0056 -0.0112 -0.0042 0.0138 -0.0078 0.0088 0.0043 -0.0092 0.0000 1608. (0.34472) BD*( 2) C 68 - C 70 ( 48.84%) 0.6988* C 68 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0019 -0.0029 -0.0006 -0.0323 0.0019 0.0000 0.5998 -0.0007 0.0039 -0.7993 0.0001 -0.0045 -0.0099 -0.0016 0.0134 0.0023 -0.0016 0.0008 -0.0009 0.0003 -0.0023 0.0002 ( 51.16%) -0.7153* C 70 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0001 0.0017 -0.0066 -0.0004 -0.0138 0.0006 0.0001 0.6069 0.0053 0.0005 -0.7944 -0.0009 0.0007 0.0043 0.0031 -0.0066 -0.0032 0.0026 0.0011 0.0061 0.0006 0.0129 0.0012 1609. (0.03578) BD*( 1) C 70 - C 81 ( 49.50%) 0.7036* C 70 s( 31.19%)p 2.20( 68.77%)d 0.00( 0.04%) 0.0000 -0.5584 0.0128 0.0003 -0.0485 0.0049 0.0002 -0.6573 0.0217 0.0003 -0.5025 0.0149 0.0004 -0.0044 0.0004 -0.0034 0.0003 -0.0161 -0.0003 0.0025 0.0088 0.0029 -0.0047 ( 50.50%) -0.7106* C 81 s( 27.46%)p 2.64( 72.48%)d 0.00( 0.06%) -0.0003 -0.5241 -0.0026 -0.0006 0.0679 0.0028 -0.0011 0.6539 -0.0048 -0.0002 0.5408 -0.0015 0.0000 -0.0029 0.0007 -0.0028 -0.0001 -0.0202 -0.0007 0.0124 0.0035 -0.0018 -0.0005 1610. (0.02482) BD*( 1) C 71 - H 72 ( 39.14%) 0.6256* C 71 s( 21.65%)p 3.61( 78.26%)d 0.00( 0.08%) -0.0002 0.4650 -0.0175 -0.0008 -0.6710 0.0059 0.0011 0.3462 -0.0194 0.0005 0.4606 -0.0084 0.0003 -0.0149 -0.0018 -0.0198 -0.0022 0.0118 0.0021 0.0084 -0.0001 -0.0012 0.0001 ( 60.86%) -0.7802* H 72 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0011 0.0008 0.0093 -0.0060 -0.0080 1611. (0.01797) BD*( 1) C 71 - C 73 ( 49.12%) 0.7009* C 71 s( 25.49%)p 2.92( 74.48%)d 0.00( 0.03%) -0.0002 -0.5048 -0.0115 0.0000 -0.0548 0.0166 -0.0015 0.8373 0.0061 0.0020 -0.2005 -0.0115 -0.0007 0.0039 0.0004 -0.0003 -0.0022 0.0072 -0.0022 0.0134 -0.0027 0.0083 -0.0004 ( 50.88%) -0.7133* C 73 s( 30.41%)p 2.29( 69.52%)d 0.00( 0.07%) -0.0006 -0.5514 -0.0042 -0.0018 0.0250 -0.0068 0.0019 -0.8093 -0.0028 0.0019 0.1988 0.0000 -0.0017 0.0005 0.0003 -0.0012 0.0007 0.0125 -0.0014 0.0214 -0.0006 0.0109 -0.0007 1612. (0.01976) BD*( 1) C 71 - C 77 ( 49.22%) 0.7016* C 71 s( 25.31%)p 2.95( 74.65%)d 0.00( 0.05%) -0.0002 -0.5030 -0.0069 -0.0001 0.1817 0.0141 -0.0005 -0.0904 -0.0006 -0.0004 0.8397 0.0044 0.0028 0.0014 -0.0021 -0.0054 0.0015 0.0049 -0.0002 0.0005 0.0024 -0.0203 0.0000 ( 50.78%) -0.7126* C 77 s( 30.04%)p 2.33( 69.91%)d 0.00( 0.05%) -0.0006 -0.5481 -0.0049 -0.0015 -0.1823 0.0016 0.0021 0.0883 -0.0102 -0.0013 -0.8111 0.0015 -0.0006 0.0016 -0.0005 -0.0092 -0.0001 0.0042 -0.0004 -0.0017 0.0006 -0.0200 -0.0019 1613. (0.01032) BD*( 1) C 73 - H 74 ( 40.47%) 0.6361* C 73 s( 23.15%)p 3.32( 76.76%)d 0.00( 0.09%) 0.0000 -0.4812 0.0018 0.0006 -0.6021 -0.0012 0.0003 0.4251 -0.0152 0.0018 0.4734 0.0076 0.0003 0.0135 0.0032 0.0203 0.0009 -0.0122 -0.0019 -0.0109 0.0018 -0.0017 0.0019 ( 59.53%) -0.7716* H 74 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0020 -0.0005 0.0110 -0.0085 -0.0081 1614. (0.00717) BD*( 1) C 73 - H 75 ( 39.99%) 0.6324* C 73 s( 23.11%)p 3.32( 76.80%)d 0.00( 0.10%) 0.0001 -0.4807 0.0006 0.0005 0.7725 0.0066 0.0003 0.3868 -0.0083 0.0022 0.1464 0.0072 0.0004 -0.0161 -0.0027 -0.0085 -0.0005 -0.0050 0.0003 -0.0214 0.0018 0.0114 0.0017 ( 60.01%) -0.7747* H 75 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0012 -0.0003 -0.0132 -0.0062 -0.0019 1615. (0.00668) BD*( 1) C 73 - H 76 ( 40.04%) 0.6328* C 73 s( 23.29%)p 3.29( 76.62%)d 0.00( 0.09%) 0.0001 -0.4826 0.0005 0.0005 -0.1975 -0.0032 -0.0018 0.1147 -0.0137 0.0019 -0.8449 -0.0025 0.0005 0.0009 0.0001 -0.0092 -0.0022 -0.0010 0.0038 -0.0033 0.0006 -0.0274 -0.0016 ( 59.96%) -0.7743* H 76 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0008 -0.0003 0.0029 -0.0019 0.0149 1616. (0.00717) BD*( 1) C 77 - H 78 ( 40.08%) 0.6331* C 77 s( 24.08%)p 3.15( 75.83%)d 0.00( 0.09%) 0.0001 -0.4907 0.0034 0.0005 0.0814 0.0016 0.0010 -0.8379 -0.0105 0.0021 0.2218 -0.0153 -0.0020 0.0046 0.0002 0.0000 -0.0003 0.0101 0.0018 0.0250 0.0006 0.0134 0.0010 ( 59.92%) -0.7741* H 78 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0004 -0.0004 -0.0020 0.0114 -0.0046 1617. (0.00778) BD*( 1) C 77 - H 79 ( 39.94%) 0.6320* C 77 s( 22.87%)p 3.37( 77.04%)d 0.00( 0.09%) -0.0001 0.4782 -0.0005 -0.0003 -0.7528 -0.0028 0.0022 -0.4054 -0.0008 0.0027 -0.1977 0.0144 0.0014 0.0215 0.0005 0.0065 0.0017 0.0043 0.0009 0.0143 0.0005 -0.0130 -0.0019 ( 60.06%) -0.7750* H 79 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0015 0.0005 0.0108 0.0047 0.0046 1618. (0.01060) BD*( 1) C 77 - H 80 ( 40.26%) 0.6345* C 77 s( 22.97%)p 3.35( 76.95%)d 0.00( 0.09%) 0.0000 -0.4792 -0.0004 0.0006 -0.6263 -0.0085 -0.0035 0.3527 0.0054 0.0035 0.5024 -0.0138 0.0045 0.0155 0.0004 0.0186 0.0029 -0.0105 -0.0011 -0.0106 0.0003 0.0068 -0.0035 ( 59.74%) -0.7729* H 80 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0020 -0.0006 0.0116 -0.0063 -0.0095 1619. (0.02585) BD*( 1) C 81 - H 82 ( 39.20%) 0.6261* C 81 s( 21.36%)p 3.68( 78.56%)d 0.00( 0.08%) -0.0002 0.4619 -0.0167 -0.0007 -0.8140 0.0197 0.0005 0.2641 0.0036 -0.0008 0.2297 0.0029 -0.0002 -0.0111 -0.0009 -0.0103 -0.0015 0.0025 0.0003 0.0200 0.0040 -0.0119 -0.0020 ( 60.80%) -0.7797* H 82 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0013 0.0009 0.0133 -0.0034 -0.0025 1620. (0.01845) BD*( 1) C 81 - C 112 ( 49.16%) 0.7011* C 81 s( 25.86%)p 2.87( 74.10%)d 0.00( 0.04%) -0.0002 -0.5084 -0.0091 -0.0001 -0.4016 0.0110 -0.0017 -0.6678 -0.0181 -0.0014 0.3653 -0.0022 0.0020 -0.0120 -0.0017 0.0076 -0.0015 0.0116 -0.0019 0.0052 -0.0014 0.0042 -0.0008 ( 50.84%) -0.7130* C 112 s( 30.32%)p 2.30( 69.62%)d 0.00( 0.06%) -0.0006 -0.5506 -0.0054 -0.0015 0.3719 -0.0014 0.0030 0.6621 0.0062 -0.0025 -0.3455 0.0098 0.0018 -0.0152 -0.0003 0.0078 0.0002 0.0134 0.0005 0.0105 -0.0003 0.0060 0.0001 1621. (0.01852) BD*( 1) C 81 - C 116 ( 49.24%) 0.7017* C 81 s( 25.31%)p 2.95( 74.65%)d 0.00( 0.04%) -0.0002 -0.5030 -0.0082 -0.0001 -0.4118 0.0114 -0.0008 0.2364 -0.0062 0.0014 -0.7215 -0.0190 -0.0020 0.0062 -0.0006 -0.0129 -0.0009 0.0080 -0.0012 -0.0020 0.0024 -0.0094 0.0020 ( 50.76%) -0.7124* C 116 s( 30.65%)p 2.26( 69.28%)d 0.00( 0.07%) -0.0006 -0.5536 -0.0059 -0.0016 0.3839 -0.0044 0.0006 -0.2268 0.0069 -0.0001 0.7027 0.0074 -0.0035 0.0056 -0.0005 -0.0170 0.0005 0.0101 -0.0001 -0.0017 -0.0006 -0.0167 0.0017 1622. (0.03382) BD*( 1) C 83 - C 84 ( 50.74%) 0.7123* C 83 s( 37.30%)p 1.68( 62.62%)d 0.00( 0.08%) -0.0003 0.6104 0.0205 0.0003 0.3285 0.0202 -0.0005 0.1319 -0.0042 0.0027 -0.7071 -0.0217 -0.0007 0.0040 0.0021 -0.0132 -0.0051 -0.0149 -0.0021 -0.0110 0.0056 0.0133 0.0080 ( 49.26%) -0.7018* C 84 s( 35.84%)p 1.79( 64.09%)d 0.00( 0.07%) -0.0001 0.5985 0.0133 -0.0010 -0.2801 0.0114 -0.0013 -0.2173 -0.0153 0.0001 0.7175 0.0009 0.0018 0.0024 -0.0022 -0.0164 -0.0025 -0.0048 0.0059 -0.0018 -0.0058 0.0170 -0.0024 1623. (0.40542) BD*( 2) C 83 - C 84 ( 45.53%) 0.6747* C 83 s( 0.04%)p99.99( 99.93%)d 0.57( 0.03%) 0.0008 -0.0146 0.0152 -0.0001 0.9006 0.0225 0.0014 0.0899 -0.0102 0.0013 0.4238 0.0023 0.0002 0.0005 0.0064 -0.0117 -0.0034 0.0011 0.0020 -0.0039 0.0031 -0.0037 -0.0048 ( 54.47%) -0.7381* C 84 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0005 -0.0029 0.0015 0.0003 0.9248 0.0158 -0.0004 0.0452 -0.0080 -0.0003 0.3766 0.0142 -0.0011 0.0040 0.0018 0.0100 -0.0036 0.0015 -0.0012 -0.0085 -0.0008 0.0102 -0.0028 1624. (0.03103) BD*( 1) C 83 - C 91 ( 50.80%) 0.7128* C 83 s( 36.19%)p 1.76( 63.71%)d 0.00( 0.09%) -0.0002 0.6013 0.0193 0.0004 -0.2789 -0.0093 0.0002 0.5609 0.0170 0.0022 0.4939 0.0215 -0.0012 -0.0115 -0.0043 -0.0130 -0.0013 0.0075 0.0108 -0.0209 0.0010 -0.0038 0.0005 ( 49.20%) -0.7014* C 91 s( 35.53%)p 1.81( 64.39%)d 0.00( 0.08%) 0.0000 0.5959 0.0131 -0.0011 0.2774 0.0019 0.0008 -0.6057 -0.0082 -0.0013 -0.4470 0.0142 -0.0014 -0.0107 0.0020 -0.0141 -0.0064 0.0153 -0.0052 -0.0101 -0.0031 0.0040 0.0051 1625. (0.02977) BD*( 1) C 84 - C 85 ( 49.67%) 0.7048* C 84 s( 32.40%)p 2.08( 67.52%)d 0.00( 0.08%) 0.0003 -0.5692 -0.0061 -0.0012 -0.0509 -0.0074 -0.0004 -0.7912 -0.0068 -0.0011 0.2155 0.0107 0.0007 0.0001 0.0036 0.0049 0.0055 0.0057 -0.0069 0.0234 0.0005 0.0080 -0.0056 ( 50.33%) -0.7094* C 85 s( 36.68%)p 1.72( 63.24%)d 0.00( 0.08%) -0.0002 -0.6056 -0.0037 0.0010 0.0576 -0.0087 0.0004 0.7690 0.0034 -0.0002 -0.1936 0.0150 -0.0009 -0.0031 -0.0015 0.0098 -0.0048 0.0112 0.0039 0.0212 0.0028 0.0018 0.0062 1626. (0.03631) BD*( 1) C 84 - C 92 ( 49.10%) 0.7007* C 84 s( 31.70%)p 2.15( 68.27%)d 0.00( 0.04%) 0.0001 -0.5629 0.0140 0.0001 -0.2508 0.0042 0.0004 0.5688 -0.0162 0.0001 0.5436 -0.0214 -0.0001 0.0026 -0.0039 0.0093 0.0027 -0.0083 0.0080 0.0055 0.0021 -0.0079 -0.0026 ( 50.90%) -0.7135* C 92 s( 27.20%)p 2.67( 72.74%)d 0.00( 0.07%) -0.0002 -0.5215 -0.0039 -0.0005 0.2417 -0.0035 -0.0003 -0.5712 0.0006 -0.0005 -0.5854 -0.0029 0.0005 0.0084 0.0013 0.0088 -0.0008 -0.0203 -0.0028 0.0076 -0.0002 -0.0060 0.0009 1627. (0.01781) BD*( 1) C 85 - H 86 ( 39.73%) 0.6303* C 85 s( 27.17%)p 2.68( 72.78%)d 0.00( 0.05%) -0.0005 0.5208 -0.0210 -0.0003 0.3414 -0.0048 -0.0021 0.1938 0.0102 -0.0022 -0.7572 0.0111 0.0046 0.0020 0.0021 -0.0147 -0.0016 -0.0058 -0.0035 -0.0020 0.0053 0.0146 0.0048 ( 60.27%) -0.7763* H 86 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0021 0.0015 -0.0059 -0.0027 0.0131 1628. (0.01668) BD*( 1) C 85 - C 87 ( 49.78%) 0.7056* C 85 s( 36.01%)p 1.77( 63.91%)d 0.00( 0.08%) -0.0001 -0.5997 -0.0203 -0.0014 0.2314 -0.0093 0.0009 -0.6071 -0.0388 -0.0005 -0.4634 0.0241 -0.0017 0.0080 0.0036 0.0164 -0.0029 -0.0137 -0.0082 0.0120 -0.0003 -0.0085 0.0033 ( 50.22%) -0.7086* C 87 s( 36.28%)p 1.75( 63.64%)d 0.00( 0.08%) -0.0001 -0.6022 -0.0125 -0.0003 -0.2685 0.0161 0.0006 0.5593 0.0217 0.0017 0.4996 -0.0346 -0.0010 0.0079 0.0035 0.0116 -0.0016 -0.0138 -0.0074 0.0185 -0.0031 0.0004 0.0001 1629. (0.32427) BD*( 2) C 85 - C 87 ( 48.90%) 0.6993* C 85 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.02%) 0.0000 0.0040 -0.0021 0.0001 -0.9088 0.0029 -0.0049 -0.0333 0.0003 -0.0001 -0.4155 0.0007 -0.0020 -0.0010 -0.0043 -0.0095 -0.0022 -0.0011 -0.0023 0.0062 0.0013 -0.0089 -0.0026 ( 51.10%) -0.7149* C 87 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0006 -0.0020 -0.0005 -0.8989 -0.0048 -0.0064 -0.0417 0.0003 0.0001 -0.4358 -0.0015 -0.0035 0.0136 0.0039 0.0029 0.0015 0.0065 0.0020 -0.0017 -0.0018 0.0018 0.0020 1630. (0.01584) BD*( 1) C 87 - H 88 ( 39.81%) 0.6309* C 87 s( 27.54%)p 2.63( 72.41%)d 0.00( 0.05%) 0.0004 -0.5243 0.0204 0.0003 -0.0778 -0.0007 0.0009 -0.8133 -0.0134 0.0063 0.2375 0.0040 -0.0017 -0.0022 -0.0018 0.0032 -0.0034 0.0097 0.0034 0.0184 0.0023 0.0068 0.0042 ( 60.19%) -0.7758* H 88 s( 99.98%)p 0.00( 0.02%) -0.9999 0.0003 -0.0013 0.0014 0.0150 -0.0044 1631. (0.01678) BD*( 1) C 87 - C 89 ( 50.22%) 0.7087* C 87 s( 36.04%)p 1.77( 63.88%)d 0.00( 0.08%) 0.0001 0.6002 0.0112 0.0002 -0.3364 0.0080 0.0002 -0.1473 -0.0390 -0.0021 0.7086 -0.0167 0.0000 0.0046 0.0013 -0.0183 -0.0011 -0.0115 -0.0014 -0.0073 0.0071 0.0129 0.0049 ( 49.78%) -0.7055* C 89 s( 35.70%)p 1.80( 64.22%)d 0.00( 0.08%) 0.0001 0.5972 0.0190 0.0014 0.3316 0.0009 0.0006 0.2165 0.0455 -0.0006 -0.6952 0.0008 -0.0014 -0.0005 0.0034 -0.0213 -0.0007 -0.0010 -0.0057 -0.0049 0.0060 0.0161 0.0046 1632. (0.01767) BD*( 1) C 89 - H 90 ( 39.66%) 0.6297* C 89 s( 27.28%)p 2.66( 72.67%)d 0.00( 0.05%) 0.0005 -0.5219 0.0207 0.0004 0.2840 -0.0068 -0.0013 -0.6235 -0.0013 0.0047 -0.5069 0.0129 0.0031 0.0082 0.0035 0.0101 -0.0011 -0.0132 -0.0076 0.0101 -0.0007 -0.0026 0.0014 ( 60.34%) -0.7768* H 90 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0018 -0.0014 -0.0052 0.0103 0.0090 1633. (0.02962) BD*( 1) C 89 - C 91 ( 50.36%) 0.7096* C 89 s( 36.88%)p 1.71( 63.05%)d 0.00( 0.07%) 0.0001 0.6073 0.0050 -0.0009 -0.0891 -0.0068 0.0007 -0.7492 0.0063 -0.0008 0.2467 0.0164 -0.0005 -0.0001 0.0025 -0.0084 0.0044 -0.0051 -0.0053 -0.0230 -0.0030 -0.0053 -0.0055 ( 49.64%) -0.7046* C 91 s( 33.16%)p 2.01( 66.76%)d 0.00( 0.08%) -0.0002 0.5758 0.0048 0.0015 0.0606 -0.0023 0.0004 0.7765 0.0114 0.0020 -0.2464 0.0087 0.0000 0.0046 -0.0006 -0.0076 -0.0080 -0.0133 0.0022 -0.0200 0.0013 -0.0042 0.0075 1634. (0.31994) BD*( 2) C 89 - C 91 ( 48.23%) 0.6945* C 89 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0001 -0.0041 -0.0033 -0.0005 -0.8948 -0.0001 -0.0053 -0.0432 -0.0002 0.0009 -0.4440 0.0016 -0.0030 0.0153 0.0022 0.0014 0.0000 0.0069 0.0013 -0.0012 -0.0007 0.0014 0.0004 ( 51.77%) -0.7195* C 91 s( 0.01%)p99.99( 99.95%)d 2.41( 0.03%) 0.0000 0.0098 -0.0061 0.0001 -0.8950 -0.0047 0.0001 -0.0767 0.0010 -0.0008 -0.4388 0.0023 0.0004 -0.0108 0.0044 0.0088 0.0007 -0.0047 0.0021 -0.0037 -0.0003 0.0081 0.0003 1635. (0.03579) BD*( 1) C 91 - C 102 ( 49.24%) 0.7017* C 91 s( 31.23%)p 2.20( 68.73%)d 0.00( 0.04%) 0.0000 -0.5587 0.0142 0.0003 0.3429 -0.0096 0.0003 0.1530 -0.0062 0.0004 -0.7385 0.0270 0.0005 0.0009 0.0028 0.0120 0.0001 -0.0004 -0.0039 0.0035 0.0079 -0.0118 0.0033 ( 50.76%) -0.7125* C 102 s( 27.34%)p 2.66( 72.60%)d 0.00( 0.06%) -0.0003 -0.5228 -0.0020 -0.0005 -0.3345 0.0059 0.0005 -0.1510 0.0009 -0.0017 0.7690 -0.0005 0.0002 -0.0029 -0.0002 0.0156 0.0002 0.0062 0.0019 -0.0036 -0.0029 -0.0174 -0.0005 1636. (0.02314) BD*( 1) C 92 - H 93 ( 38.43%) 0.6199* C 92 s( 22.44%)p 3.45( 77.48%)d 0.00( 0.08%) -0.0003 0.4734 -0.0162 -0.0006 -0.1595 0.0150 -0.0014 -0.8103 0.0088 0.0008 0.3037 -0.0171 0.0003 0.0097 0.0027 -0.0042 -0.0012 -0.0172 -0.0022 -0.0185 -0.0017 -0.0066 0.0005 ( 61.57%) -0.7847* H 93 s( 99.98%)p 0.00( 0.02%) 0.9999 -0.0011 0.0009 0.0019 0.0114 -0.0069 1637. (0.02078) BD*( 1) C 92 - C 94 ( 48.77%) 0.6983* C 92 s( 25.34%)p 2.94( 74.61%)d 0.00( 0.04%) -0.0002 -0.5033 -0.0096 -0.0001 -0.8454 -0.0086 -0.0020 -0.0659 0.0181 -0.0015 0.1636 -0.0008 0.0003 -0.0043 -0.0013 0.0062 0.0009 0.0015 -0.0004 -0.0161 0.0004 0.0093 -0.0025 ( 51.23%) -0.7158* C 94 s( 30.05%)p 2.33( 69.90%)d 0.00( 0.06%) -0.0006 -0.5481 -0.0056 -0.0016 0.8180 -0.0020 -0.0025 0.0438 -0.0063 0.0028 -0.1669 -0.0069 -0.0030 -0.0006 -0.0007 0.0082 0.0004 -0.0007 0.0003 -0.0198 -0.0006 0.0109 0.0002 1638. (0.01785) BD*( 1) C 92 - C 98 ( 49.17%) 0.7012* C 92 s( 25.01%)p 3.00( 74.95%)d 0.00( 0.04%) -0.0001 -0.5001 -0.0065 -0.0001 0.4480 0.0031 0.0011 -0.1053 0.0165 -0.0007 0.7330 0.0098 0.0020 0.0028 0.0013 -0.0148 0.0028 0.0048 -0.0003 -0.0039 -0.0005 -0.0100 -0.0002 ( 50.83%) -0.7130* C 98 s( 30.05%)p 2.33( 69.88%)d 0.00( 0.07%) -0.0005 -0.5482 -0.0011 -0.0016 -0.4293 0.0097 0.0025 0.0766 -0.0028 0.0013 -0.7131 -0.0060 0.0010 0.0016 0.0002 -0.0194 0.0000 0.0018 0.0007 -0.0052 -0.0004 -0.0157 0.0004 1639. (0.00912) BD*( 1) C 94 - H 95 ( 40.60%) 0.6372* C 94 s( 22.76%)p 3.39( 77.14%)d 0.00( 0.09%) 0.0001 -0.4771 0.0035 0.0007 -0.2146 0.0159 -0.0030 -0.7956 -0.0036 -0.0027 0.3036 -0.0014 0.0020 -0.0049 -0.0046 0.0021 0.0014 0.0150 0.0016 0.0239 -0.0006 0.0089 0.0008 ( 59.40%) -0.7707* H 95 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0016 -0.0005 0.0044 0.0138 -0.0053 1640. (0.00727) BD*( 1) C 94 - H 96 ( 40.15%) 0.6336* C 94 s( 22.55%)p 3.43( 77.37%)d 0.00( 0.09%) 0.0001 -0.4748 -0.0009 0.0005 -0.2221 0.0126 -0.0015 0.5817 0.0045 0.0015 0.6211 0.0057 0.0025 0.0032 0.0038 0.0043 0.0026 -0.0249 -0.0004 0.0129 -0.0004 -0.0073 -0.0010 ( 59.85%) -0.7736* H 96 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0011 -0.0004 0.0043 -0.0106 -0.0112 1641. (0.00789) BD*( 1) C 94 - H 97 ( 39.33%) 0.6271* C 94 s( 24.60%)p 3.06( 75.31%)d 0.00( 0.09%) 0.0000 -0.4960 0.0014 0.0002 -0.4840 0.0142 0.0043 0.1601 -0.0010 -0.0011 -0.7020 -0.0127 0.0030 0.0044 0.0011 -0.0212 -0.0026 0.0082 0.0003 -0.0061 0.0005 -0.0172 0.0003 ( 60.67%) -0.7789* H 97 s( 99.99%)p 0.00( 0.01%) -0.9999 -0.0004 -0.0003 0.0072 -0.0032 0.0094 1642. (0.00864) BD*( 1) C 98 - H 99 ( 39.83%) 0.6311* C 98 s( 24.16%)p 3.13( 75.73%)d 0.00( 0.10%) -0.0001 0.4915 -0.0026 -0.0006 -0.8580 -0.0054 -0.0015 -0.0578 -0.0033 0.0010 0.1329 0.0142 -0.0026 0.0035 0.0006 -0.0147 0.0016 0.0000 -0.0006 0.0220 0.0031 -0.0172 0.0019 ( 60.17%) -0.7757* H 99 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0002 0.0003 0.0144 0.0011 -0.0026 1643. (0.00719) BD*( 1) C 98 - H 100 ( 40.14%) 0.6336* C 98 s( 22.66%)p 3.41( 77.26%)d 0.00( 0.09%) -0.0001 0.4760 0.0021 -0.0004 0.2268 0.0087 0.0006 -0.6296 -0.0043 0.0010 -0.5696 0.0089 -0.0015 -0.0119 0.0002 -0.0107 -0.0002 0.0206 0.0036 -0.0131 -0.0001 -0.0023 0.0028 ( 59.86%) -0.7737* H 100 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0012 0.0004 -0.0035 0.0113 0.0111 1644. (0.01038) BD*( 1) C 98 - H 101 ( 40.37%) 0.6354* C 98 s( 23.08%)p 3.33( 76.84%)d 0.00( 0.09%) 0.0000 -0.4804 -0.0010 0.0005 -0.1638 -0.0100 0.0002 -0.7703 -0.0011 -0.0003 0.3846 -0.0139 0.0016 -0.0111 0.0007 0.0066 -0.0007 0.0146 0.0045 0.0196 0.0015 0.0098 -0.0010 ( 59.63%) -0.7722* H 101 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0018 -0.0006 0.0024 0.0139 -0.0079 1645. (0.02655) BD*( 1) C 102 - H 103 ( 38.78%) 0.6227* C 102 s( 21.33%)p 3.68( 78.58%)d 0.00( 0.09%) -0.0002 0.4615 -0.0177 -0.0006 -0.2040 -0.0016 -0.0001 -0.8606 0.0173 0.0001 0.0556 0.0113 -0.0005 0.0099 0.0006 -0.0004 -0.0001 0.0009 0.0023 -0.0230 -0.0039 -0.0149 -0.0027 ( 61.22%) -0.7825* H 103 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0015 0.0015 0.0027 0.0131 0.0003 1646. (0.01806) BD*( 1) C 102 - C 104 ( 49.14%) 0.7010* C 102 s( 26.06%)p 2.84( 73.90%)d 0.00( 0.04%) -0.0002 -0.5104 -0.0097 -0.0002 0.7207 0.0136 0.0007 -0.4519 0.0155 -0.0014 -0.1222 -0.0091 0.0003 0.0152 0.0000 0.0026 -0.0003 -0.0018 -0.0009 -0.0062 0.0013 0.0097 -0.0028 ( 50.86%) -0.7132* C 104 s( 30.29%)p 2.30( 69.65%)d 0.00( 0.06%) -0.0005 -0.5504 -0.0043 -0.0017 -0.7142 0.0006 0.0031 0.4103 -0.0033 0.0013 0.1340 0.0115 0.0020 0.0172 0.0007 0.0068 -0.0002 -0.0029 -0.0003 -0.0113 0.0004 0.0108 0.0002 1647. (0.01921) BD*( 1) C 102 - C 108 ( 49.11%) 0.7008* C 102 s( 25.27%)p 2.96( 74.70%)d 0.00( 0.04%) -0.0002 -0.5026 -0.0093 0.0000 -0.5714 0.0003 -0.0018 -0.1740 0.0136 -0.0013 -0.6243 -0.0186 -0.0015 -0.0057 0.0001 -0.0155 0.0037 -0.0049 -0.0007 -0.0073 -0.0015 -0.0040 -0.0007 ( 50.89%) -0.7134* C 108 s( 30.44%)p 2.28( 69.49%)d 0.00( 0.07%) -0.0006 -0.5516 -0.0065 -0.0016 0.5586 -0.0053 -0.0023 0.1616 -0.0051 0.0019 0.5972 0.0079 -0.0025 -0.0053 0.0000 -0.0216 0.0002 -0.0059 0.0001 -0.0095 0.0001 -0.0088 0.0010 1648. (0.01068) BD*( 1) C 104 - H 105 ( 40.46%) 0.6361* C 104 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 -0.4800 0.0014 0.0007 -0.1347 -0.0153 0.0014 -0.8654 0.0037 -0.0035 -0.0374 0.0031 -0.0011 -0.0139 0.0028 0.0001 -0.0003 0.0003 -0.0015 0.0226 0.0029 0.0125 0.0020 ( 59.54%) -0.7716* H 105 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0019 -0.0006 0.0014 0.0158 0.0011 1649. (0.00676) BD*( 1) C 104 - H 106 ( 39.97%) 0.6322* C 104 s( 22.59%)p 3.42( 77.32%)d 0.00( 0.09%) -0.0001 0.4753 0.0005 -0.0005 -0.3604 0.0093 -0.0015 -0.2407 -0.0083 -0.0002 0.7650 0.0063 0.0031 0.0059 0.0012 -0.0139 -0.0028 -0.0158 0.0013 -0.0018 0.0023 0.0196 0.0007 ( 60.03%) -0.7748* H 106 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0008 0.0004 0.0061 0.0042 -0.0136 1650. (0.00714) BD*( 1) C 104 - H 107 ( 39.89%) 0.6316* C 104 s( 24.03%)p 3.16( 75.88%)d 0.00( 0.09%) 0.0000 0.4902 -0.0023 -0.0004 -0.5837 0.0114 0.0046 -0.1539 -0.0091 0.0001 -0.6278 -0.0112 0.0022 0.0060 0.0015 0.0242 0.0018 0.0088 -0.0011 0.0088 0.0010 0.0100 0.0004 ( 60.11%) -0.7753* H 107 s( 99.99%)p 0.00( 0.01%) 0.9999 0.0008 0.0003 0.0085 0.0016 0.0082 1651. (0.00701) BD*( 1) C 108 - H 109 ( 40.07%) 0.6330* C 108 s( 23.66%)p 3.22( 76.24%)d 0.00( 0.11%) 0.0001 -0.4864 0.0022 0.0004 -0.7158 0.0013 -0.0011 0.4920 0.0062 0.0007 0.0879 0.0109 -0.0040 0.0252 0.0010 0.0125 -0.0036 -0.0036 -0.0011 -0.0065 -0.0013 0.0149 0.0001 ( 59.93%) -0.7741* H 109 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0006 -0.0003 0.0101 -0.0070 -0.0028 1652. (0.00746) BD*( 1) C 108 - H 110 ( 40.24%) 0.6344* C 108 s( 22.83%)p 3.38( 77.08%)d 0.00( 0.09%) 0.0001 -0.4778 -0.0014 0.0004 0.3346 0.0132 -0.0006 0.1568 0.0025 0.0002 -0.7963 0.0038 -0.0004 -0.0057 0.0016 0.0216 0.0002 0.0089 0.0007 -0.0051 0.0014 -0.0159 -0.0045 ( 59.76%) -0.7730* H 110 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0014 -0.0003 -0.0064 -0.0028 0.0148 1653. (0.00889) BD*( 1) C 108 - H 111 ( 40.42%) 0.6358* C 108 s( 23.04%)p 3.34( 76.87%)d 0.00( 0.09%) 0.0000 -0.4799 0.0044 0.0006 -0.2492 0.0106 -0.0013 -0.8402 -0.0009 -0.0016 0.0178 0.0134 -0.0011 -0.0093 -0.0039 0.0031 -0.0010 0.0068 -0.0028 0.0238 0.0010 0.0139 0.0022 ( 59.58%) -0.7719* H 111 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0019 -0.0005 0.0049 0.0147 -0.0010 1654. (0.00763) BD*( 1) C 112 - H 113 ( 40.24%) 0.6344* C 112 s( 22.69%)p 3.40( 77.22%)d 0.00( 0.09%) 0.0001 -0.4764 -0.0007 0.0005 -0.0842 0.0038 -0.0007 -0.6523 0.0059 -0.0025 -0.5826 -0.0131 -0.0016 -0.0009 -0.0009 -0.0010 -0.0021 -0.0255 -0.0016 0.0103 0.0023 -0.0105 0.0028 ( 59.76%) -0.7730* H 113 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0012 -0.0004 0.0016 0.0117 0.0106 1655. (0.00694) BD*( 1) C 112 - H 114 ( 39.60%) 0.6293* C 112 s( 23.97%)p 3.17( 75.94%)d 0.00( 0.09%) -0.0001 0.4896 -0.0020 -0.0003 -0.4523 -0.0109 0.0014 0.3069 -0.0139 -0.0034 -0.6784 -0.0011 0.0039 -0.0078 -0.0024 0.0226 0.0007 -0.0122 -0.0008 0.0060 -0.0003 0.0116 0.0011 ( 60.40%) -0.7772* H 114 s( 99.99%)p 0.00( 0.01%) 0.9999 0.0006 0.0003 0.0062 -0.0049 0.0092 1656. (0.00961) BD*( 1) C 112 - H 115 ( 40.50%) 0.6364* C 112 s( 22.97%)p 3.35( 76.94%)d 0.00( 0.09%) 0.0000 -0.4793 0.0030 0.0007 -0.8054 0.0030 -0.0042 0.2017 0.0142 -0.0020 0.2824 -0.0055 0.0014 0.0167 -0.0023 0.0121 0.0027 -0.0074 0.0012 -0.0177 -0.0031 0.0106 0.0004 ( 59.50%) -0.7714* H 115 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0018 -0.0005 0.0143 -0.0027 -0.0051 1657. (0.00647) BD*( 1) C 116 - H 117 ( 40.03%) 0.6327* C 116 s( 23.30%)p 3.29( 76.62%)d 0.00( 0.09%) -0.0001 0.4827 -0.0020 -0.0004 -0.4144 -0.0106 -0.0001 -0.6637 -0.0028 -0.0002 0.3920 -0.0101 0.0016 0.0212 -0.0003 -0.0102 -0.0016 -0.0121 -0.0037 -0.0063 -0.0026 -0.0108 0.0025 ( 59.97%) -0.7744* H 117 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0008 0.0002 0.0078 0.0118 -0.0061 1658. (0.00717) BD*( 1) C 116 - H 118 ( 40.34%) 0.6352* C 116 s( 22.86%)p 3.37( 77.05%)d 0.00( 0.09%) 0.0001 -0.4781 -0.0003 0.0004 -0.0336 0.0046 -0.0003 -0.6646 -0.0106 0.0004 -0.5722 0.0090 -0.0007 0.0011 -0.0021 0.0015 -0.0011 -0.0233 -0.0029 0.0181 -0.0011 0.0019 -0.0030 ( 59.66%) -0.7724* H 118 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0013 -0.0003 0.0006 0.0120 0.0101 1659. (0.00936) BD*( 1) C 116 - H 119 ( 40.43%) 0.6358* C 116 s( 23.15%)p 3.32( 76.76%)d 0.00( 0.09%) 0.0000 -0.4811 0.0030 0.0006 -0.8237 0.0036 -0.0019 0.2553 -0.0045 0.0003 0.1539 0.0164 -0.0015 0.0115 0.0026 0.0149 -0.0025 -0.0052 0.0010 -0.0192 -0.0022 0.0118 0.0023 ( 59.57%) -0.7718* H 119 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0018 -0.0005 0.0144 -0.0052 -0.0027 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1)As 1 -Ge 3 134.5 352.4 131.4 20.1 20.4 44.8 145.2 19.2 2. BD ( 1)As 1 - C 4 113.3 151.6 117.1 151.5 3.9 69.5 331.5 2.8 3. BD ( 1)As 1 - C 33 112.0 269.5 108.4 262.2 7.8 71.1 92.1 3.9 4. BD ( 1)As 2 -Ge 3 134.6 176.8 131.6 202.1 18.6 42.9 331.7 17.6 5. BD ( 1)As 2 - C 62 111.7 333.1 115.0 331.3 3.7 70.4 154.8 2.6 6. BD ( 1)As 2 - C 83 113.3 87.5 110.0 82.4 5.8 70.5 268.2 3.8 7. BD ( 1) C 4 - C 5 122.3 85.3 122.6 81.5 3.3 57.8 269.3 3.4 8. BD ( 2) C 4 - C 5 122.3 85.3 145.8 271.4 91.8 32.0 93.2 89.5 9. BD ( 1) C 4 - C 12 75.5 201.7 74.6 204.6 2.9 103.3 18.9 3.0 10. BD ( 1) C 5 - C 6 108.9 152.5 -- -- -- 72.0 335.0 2.5 11. BD ( 1) C 5 - C 13 104.8 26.5 103.6 25.5 1.6 -- -- -- 13. BD ( 1) C 6 - C 8 77.2 202.5 80.4 198.2 5.3 -- -- -- 14. BD ( 2) C 6 - C 8 77.2 202.5 34.3 93.9 89.5 34.7 92.4 89.6 16. BD ( 1) C 8 - C 10 55.3 265.4 -- -- -- 125.2 91.7 5.2 18. BD ( 1) C 10 - C 12 70.6 330.1 68.9 327.7 2.8 108.4 151.2 1.5 19. BD ( 2) C 10 - C 12 70.6 330.1 35.3 90.3 90.2 36.2 89.5 89.7 20. BD ( 1) C 12 - C 23 52.4 262.0 54.4 262.3 2.0 129.5 83.6 2.3 22. BD ( 1) C 13 - C 15 78.8 89.1 -- -- -- 101.1 268.0 1.1 31. BD ( 1) C 23 - C 25 97.7 211.9 98.9 211.9 1.1 83.5 33.7 2.2 32. BD ( 1) C 23 - C 29 18.0 80.0 16.9 77.6 1.3 -- -- -- 39. BD ( 1) C 33 - C 34 153.2 215.7 152.2 205.6 4.7 26.7 45.0 4.2 40. BD ( 2) C 33 - C 34 153.2 215.7 64.8 188.3 91.0 113.4 6.4 89.7 41. BD ( 1) C 33 - C 41 54.1 299.7 51.1 300.4 3.0 123.1 118.5 2.9 42. BD ( 1) C 34 - C 35 104.7 269.7 -- -- -- 77.3 90.7 2.2 43. BD ( 1) C 34 - C 42 132.6 120.0 130.6 119.2 2.0 -- -- -- 45. BD ( 1) C 35 - C 37 52.8 297.9 57.1 293.8 5.4 -- -- -- 46. BD ( 2) C 35 - C 37 52.8 297.9 64.7 186.4 90.4 63.9 186.8 90.5 48. BD ( 1) C 37 - C 39 28.8 33.5 -- -- -- 148.7 222.9 5.3 50. BD ( 1) C 39 - C 41 72.8 88.8 70.8 87.2 2.5 106.3 269.8 1.3 51. BD ( 2) C 39 - C 41 72.8 88.8 64.0 186.9 89.5 115.3 8.7 91.3 52. BD ( 1) C 41 - C 52 25.2 28.3 26.7 28.8 1.4 155.6 211.6 1.6 53. BD ( 1) C 42 - H 43 70.7 81.4 71.8 82.1 1.2 -- -- -- 55. BD ( 1) C 42 - C 48 151.8 350.6 -- -- -- 27.2 172.0 1.2 63. BD ( 1) C 52 - C 54 78.1 329.5 -- -- -- 103.4 150.4 1.7 64. BD ( 1) C 52 - C 58 45.8 193.1 44.3 192.9 1.6 -- -- -- 71. BD ( 1) C 62 - C 63 122.9 269.0 123.4 265.0 3.4 57.4 93.0 3.3 72. BD ( 2) C 62 - C 63 122.9 269.0 34.6 273.0 88.3 32.2 276.4 89.1 73. BD ( 1) C 62 - C 70 74.3 24.7 73.7 27.7 2.9 104.4 201.4 3.5 74. BD ( 1) C 63 - C 64 109.0 336.4 109.0 335.1 1.2 71.8 159.0 2.6 75. BD ( 1) C 63 - C 71 104.1 210.1 103.7 209.0 1.2 -- -- -- 77. BD ( 1) C 64 - C 66 76.6 25.9 80.2 21.9 5.3 103.8 204.9 1.1 78. BD ( 2) C 64 - C 66 76.6 25.9 34.9 277.6 89.2 35.7 275.3 89.3 80. BD ( 1) C 66 - C 68 53.9 89.2 -- -- -- 126.7 275.9 5.5 81. BD ( 1) C 68 - H 69 74.8 25.2 74.9 24.1 1.0 -- -- -- 82. BD ( 1) C 68 - C 70 70.4 154.2 68.6 152.1 2.6 108.5 334.7 1.3 83. BD ( 2) C 68 - C 70 70.4 154.2 36.9 272.9 90.2 37.6 271.2 90.2 84. BD ( 1) C 70 - C 81 51.6 83.9 52.6 86.1 2.0 129.6 263.9 1.2 86. BD ( 1) C 71 - C 73 76.1 272.5 -- -- -- 103.7 91.4 1.1 95. BD ( 1) C 81 - C 112 114.7 60.2 -- -- -- 66.4 240.7 1.2 97. BD ( 1) C 83 - C 84 153.9 31.0 153.0 20.5 4.8 26.3 220.7 4.3 98. BD ( 2) C 83 - C 84 153.9 31.0 65.3 5.0 90.9 112.5 182.2 89.3 99. BD ( 1) C 83 - C 91 54.5 115.8 51.6 116.4 3.0 122.7 294.5 3.0 100. BD ( 1) C 84 - C 85 105.1 85.6 -- -- -- 76.9 266.3 2.1 101. BD ( 1) C 84 - C 92 133.4 293.9 130.8 294.0 2.6 -- -- -- 102. BD ( 1) C 85 - H 86 153.1 29.9 152.2 31.1 1.0 -- -- -- 103. BD ( 1) C 85 - C 87 53.0 113.1 57.2 109.0 5.4 -- -- -- 104. BD ( 2) C 85 - C 87 53.0 113.1 114.6 182.1 89.4 64.2 2.6 90.6 106. BD ( 1) C 87 - C 89 28.6 208.8 -- -- -- 148.7 38.1 5.4 108. BD ( 1) C 89 - C 91 72.6 264.5 70.7 262.7 2.6 106.7 85.8 1.4 109. BD ( 2) C 89 - C 91 72.6 264.5 63.7 2.7 89.4 115.8 184.9 91.4 110. BD ( 1) C 91 - C 102 26.0 202.5 27.1 203.8 1.3 154.8 24.8 1.3 111. BD ( 1) C 92 - H 93 69.5 259.2 70.6 259.7 1.2 -- -- -- 112. BD ( 1) C 92 - C 94 101.3 3.5 -- -- -- 77.8 182.8 1.1 113. BD ( 1) C 92 - C 98 148.3 168.9 -- -- -- 30.5 349.8 1.2 121. BD ( 1) C 102 - C 104 81.2 149.3 -- -- -- 100.2 330.1 1.6 122. BD ( 1) C 102 - C 108 44.1 16.2 42.7 15.8 1.4 -- -- -- 225. LP ( 1)As 1 -- -- 10.5 46.5 -- -- -- -- 226. LP ( 1)As 2 -- -- 10.2 217.1 -- -- -- -- 228. LP*( 2)Ge 3 -- -- 87.7 240.8 -- -- -- -- 1533. BD*( 2) C 4 - C 5 122.3 85.3 145.8 271.4 91.8 32.0 93.2 89.5 1539. BD*( 2) C 6 - C 8 77.2 202.5 34.3 93.9 89.5 34.7 92.4 89.6 1544. BD*( 2) C 10 - C 12 70.6 330.1 35.3 90.3 90.2 36.2 89.5 89.7 1565. BD*( 2) C 33 - C 34 153.2 215.7 64.8 188.3 91.0 113.4 6.4 89.7 1571. BD*( 2) C 35 - C 37 52.8 297.9 64.7 186.4 90.4 63.9 186.8 90.5 1576. BD*( 2) C 39 - C 41 72.8 88.8 64.0 186.9 89.5 115.3 8.7 91.3 1597. BD*( 2) C 62 - C 63 122.9 269.0 34.6 273.0 88.3 32.2 276.4 89.1 1603. BD*( 2) C 64 - C 66 76.6 25.9 34.9 277.6 89.2 35.7 275.3 89.3 1608. BD*( 2) C 68 - C 70 70.4 154.2 36.9 272.9 90.2 37.6 271.2 90.2 1623. BD*( 2) C 83 - C 84 153.9 31.0 65.3 5.0 90.9 112.5 182.2 89.3 1629. BD*( 2) C 85 - C 87 53.0 113.1 114.6 182.1 89.4 64.2 2.6 90.6 1634. BD*( 2) C 89 - C 91 72.6 264.5 63.7 2.7 89.4 115.8 184.9 91.4 Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1)As 1 -Ge 3 /228. LP*( 2)Ge 3 2.30 0.30 0.024 1. BD ( 1)As 1 -Ge 3 /263. RY*( 4)As 2 0.56 1.29 0.025 1. BD ( 1)As 1 -Ge 3 /291. RY*( 1)Ge 3 1.91 0.84 0.036 1. BD ( 1)As 1 -Ge 3 /292. RY*( 2)Ge 3 1.96 1.34 0.047 1. BD ( 1)As 1 -Ge 3 /314. RY*( 24)Ge 3 0.82 6.49 0.067 1. BD ( 1)As 1 -Ge 3 /316. RY*( 26)Ge 3 0.54 221.37 0.318 1. BD ( 1)As 1 -Ge 3 /322. RY*( 1) C 4 0.50 1.71 0.027 1. BD ( 1)As 1 -Ge 3 /323. RY*( 2) C 4 0.93 1.70 0.037 1. BD ( 1)As 1 -Ge 3 /463. RY*( 1) H 14 1.97 1.30 0.046 1. BD ( 1)As 1 -Ge 3 /626. RY*( 4) C 33 0.76 1.60 0.032 1. BD ( 1)As 1 -Ge 3 /764. RY*( 1) H 43 1.04 1.25 0.033 1. BD ( 1)As 1 -Ge 3 /***. RY*( 1) H 78 0.80 1.24 0.029 1. BD ( 1)As 1 -Ge 3 /***. BD*( 1)As 2 - C 62 3.30 0.47 0.036 1. BD ( 1)As 1 -Ge 3 /***. BD*( 1) C 4 - C 12 2.54 0.85 0.042 1. BD ( 1)As 1 -Ge 3 /***. BD*( 1) C 13 - H 14 1.03 0.75 0.025 1. BD ( 1)As 1 -Ge 3 /***. BD*( 2) C 33 - C 34 4.78 0.33 0.039 1. BD ( 1)As 1 -Ge 3 /***. BD*( 1) C 33 - C 41 1.23 0.83 0.029 2. BD ( 1)As 1 - C 4 /228. LP*( 2)Ge 3 1.83 0.41 0.025 2. BD ( 1)As 1 - C 4 /291. RY*( 1)Ge 3 1.28 0.95 0.031 2. BD ( 1)As 1 - C 4 /322. RY*( 1) C 4 0.55 1.82 0.028 2. BD ( 1)As 1 - C 4 /340. RY*( 1) C 5 2.54 1.83 0.062 2. BD ( 1)As 1 - C 4 /427. RY*( 1) C 12 2.73 1.83 0.064 2. BD ( 1)As 1 - C 4 /***. BD*( 1)As 1 -Ge 3 0.85 0.51 0.019 2. BD ( 1)As 1 - C 4 /***. BD*( 1)As 1 - C 33 0.86 0.54 0.019 2. BD ( 1)As 1 - C 4 /***. BD*( 1)As 2 -Ge 3 0.86 0.51 0.019 2. BD ( 1)As 1 - C 4 /***. BD*( 1) C 4 - C 5 0.68 0.97 0.023 2. BD ( 1)As 1 - C 4 /***. BD*( 1) C 4 - C 12 0.71 0.96 0.023 2. BD ( 1)As 1 - C 4 /***. BD*( 1) C 5 - C 6 4.50 0.97 0.059 2. BD ( 1)As 1 - C 4 /***. BD*( 1) C 10 - C 12 4.69 0.97 0.060 2. BD ( 1)As 1 - C 4 /***. BD*( 1) C 33 - C 41 1.19 0.94 0.030 3. BD ( 1)As 1 - C 33 /228. LP*( 2)Ge 3 18.44 0.40 0.079 3. BD ( 1)As 1 - C 33 /291. RY*( 1)Ge 3 2.38 0.94 0.043 3. BD ( 1)As 1 - C 33 /292. RY*( 2)Ge 3 2.28 1.44 0.052 3. BD ( 1)As 1 - C 33 /552. RY*( 1) H 24 0.50 1.11 0.022 3. BD ( 1)As 1 - C 33 /641. RY*( 1) C 34 2.61 1.71 0.061 3. BD ( 1)As 1 - C 33 /728. RY*( 1) C 41 2.87 1.72 0.064 3. BD ( 1)As 1 - C 33 /***. BD*( 1)As 1 -Ge 3 0.82 0.49 0.018 3. BD ( 1)As 1 - C 33 /***. BD*( 1)As 1 - C 4 1.00 0.56 0.021 3. BD ( 1)As 1 - C 33 /***. BD*( 1) C 4 - C 5 0.96 0.95 0.027 3. BD ( 1)As 1 - C 33 /***. BD*( 2) C 4 - C 5 0.57 0.45 0.016 3. BD ( 1)As 1 - C 33 /***. BD*( 1) C 33 - C 34 0.91 0.92 0.026 3. BD ( 1)As 1 - C 33 /***. BD*( 1) C 34 - C 35 4.17 0.94 0.057 3. BD ( 1)As 1 - C 33 /***. BD*( 1) C 39 - C 41 5.06 0.95 0.063 4. BD ( 1)As 2 -Ge 3 /228. LP*( 2)Ge 3 1.53 0.30 0.020 4. BD ( 1)As 2 -Ge 3 /232. RY*( 4)As 1 0.54 1.38 0.025 4. BD ( 1)As 2 -Ge 3 /291. RY*( 1)Ge 3 2.08 0.84 0.038 4. BD ( 1)As 2 -Ge 3 /292. RY*( 2)Ge 3 2.31 1.35 0.051 4. BD ( 1)As 2 -Ge 3 /294. RY*( 4)Ge 3 0.52 1.63 0.027 4. BD ( 1)As 2 -Ge 3 /314. RY*( 24)Ge 3 0.94 6.50 0.072 4. BD ( 1)As 2 -Ge 3 /316. RY*( 26)Ge 3 0.64 221.38 0.345 4. BD ( 1)As 2 -Ge 3 /519. RY*( 1) H 20 1.09 1.59 0.038 4. BD ( 1)As 2 -Ge 3 /924. RY*( 1) C 62 0.53 1.74 0.028 4. BD ( 1)As 2 -Ge 3 /925. RY*( 2) C 62 1.16 1.72 0.041 4. BD ( 1)As 2 -Ge 3 /***. RY*( 1) H 72 2.18 1.31 0.049 4. BD ( 1)As 2 -Ge 3 /***. RY*( 1) H 82 0.78 1.22 0.028 4. BD ( 1)As 2 -Ge 3 /***. RY*( 4) C 83 0.84 1.67 0.034 4. BD ( 1)As 2 -Ge 3 /***. RY*( 1) H 93 1.33 1.27 0.038 4. BD ( 1)As 2 -Ge 3 /***. BD*( 1)As 1 - C 4 3.08 0.47 0.034 4. BD ( 1)As 2 -Ge 3 /***. BD*( 1)As 2 - C 62 0.51 0.47 0.014 4. BD ( 1)As 2 -Ge 3 /***. BD*( 1) C 62 - C 70 2.36 0.86 0.041 4. BD ( 1)As 2 -Ge 3 /***. BD*( 1) C 71 - H 72 0.96 0.75 0.024 4. BD ( 1)As 2 -Ge 3 /***. BD*( 2) C 83 - C 84 3.61 0.34 0.034 4. BD ( 1)As 2 -Ge 3 /***. BD*( 1) C 83 - C 91 1.32 0.84 0.030 5. BD ( 1)As 2 - C 62 /228. LP*( 2)Ge 3 1.69 0.41 0.025 5. BD ( 1)As 2 - C 62 /291. RY*( 1)Ge 3 1.33 0.95 0.032 5. BD ( 1)As 2 - C 62 /924. RY*( 1) C 62 0.52 1.84 0.028 5. BD ( 1)As 2 - C 62 /942. RY*( 1) C 63 2.48 1.83 0.061 5. BD ( 1)As 2 - C 62 /***. RY*( 1) C 70 2.83 1.80 0.064 5. BD ( 1)As 2 - C 62 /***. BD*( 1)As 1 -Ge 3 0.80 0.51 0.018 5. BD ( 1)As 2 - C 62 /***. BD*( 1)As 2 -Ge 3 0.73 0.51 0.017 5. BD ( 1)As 2 - C 62 /***. BD*( 1)As 2 - C 83 0.88 0.54 0.020 5. BD ( 1)As 2 - C 62 /***. BD*( 1) C 62 - C 63 0.77 0.97 0.025 5. BD ( 1)As 2 - C 62 /***. BD*( 1) C 62 - C 70 0.72 0.97 0.024 5. BD ( 1)As 2 - C 62 /***. BD*( 1) C 63 - C 64 4.42 0.97 0.059 5. BD ( 1)As 2 - C 62 /***. BD*( 1) C 68 - C 70 4.79 0.97 0.061 5. BD ( 1)As 2 - C 62 /***. BD*( 1) C 83 - C 91 1.15 0.95 0.030 6. BD ( 1)As 2 - C 83 /228. LP*( 2)Ge 3 15.72 0.40 0.073 6. BD ( 1)As 2 - C 83 /291. RY*( 1)Ge 3 2.50 0.93 0.044 6. BD ( 1)As 2 - C 83 /292. RY*( 2)Ge 3 2.51 1.44 0.055 6. BD ( 1)As 2 - C 83 /***. RY*( 1) H 82 0.70 1.31 0.028 6. BD ( 1)As 2 - C 83 /***. RY*( 1) C 84 2.50 1.74 0.060 6. BD ( 1)As 2 - C 83 /***. RY*( 1) C 91 2.84 1.74 0.064 6. BD ( 1)As 2 - C 83 /***. BD*( 1)As 2 -Ge 3 0.75 0.50 0.017 6. BD ( 1)As 2 - C 83 /***. BD*( 1)As 2 - C 62 0.90 0.57 0.020 6. BD ( 1)As 2 - C 83 /***. BD*( 1) C 62 - C 63 1.06 0.95 0.029 6. BD ( 1)As 2 - C 83 /***. BD*( 2) C 62 - C 63 0.76 0.45 0.018 6. BD ( 1)As 2 - C 83 /***. BD*( 1) C 83 - C 84 0.90 0.93 0.026 6. BD ( 1)As 2 - C 83 /***. BD*( 1) C 84 - C 85 4.13 0.94 0.056 6. BD ( 1)As 2 - C 83 /***. BD*( 1) C 89 - C 91 5.16 0.95 0.063 7. BD ( 1) C 4 - C 5 /355. RY*( 16) C 5 0.57 20.05 0.096 7. BD ( 1) C 4 - C 5 /363. RY*( 6) C 6 0.62 2.78 0.037 7. BD ( 1) C 4 - C 5 /427. RY*( 1) C 12 1.64 2.01 0.051 7. BD ( 1) C 4 - C 5 /428. RY*( 2) C 12 0.88 1.72 0.035 7. BD ( 1) C 4 - C 5 /445. RY*( 1) C 13 0.51 1.61 0.026 7. BD ( 1) C 4 - C 5 /***. BD*( 1)As 1 - C 4 0.80 0.75 0.022 7. BD ( 1) C 4 - C 5 /***. BD*( 1) C 4 - C 12 3.27 1.13 0.054 7. BD ( 1) C 4 - C 5 /***. BD*( 1) C 5 - C 6 3.95 1.14 0.060 7. BD ( 1) C 4 - C 5 /***. BD*( 1) C 5 - C 13 2.94 0.99 0.048 7. BD ( 1) C 4 - C 5 /***. BD*( 1) C 6 - H 7 2.07 1.02 0.041 7. BD ( 1) C 4 - C 5 /***. BD*( 1) C 12 - C 23 3.78 0.99 0.055 7. BD ( 1) C 4 - C 5 /***. BD*( 1) C 13 - C 15 0.70 0.95 0.023 8. BD ( 2) C 4 - C 5 /360. RY*( 3) C 6 1.35 0.78 0.032 8. BD ( 2) C 4 - C 5 /429. RY*( 3) C 12 0.89 1.18 0.032 8. BD ( 2) C 4 - C 5 /***. BD*( 1)As 1 - C 33 1.81 0.31 0.023 8. BD ( 2) C 4 - C 5 /***. BD*( 2) C 6 - C 8 13.63 0.23 0.050 8. BD ( 2) C 4 - C 5 /***. BD*( 2) C 10 - C 12 16.24 0.24 0.055 8. BD ( 2) C 4 - C 5 /***. BD*( 1) C 13 - C 15 1.64 0.54 0.029 8. BD ( 2) C 4 - C 5 /***. BD*( 1) C 13 - C 19 2.63 0.54 0.037 8. BD ( 2) C 4 - C 5 /***. BD*( 1) C 42 - H 43 1.04 0.64 0.025 9. BD ( 1) C 4 - C 12 /340. RY*( 1) C 5 1.56 2.00 0.050 9. BD ( 1) C 4 - C 12 /341. RY*( 2) C 5 0.94 1.89 0.038 9. BD ( 1) C 4 - C 12 /404. RY*( 1) C 10 0.56 2.04 0.031 9. BD ( 1) C 4 - C 12 /409. RY*( 6) C 10 0.79 2.76 0.042 9. BD ( 1) C 4 - C 12 /442. RY*( 16) C 12 0.57 20.35 0.097 9. BD ( 1) C 4 - C 12 /534. RY*( 1) C 23 0.59 1.62 0.028 9. BD ( 1) C 4 - C 12 /***. BD*( 1)As 1 -Ge 3 0.65 0.67 0.019 9. BD ( 1) C 4 - C 12 /***. BD*( 1)As 1 - C 4 0.83 0.74 0.022 9. BD ( 1) C 4 - C 12 /***. BD*( 1) C 4 - C 5 3.24 1.13 0.054 9. BD ( 1) C 4 - C 12 /***. BD*( 1) C 5 - C 13 4.04 0.99 0.056 9. BD ( 1) C 4 - C 12 /***. BD*( 1) C 10 - H 11 2.19 1.02 0.042 9. BD ( 1) C 4 - C 12 /***. BD*( 1) C 10 - C 12 3.84 1.14 0.059 9. BD ( 1) C 4 - C 12 /***. BD*( 1) C 12 - C 23 2.69 0.98 0.046 9. BD ( 1) C 4 - C 12 /***. BD*( 1) C 23 - C 25 1.10 0.95 0.029 10. BD ( 1) C 5 - C 6 /322. RY*( 1) C 4 1.15 1.98 0.043 10. BD ( 1) C 5 - C 6 /373. RY*( 16) C 6 0.52 15.31 0.080 10. BD ( 1) C 5 - C 6 /381. RY*( 1) C 8 0.78 2.09 0.036 10. BD ( 1) C 5 - C 6 /382. RY*( 2) C 8 1.47 2.15 0.051 10. BD ( 1) C 5 - C 6 /445. RY*( 1) C 13 1.50 1.60 0.044 10. BD ( 1) C 5 - C 6 /***. BD*( 1)As 1 - C 4 4.79 0.74 0.053 10. BD ( 1) C 5 - C 6 /***. BD*( 1) C 4 - C 5 4.37 1.13 0.063 10. BD ( 1) C 5 - C 6 /***. BD*( 1) C 5 - C 13 1.89 0.98 0.038 10. BD ( 1) C 5 - C 6 /***. BD*( 1) C 6 - H 7 1.14 1.01 0.030 10. BD ( 1) C 5 - C 6 /***. BD*( 1) C 6 - C 8 3.15 1.14 0.054 10. BD ( 1) C 5 - C 6 /***. BD*( 1) C 8 - H 9 2.20 1.00 0.042 10. BD ( 1) C 5 - C 6 /***. BD*( 1) C 13 - H 14 1.01 1.02 0.029 11. BD ( 1) C 5 - C 13 /322. RY*( 1) C 4 1.38 1.91 0.046 11. BD ( 1) C 5 - C 13 /358. RY*( 1) C 6 1.39 1.98 0.047 11. BD ( 1) C 5 - C 13 /502. RY*( 2) C 19 0.64 1.44 0.027 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 4 - C 5 2.97 1.06 0.050 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 4 - C 12 2.82 1.05 0.049 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 5 - C 6 1.84 1.06 0.039 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 6 - C 8 2.69 1.07 0.048 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 13 - H 14 0.72 0.95 0.023 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 13 - C 15 0.88 0.87 0.025 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 13 - C 19 0.96 0.87 0.026 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 15 - H 17 0.98 0.91 0.027 11. BD ( 1) C 5 - C 13 /***. BD*( 1) C 19 - H 21 1.25 0.91 0.030 12. BD ( 1) C 6 - H 7 /340. RY*( 1) C 5 1.75 1.83 0.051 12. BD ( 1) C 6 - H 7 /381. RY*( 1) C 8 1.45 1.93 0.047 12. BD ( 1) C 6 - H 7 /***. BD*( 1) C 4 - C 5 4.72 0.97 0.060 12. BD ( 1) C 6 - H 7 /***. BD*( 1) C 5 - C 6 0.78 0.97 0.024 12. BD ( 1) C 6 - H 7 /***. BD*( 1) C 8 - H 9 0.58 0.84 0.020 12. BD ( 1) C 6 - H 7 /***. BD*( 1) C 8 - C 10 3.60 0.98 0.053 13. BD ( 1) C 6 - C 8 /340. RY*( 1) C 5 0.78 2.00 0.036 13. BD ( 1) C 6 - C 8 /341. RY*( 2) C 5 1.55 1.89 0.049 13. BD ( 1) C 6 - C 8 /404. RY*( 1) C 10 0.65 2.05 0.033 13. BD ( 1) C 6 - C 8 /405. RY*( 2) C 10 1.34 1.84 0.045 13. BD ( 1) C 6 - C 8 /***. BD*( 1) C 5 - C 6 3.63 1.14 0.057 13. BD ( 1) C 6 - C 8 /***. BD*( 1) C 5 - C 13 3.15 0.99 0.050 13. BD ( 1) C 6 - C 8 /***. BD*( 1) C 6 - H 7 1.05 1.02 0.029 13. BD ( 1) C 6 - C 8 /***. BD*( 1) C 8 - H 9 1.00 1.02 0.029 13. BD ( 1) C 6 - C 8 /***. BD*( 1) C 8 - C 10 2.78 1.15 0.051 13. BD ( 1) C 6 - C 8 /***. BD*( 1) C 10 - H 11 2.48 1.03 0.045 14. BD ( 2) C 6 - C 8 /406. RY*( 3) C 10 0.53 1.17 0.024 14. BD ( 2) C 6 - C 8 /***. BD*( 2) C 4 - C 5 16.26 0.23 0.056 14. BD ( 2) C 6 - C 8 /***. BD*( 2) C 10 - C 12 14.14 0.24 0.052 15. BD ( 1) C 8 - H 9 /358. RY*( 1) C 6 1.45 1.89 0.047 15. BD ( 1) C 8 - H 9 /365. RY*( 8) C 6 0.52 3.05 0.036 15. BD ( 1) C 8 - H 9 /404. RY*( 1) C 10 1.42 1.88 0.046 15. BD ( 1) C 8 - H 9 /411. RY*( 8) C 10 0.63 3.42 0.042 15. BD ( 1) C 8 - H 9 /***. BD*( 1) C 5 - C 6 4.10 0.97 0.056 15. BD ( 1) C 8 - H 9 /***. BD*( 1) C 6 - H 7 0.59 0.85 0.020 15. BD ( 1) C 8 - H 9 /***. BD*( 1) C 10 - H 11 0.59 0.85 0.020 15. BD ( 1) C 8 - H 9 /***. BD*( 1) C 10 - C 12 4.04 0.97 0.056 16. BD ( 1) C 8 - C 10 /358. RY*( 1) C 6 0.65 2.06 0.033 16. BD ( 1) C 8 - C 10 /359. RY*( 2) C 6 1.39 2.00 0.047 16. BD ( 1) C 8 - C 10 /427. RY*( 1) C 12 0.70 2.01 0.034 16. BD ( 1) C 8 - C 10 /428. RY*( 2) C 12 1.34 1.72 0.043 16. BD ( 1) C 8 - C 10 /***. BD*( 1) C 6 - H 7 2.59 1.02 0.046 16. BD ( 1) C 8 - C 10 /***. BD*( 1) C 6 - C 8 2.82 1.15 0.051 16. BD ( 1) C 8 - C 10 /***. BD*( 1) C 8 - H 9 0.97 1.01 0.028 16. BD ( 1) C 8 - C 10 /***. BD*( 1) C 10 - H 11 1.01 1.02 0.029 16. BD ( 1) C 8 - C 10 /***. BD*( 1) C 10 - C 12 3.74 1.14 0.058 16. BD ( 1) C 8 - C 10 /***. BD*( 1) C 12 - C 23 3.39 0.99 0.052 17. BD ( 1) C 10 - H 11 /381. RY*( 1) C 8 1.45 1.93 0.047 17. BD ( 1) C 10 - H 11 /427. RY*( 1) C 12 1.75 1.83 0.051 17. BD ( 1) C 10 - H 11 /***. BD*( 1) C 4 - C 12 4.82 0.96 0.061 17. BD ( 1) C 10 - H 11 /***. BD*( 1) C 6 - C 8 3.58 0.98 0.053 17. BD ( 1) C 10 - H 11 /***. BD*( 1) C 8 - H 9 0.58 0.84 0.020 17. BD ( 1) C 10 - H 11 /***. BD*( 1) C 10 - C 12 0.90 0.97 0.026 18. BD ( 1) C 10 - C 12 /322. RY*( 1) C 4 0.89 1.99 0.038 18. BD ( 1) C 10 - C 12 /323. RY*( 2) C 4 0.89 1.98 0.038 18. BD ( 1) C 10 - C 12 /381. RY*( 1) C 8 0.78 2.09 0.036 18. BD ( 1) C 10 - C 12 /382. RY*( 2) C 8 1.37 2.16 0.049 18. BD ( 1) C 10 - C 12 /418. RY*( 15) C 10 0.52 17.64 0.086 18. BD ( 1) C 10 - C 12 /534. RY*( 1) C 23 1.31 1.62 0.041 18. BD ( 1) C 10 - C 12 /***. BD*( 1)As 1 - C 4 4.71 0.74 0.053 18. BD ( 1) C 10 - C 12 /***. BD*( 1) C 4 - C 12 4.25 1.13 0.062 18. BD ( 1) C 10 - C 12 /***. BD*( 1) C 8 - H 9 2.11 1.01 0.041 18. BD ( 1) C 10 - C 12 /***. BD*( 1) C 8 - C 10 3.22 1.14 0.054 18. BD ( 1) C 10 - C 12 /***. BD*( 1) C 10 - H 11 1.28 1.02 0.032 18. BD ( 1) C 10 - C 12 /***. BD*( 1) C 12 - C 23 1.88 0.98 0.038 18. BD ( 1) C 10 - C 12 /***. BD*( 1) C 23 - H 24 0.74 1.02 0.024 19. BD ( 2) C 10 - C 12 /383. RY*( 3) C 8 1.24 0.73 0.029 19. BD ( 2) C 10 - C 12 /***. BD*( 2) C 4 - C 5 13.02 0.23 0.049 19. BD ( 2) C 10 - C 12 /***. BD*( 2) C 6 - C 8 15.99 0.23 0.054 19. BD ( 2) C 10 - C 12 /***. BD*( 1) C 23 - H 24 1.07 0.62 0.025 19. BD ( 2) C 10 - C 12 /***. BD*( 1) C 23 - C 29 2.60 0.54 0.036 20. BD ( 1) C 12 - C 23 /322. RY*( 1) C 4 1.54 1.91 0.049 20. BD ( 1) C 12 - C 23 /404. RY*( 1) C 10 1.50 1.97 0.049 20. BD ( 1) C 12 - C 23 /591. RY*( 2) C 29 0.80 1.36 0.030 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 4 - C 5 2.98 1.06 0.050 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 4 - C 12 2.71 1.05 0.048 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 8 - C 10 2.63 1.07 0.048 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 10 - C 12 1.86 1.06 0.040 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 23 - H 24 0.69 0.94 0.023 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 23 - C 25 0.89 0.87 0.025 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 23 - C 29 0.87 0.86 0.025 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 25 - H 27 0.90 0.90 0.026 20. BD ( 1) C 12 - C 23 /***. BD*( 1) C 29 - H 31 1.32 0.90 0.031 21. BD ( 1) C 13 - H 14 /228. LP*( 2)Ge 3 1.12 0.38 0.019 21. BD ( 1) C 13 - H 14 /341. RY*( 2) C 5 0.51 1.69 0.026 21. BD ( 1) C 13 - H 14 /***. BD*( 1)As 1 -Ge 3 0.66 0.48 0.016 21. BD ( 1) C 13 - H 14 /***. BD*( 1)As 1 - C 33 0.59 0.51 0.015 21. BD ( 1) C 13 - H 14 /***. BD*( 1)As 2 -Ge 3 0.60 0.49 0.015 21. BD ( 1) C 13 - H 14 /***. BD*( 1) C 5 - C 6 3.68 0.94 0.053 21. BD ( 1) C 13 - H 14 /***. BD*( 1) C 15 - H 16 2.51 0.78 0.040 21. BD ( 1) C 13 - H 14 /***. BD*( 1) C 19 - H 22 2.20 0.79 0.037 22. BD ( 1) C 13 - C 15 /341. RY*( 2) C 5 0.80 1.80 0.034 22. BD ( 1) C 13 - C 15 /463. RY*( 1) H 14 0.92 1.50 0.033 22. BD ( 1) C 13 - C 15 /501. RY*( 1) C 19 1.03 1.26 0.032 22. BD ( 1) C 13 - C 15 /***. BD*( 1) C 4 - C 5 2.30 1.05 0.044 22. BD ( 1) C 13 - C 15 /***. BD*( 2) C 4 - C 5 1.34 0.55 0.027 22. BD ( 1) C 13 - C 15 /***. BD*( 1) C 5 - C 13 1.23 0.90 0.030 22. BD ( 1) C 13 - C 15 /***. BD*( 1) C 13 - H 14 0.80 0.94 0.024 22. BD ( 1) C 13 - C 15 /***. BD*( 1) C 13 - C 19 0.74 0.86 0.022 22. BD ( 1) C 13 - C 15 /***. BD*( 1) C 19 - H 20 1.57 0.92 0.034 23. BD ( 1) C 13 - C 19 /342. RY*( 3) C 5 1.48 1.35 0.040 23. BD ( 1) C 13 - C 19 /468. RY*( 1) C 15 1.06 1.25 0.033 23. BD ( 1) C 13 - C 19 /***. BD*( 1) C 4 - C 5 1.19 1.04 0.032 23. BD ( 1) C 13 - C 19 /***. BD*( 2) C 4 - C 5 2.53 0.54 0.036 23. BD ( 1) C 13 - C 19 /***. BD*( 1) C 5 - C 13 1.18 0.90 0.029 23. BD ( 1) C 13 - C 19 /***. BD*( 1) C 13 - H 14 0.77 0.93 0.024 23. BD ( 1) C 13 - C 19 /***. BD*( 1) C 13 - C 15 0.67 0.86 0.021 23. BD ( 1) C 13 - C 19 /***. BD*( 1) C 15 - H 18 1.60 0.90 0.034 24. BD ( 1) C 15 - H 16 /446. RY*( 2) C 13 0.70 1.53 0.029 24. BD ( 1) C 15 - H 16 /***. BD*( 1) C 13 - H 14 2.26 0.84 0.039 25. BD ( 1) C 15 - H 17 /***. BD*( 1) C 5 - C 13 3.47 0.80 0.047 26. BD ( 1) C 15 - H 18 /445. RY*( 1) C 13 0.75 1.43 0.029 26. BD ( 1) C 15 - H 18 /447. RY*( 3) C 13 0.56 1.54 0.026 26. BD ( 1) C 15 - H 18 /***. BD*( 1) C 13 - C 19 3.10 0.76 0.043 27. BD ( 1) C 19 - H 20 /446. RY*( 2) C 13 0.73 1.52 0.030 27. BD ( 1) C 19 - H 20 /***. BD*( 1)As 2 -Ge 3 2.84 0.50 0.034 27. BD ( 1) C 19 - H 20 /***. BD*( 1) C 13 - C 15 2.82 0.76 0.041 28. BD ( 1) C 19 - H 21 /***. BD*( 1) C 5 - C 13 3.06 0.80 0.045 29. BD ( 1) C 19 - H 22 /446. RY*( 2) C 13 0.50 1.52 0.025 29. BD ( 1) C 19 - H 22 /***. BD*( 1) C 13 - H 14 2.61 0.84 0.042 30. BD ( 1) C 23 - H 24 /428. RY*( 2) C 12 0.71 1.52 0.030 30. BD ( 1) C 23 - H 24 /***. BD*( 1) C 10 - C 12 3.24 0.94 0.049 30. BD ( 1) C 23 - H 24 /***. BD*( 2) C 10 - C 12 1.04 0.44 0.021 30. BD ( 1) C 23 - H 24 /***. BD*( 1) C 25 - H 26 2.61 0.78 0.041 30. BD ( 1) C 23 - H 24 /***. BD*( 1) C 29 - H 32 2.36 0.78 0.039 31. BD ( 1) C 23 - C 25 /429. RY*( 3) C 12 0.72 1.50 0.030 31. BD ( 1) C 23 - C 25 /552. RY*( 1) H 24 0.67 1.21 0.025 31. BD ( 1) C 23 - C 25 /590. RY*( 1) C 29 1.05 1.25 0.033 31. BD ( 1) C 23 - C 25 /***. BD*( 1) C 4 - C 12 2.76 1.05 0.048 31. BD ( 1) C 23 - C 25 /***. BD*( 1) C 12 - C 23 1.24 0.90 0.030 31. BD ( 1) C 23 - C 25 /***. BD*( 1) C 23 - H 24 0.68 0.94 0.023 31. BD ( 1) C 23 - C 25 /***. BD*( 1) C 23 - C 29 0.76 0.86 0.023 31. BD ( 1) C 23 - C 25 /***. BD*( 1) C 25 - H 27 0.50 0.90 0.019 31. BD ( 1) C 23 - C 25 /***. BD*( 1) C 29 - H 30 1.56 0.92 0.034 32. BD ( 1) C 23 - C 29 /429. RY*( 3) C 12 1.08 1.49 0.036 32. BD ( 1) C 23 - C 29 /557. RY*( 1) C 25 1.00 1.25 0.032 32. BD ( 1) C 23 - C 29 /***. BD*( 1) C 10 - C 12 0.64 1.05 0.023 32. BD ( 1) C 23 - C 29 /***. BD*( 2) C 10 - C 12 3.03 0.55 0.039 32. BD ( 1) C 23 - C 29 /***. BD*( 1) C 12 - C 23 1.22 0.89 0.029 32. BD ( 1) C 23 - C 29 /***. BD*( 1) C 23 - H 24 0.66 0.93 0.022 32. BD ( 1) C 23 - C 29 /***. BD*( 1) C 23 - C 25 0.68 0.86 0.022 32. BD ( 1) C 23 - C 29 /***. BD*( 1) C 25 - H 28 1.71 0.90 0.035 33. BD ( 1) C 25 - H 26 /535. RY*( 2) C 23 1.17 1.48 0.037 33. BD ( 1) C 25 - H 26 /***. BD*( 1) C 23 - H 24 2.17 0.84 0.038 34. BD ( 1) C 25 - H 27 /***. BD*( 1) C 12 - C 23 3.72 0.80 0.049 35. BD ( 1) C 25 - H 28 /534. RY*( 1) C 23 0.72 1.45 0.029 35. BD ( 1) C 25 - H 28 /536. RY*( 3) C 23 0.65 1.46 0.028 35. BD ( 1) C 25 - H 28 /***. BD*( 1) C 23 - C 29 2.97 0.76 0.043 36. BD ( 1) C 29 - H 30 /***. BD*( 1) C 23 - C 25 2.84 0.76 0.042 37. BD ( 1) C 29 - H 31 /535. RY*( 2) C 23 0.56 1.48 0.026 37. BD ( 1) C 29 - H 31 /***. BD*( 1) C 12 - C 23 2.91 0.80 0.043 38. BD ( 1) C 29 - H 32 /534. RY*( 1) C 23 0.62 1.44 0.027 38. BD ( 1) C 29 - H 32 /***. BD*( 1) C 23 - H 24 2.63 0.83 0.042 39. BD ( 1) C 33 - C 34 /228. LP*( 2)Ge 3 6.25 0.59 0.057 39. BD ( 1) C 33 - C 34 /230. RY*( 2)As 1 0.75 1.90 0.034 39. BD ( 1) C 33 - C 34 /625. RY*( 3) C 33 0.51 1.81 0.027 39. BD ( 1) C 33 - C 34 /657. RY*( 17) C 34 0.55 21.42 0.098 39. BD ( 1) C 33 - C 34 /659. RY*( 1) C 35 0.54 2.03 0.030 39. BD ( 1) C 33 - C 34 /728. RY*( 1) C 41 2.12 1.91 0.057 39. BD ( 1) C 33 - C 34 /730. RY*( 3) C 41 0.98 1.69 0.037 39. BD ( 1) C 33 - C 34 /746. RY*( 1) C 42 0.57 1.60 0.027 39. BD ( 1) C 33 - C 34 /***. BD*( 1)As 1 - C 33 0.58 0.72 0.018 39. BD ( 1) C 33 - C 34 /***. BD*( 1) C 33 - C 41 2.58 1.12 0.048 39. BD ( 1) C 33 - C 34 /***. BD*( 1) C 34 - C 35 3.82 1.13 0.059 39. BD ( 1) C 33 - C 34 /***. BD*( 1) C 34 - C 42 2.92 0.99 0.048 39. BD ( 1) C 33 - C 34 /***. BD*( 1) C 35 - H 36 1.95 1.02 0.040 39. BD ( 1) C 33 - C 34 /***. BD*( 1) C 41 - C 52 3.69 0.99 0.054 39. BD ( 1) C 33 - C 34 /***. BD*( 1) C 42 - C 48 0.57 0.95 0.021 40. BD ( 2) C 33 - C 34 /228. LP*( 2)Ge 3 9.88 0.20 0.041 40. BD ( 2) C 33 - C 34 /661. RY*( 3) C 35 1.26 0.83 0.032 40. BD ( 2) C 33 - C 34 /729. RY*( 2) C 41 0.71 1.16 0.028 40. BD ( 2) C 33 - C 34 /730. RY*( 3) C 41 0.50 1.30 0.025 40. BD ( 2) C 33 - C 34 /***. BD*( 1) C 23 - H 24 0.54 0.64 0.018 40. BD ( 2) C 33 - C 34 /***. BD*( 2) C 35 - C 37 11.43 0.24 0.047 40. BD ( 2) C 33 - C 34 /***. BD*( 2) C 39 - C 41 15.66 0.25 0.056 40. BD ( 2) C 33 - C 34 /***. BD*( 1) C 42 - C 44 2.21 0.56 0.034 40. BD ( 2) C 33 - C 34 /***. BD*( 1) C 42 - C 48 1.82 0.56 0.031 41. BD ( 1) C 33 - C 41 /228. LP*( 2)Ge 3 5.00 0.58 0.051 41. BD ( 1) C 33 - C 41 /230. RY*( 2)As 1 0.72 1.90 0.033 41. BD ( 1) C 33 - C 41 /641. RY*( 1) C 34 2.12 1.90 0.057 41. BD ( 1) C 33 - C 41 /705. RY*( 1) C 39 0.58 2.03 0.031 41. BD ( 1) C 33 - C 41 /709. RY*( 5) C 39 0.55 2.86 0.036 41. BD ( 1) C 33 - C 41 /743. RY*( 16) C 41 0.63 21.48 0.105 41. BD ( 1) C 33 - C 41 /***. BD*( 1)As 1 -Ge 3 0.68 0.68 0.019 41. BD ( 1) C 33 - C 41 /***. BD*( 1)As 1 - C 33 0.52 0.71 0.017 41. BD ( 1) C 33 - C 41 /***. BD*( 1) C 33 - C 34 2.54 1.11 0.047 41. BD ( 1) C 33 - C 41 /***. BD*( 1) C 34 - C 42 4.09 0.99 0.057 41. BD ( 1) C 33 - C 41 /***. BD*( 1) C 39 - H 40 2.11 1.02 0.042 41. BD ( 1) C 33 - C 41 /***. BD*( 1) C 39 - C 41 4.05 1.14 0.061 41. BD ( 1) C 33 - C 41 /***. BD*( 1) C 41 - C 52 2.80 0.99 0.047 41. BD ( 1) C 33 - C 41 /***. BD*( 1) C 52 - C 54 0.86 0.95 0.026 42. BD ( 1) C 34 - C 35 /228. LP*( 2)Ge 3 1.64 0.58 0.029 42. BD ( 1) C 34 - C 35 /623. RY*( 1) C 33 0.96 2.04 0.040 42. BD ( 1) C 34 - C 35 /672. RY*( 14) C 35 0.66 17.88 0.098 42. BD ( 1) C 34 - C 35 /682. RY*( 1) C 37 0.79 2.09 0.037 42. BD ( 1) C 34 - C 35 /683. RY*( 2) C 37 1.50 2.14 0.051 42. BD ( 1) C 34 - C 35 /746. RY*( 1) C 42 2.05 1.59 0.051 42. BD ( 1) C 34 - C 35 /***. BD*( 1)As 1 - C 33 4.53 0.71 0.051 42. BD ( 1) C 34 - C 35 /***. BD*( 1) C 33 - C 34 4.12 1.11 0.060 42. BD ( 1) C 34 - C 35 /***. BD*( 1) C 34 - C 42 1.76 0.98 0.037 42. BD ( 1) C 34 - C 35 /***. BD*( 1) C 35 - H 36 1.16 1.01 0.031 42. BD ( 1) C 34 - C 35 /***. BD*( 1) C 35 - C 37 3.29 1.14 0.055 42. BD ( 1) C 34 - C 35 /***. BD*( 1) C 37 - H 38 2.17 1.00 0.042 42. BD ( 1) C 34 - C 35 /***. BD*( 1) C 42 - H 43 1.01 1.04 0.029 43. BD ( 1) C 34 - C 42 /228. LP*( 2)Ge 3 2.83 0.51 0.035 43. BD ( 1) C 34 - C 42 /623. RY*( 1) C 33 1.60 1.97 0.051 43. BD ( 1) C 34 - C 42 /659. RY*( 1) C 35 1.46 1.95 0.048 43. BD ( 1) C 34 - C 42 /803. RY*( 2) C 48 0.57 1.32 0.025 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 33 - C 34 3.01 1.03 0.050 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 33 - C 41 2.53 1.04 0.046 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 34 - C 35 1.82 1.05 0.039 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 35 - C 37 2.82 1.07 0.049 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 42 - H 43 0.71 0.97 0.023 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 42 - C 44 0.89 0.87 0.025 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 42 - C 48 0.87 0.87 0.025 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 44 - H 46 1.11 0.91 0.029 43. BD ( 1) C 34 - C 42 /***. BD*( 1) C 48 - H 50 0.99 0.91 0.027 44. BD ( 1) C 35 - H 36 /641. RY*( 1) C 34 1.61 1.73 0.047 44. BD ( 1) C 35 - H 36 /682. RY*( 1) C 37 1.40 1.93 0.047 44. BD ( 1) C 35 - H 36 /***. BD*( 1) C 33 - C 34 4.93 0.94 0.061 44. BD ( 1) C 35 - H 36 /***. BD*( 1) C 34 - C 35 0.88 0.96 0.026 44. BD ( 1) C 35 - H 36 /***. BD*( 1) C 37 - H 38 0.59 0.84 0.020 44. BD ( 1) C 35 - H 36 /***. BD*( 1) C 37 - C 39 3.61 0.97 0.053 45. BD ( 1) C 35 - C 37 /641. RY*( 1) C 34 0.50 1.91 0.028 45. BD ( 1) C 35 - C 37 /642. RY*( 2) C 34 1.61 1.74 0.047 45. BD ( 1) C 35 - C 37 /643. RY*( 3) C 34 0.68 1.54 0.029 45. BD ( 1) C 35 - C 37 /705. RY*( 1) C 39 0.74 2.05 0.035 45. BD ( 1) C 35 - C 37 /706. RY*( 2) C 39 1.32 1.91 0.045 45. BD ( 1) C 35 - C 37 /***. BD*( 1) C 34 - C 35 3.73 1.14 0.058 45. BD ( 1) C 35 - C 37 /***. BD*( 1) C 34 - C 42 3.02 1.00 0.049 45. BD ( 1) C 35 - C 37 /***. BD*( 1) C 35 - H 36 1.07 1.03 0.030 45. BD ( 1) C 35 - C 37 /***. BD*( 1) C 37 - H 38 1.00 1.02 0.029 45. BD ( 1) C 35 - C 37 /***. BD*( 1) C 37 - C 39 2.76 1.15 0.050 45. BD ( 1) C 35 - C 37 /***. BD*( 1) C 39 - H 40 2.50 1.03 0.045 46. BD ( 2) C 35 - C 37 /707. RY*( 3) C 39 0.77 0.93 0.026 46. BD ( 2) C 35 - C 37 /***. BD*( 2) C 33 - C 34 17.81 0.22 0.057 46. BD ( 2) C 35 - C 37 /***. BD*( 2) C 39 - C 41 13.52 0.24 0.051 47. BD ( 1) C 37 - H 38 /659. RY*( 1) C 35 1.40 1.86 0.046 47. BD ( 1) C 37 - H 38 /705. RY*( 1) C 39 1.40 1.87 0.046 47. BD ( 1) C 37 - H 38 /***. BD*( 1) C 34 - C 35 4.15 0.97 0.057 47. BD ( 1) C 37 - H 38 /***. BD*( 1) C 35 - H 36 0.60 0.85 0.020 47. BD ( 1) C 37 - H 38 /***. BD*( 1) C 39 - H 40 0.59 0.86 0.020 47. BD ( 1) C 37 - H 38 /***. BD*( 1) C 39 - C 41 4.03 0.98 0.056 48. BD ( 1) C 37 - C 39 /659. RY*( 1) C 35 0.74 2.03 0.035 48. BD ( 1) C 37 - C 39 /660. RY*( 2) C 35 1.39 2.02 0.047 48. BD ( 1) C 37 - C 39 /728. RY*( 1) C 41 0.56 1.91 0.029 48. BD ( 1) C 37 - C 39 /729. RY*( 2) C 41 1.01 1.55 0.036 48. BD ( 1) C 37 - C 39 /730. RY*( 3) C 41 1.21 1.70 0.041 48. BD ( 1) C 37 - C 39 /***. BD*( 1) C 35 - H 36 2.62 1.02 0.046 48. BD ( 1) C 37 - C 39 /***. BD*( 1) C 35 - C 37 2.79 1.15 0.051 48. BD ( 1) C 37 - C 39 /***. BD*( 1) C 37 - H 38 0.94 1.02 0.028 48. BD ( 1) C 37 - C 39 /***. BD*( 1) C 39 - H 40 0.99 1.02 0.029 48. BD ( 1) C 37 - C 39 /***. BD*( 1) C 39 - C 41 3.73 1.14 0.058 48. BD ( 1) C 37 - C 39 /***. BD*( 1) C 41 - C 52 3.32 1.00 0.052 49. BD ( 1) C 39 - H 40 /682. RY*( 1) C 37 1.39 1.93 0.046 49. BD ( 1) C 39 - H 40 /728. RY*( 1) C 41 1.70 1.74 0.049 49. BD ( 1) C 39 - H 40 /***. BD*( 1) C 33 - C 41 4.98 0.95 0.061 49. BD ( 1) C 39 - H 40 /***. BD*( 1) C 35 - C 37 3.53 0.98 0.053 49. BD ( 1) C 39 - H 40 /***. BD*( 1) C 37 - H 38 0.58 0.84 0.020 49. BD ( 1) C 39 - H 40 /***. BD*( 1) C 39 - C 41 0.97 0.97 0.028 50. BD ( 1) C 39 - C 41 /228. LP*( 2)Ge 3 0.77 0.59 0.020 50. BD ( 1) C 39 - C 41 /623. RY*( 1) C 33 0.57 2.05 0.031 50. BD ( 1) C 39 - C 41 /625. RY*( 3) C 33 0.55 1.81 0.028 50. BD ( 1) C 39 - C 41 /682. RY*( 1) C 37 0.82 2.10 0.037 50. BD ( 1) C 39 - C 41 /683. RY*( 2) C 37 1.42 2.14 0.050 50. BD ( 1) C 39 - C 41 /721. RY*( 17) C 39 0.59 17.73 0.092 50. BD ( 1) C 39 - C 41 /835. RY*( 1) C 52 1.53 1.57 0.044 50. BD ( 1) C 39 - C 41 /***. BD*( 1)As 1 - C 33 4.10 0.72 0.049 50. BD ( 1) C 39 - C 41 /***. BD*( 1) C 33 - C 41 4.34 1.11 0.062 50. BD ( 1) C 39 - C 41 /***. BD*( 1) C 37 - H 38 2.09 1.01 0.041 50. BD ( 1) C 39 - C 41 /***. BD*( 1) C 37 - C 39 3.23 1.14 0.054 50. BD ( 1) C 39 - C 41 /***. BD*( 1) C 39 - H 40 1.28 1.02 0.032 50. BD ( 1) C 39 - C 41 /***. BD*( 1) C 41 - C 52 2.00 0.99 0.040 50. BD ( 1) C 39 - C 41 /***. BD*( 1) C 52 - H 53 0.87 1.03 0.027 51. BD ( 2) C 39 - C 41 /624. RY*( 2) C 33 0.56 1.15 0.025 51. BD ( 2) C 39 - C 41 /684. RY*( 3) C 37 1.04 0.78 0.028 51. BD ( 2) C 39 - C 41 /***. BD*( 2) C 33 - C 34 11.25 0.22 0.045 51. BD ( 2) C 39 - C 41 /***. BD*( 2) C 35 - C 37 16.29 0.23 0.055 51. BD ( 2) C 39 - C 41 /***. BD*( 1) C 52 - C 54 0.85 0.55 0.021 51. BD ( 2) C 39 - C 41 /***. BD*( 1) C 52 - C 58 2.36 0.55 0.035 52. BD ( 1) C 41 - C 52 /228. LP*( 2)Ge 3 1.07 0.51 0.022 52. BD ( 1) C 41 - C 52 /623. RY*( 1) C 33 1.43 1.97 0.048 52. BD ( 1) C 41 - C 52 /705. RY*( 1) C 39 1.53 1.96 0.049 52. BD ( 1) C 41 - C 52 /858. RY*( 1) C 54 0.52 1.27 0.023 52. BD ( 1) C 41 - C 52 /892. RY*( 2) C 58 0.74 1.36 0.029 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 33 - C 34 2.86 1.03 0.049 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 33 - C 41 3.01 1.04 0.050 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 37 - C 39 2.78 1.06 0.049 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 39 - C 41 1.97 1.06 0.041 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 52 - H 53 0.69 0.95 0.023 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 52 - C 54 0.91 0.88 0.025 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 52 - C 58 0.91 0.87 0.025 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 54 - H 56 0.92 0.91 0.026 52. BD ( 1) C 41 - C 52 /***. BD*( 1) C 58 - H 60 1.27 0.91 0.030 53. BD ( 1) C 42 - H 43 /228. LP*( 2)Ge 3 1.37 0.39 0.021 53. BD ( 1) C 42 - H 43 /***. BD*( 1)As 2 -Ge 3 1.97 0.49 0.028 53. BD ( 1) C 42 - H 43 /***. BD*( 1) C 34 - C 35 3.89 0.93 0.054 53. BD ( 1) C 42 - H 43 /***. BD*( 1) C 34 - C 42 0.55 0.79 0.019 53. BD ( 1) C 42 - H 43 /***. BD*( 1) C 44 - H 45 2.28 0.78 0.038 53. BD ( 1) C 42 - H 43 /***. BD*( 1) C 48 - H 51 2.32 0.79 0.039 54. BD ( 1) C 42 - C 44 /642. RY*( 2) C 34 0.68 1.63 0.030 54. BD ( 1) C 42 - C 44 /764. RY*( 1) H 43 0.84 1.44 0.031 54. BD ( 1) C 42 - C 44 /802. RY*( 1) C 48 0.94 1.24 0.031 54. BD ( 1) C 42 - C 44 /***. BD*( 1) C 33 - C 34 1.59 1.02 0.036 54. BD ( 1) C 42 - C 44 /***. BD*( 2) C 33 - C 34 2.42 0.52 0.035 54. BD ( 1) C 42 - C 44 /***. BD*( 1) C 34 - C 42 1.24 0.89 0.030 54. BD ( 1) C 42 - C 44 /***. BD*( 1) C 42 - H 43 0.96 0.95 0.027 54. BD ( 1) C 42 - C 44 /***. BD*( 1) C 42 - C 48 0.73 0.85 0.022 54. BD ( 1) C 42 - C 44 /***. BD*( 1) C 48 - H 49 1.50 0.92 0.033 55. BD ( 1) C 42 - C 48 /228. LP*( 2)Ge 3 0.67 0.49 0.017 55. BD ( 1) C 42 - C 48 /643. RY*( 3) C 34 0.99 1.43 0.034 55. BD ( 1) C 42 - C 48 /769. RY*( 1) C 44 0.97 1.26 0.031 55. BD ( 1) C 42 - C 48 /***. BD*( 1) C 33 - C 34 2.25 1.02 0.043 55. BD ( 1) C 42 - C 48 /***. BD*( 2) C 33 - C 34 1.89 0.52 0.031 55. BD ( 1) C 42 - C 48 /***. BD*( 1) C 34 - C 42 1.25 0.89 0.030 55. BD ( 1) C 42 - C 48 /***. BD*( 1) C 42 - H 43 0.75 0.95 0.024 55. BD ( 1) C 42 - C 48 /***. BD*( 1) C 42 - C 44 0.70 0.86 0.022 55. BD ( 1) C 42 - C 48 /***. BD*( 1) C 44 - H 47 1.60 0.92 0.035 56. BD ( 1) C 44 - H 45 /747. RY*( 2) C 42 0.75 1.38 0.029 56. BD ( 1) C 44 - H 45 /***. BD*( 1) C 42 - H 43 2.49 0.86 0.041 57. BD ( 1) C 44 - H 46 /***. BD*( 1) C 34 - C 42 3.34 0.80 0.046 58. BD ( 1) C 44 - H 47 /746. RY*( 1) C 42 0.66 1.41 0.027 58. BD ( 1) C 44 - H 47 /***. BD*( 1) C 42 - C 48 3.01 0.76 0.043 59. BD ( 1) C 48 - H 49 /228. LP*( 2)Ge 3 0.99 0.40 0.019 59. BD ( 1) C 48 - H 49 /746. RY*( 1) C 42 0.73 1.41 0.029 59. BD ( 1) C 48 - H 49 /***. BD*( 1)As 1 -Ge 3 0.57 0.49 0.015 59. BD ( 1) C 48 - H 49 /***. BD*( 1)As 2 -Ge 3 1.57 0.50 0.025 59. BD ( 1) C 48 - H 49 /***. BD*( 1) C 42 - C 44 2.80 0.76 0.041 60. BD ( 1) C 48 - H 50 /747. RY*( 2) C 42 0.57 1.38 0.025 60. BD ( 1) C 48 - H 50 /***. BD*( 1) C 34 - C 42 3.50 0.80 0.047 61. BD ( 1) C 48 - H 51 /747. RY*( 2) C 42 0.54 1.38 0.024 61. BD ( 1) C 48 - H 51 /***. BD*( 1) C 42 - H 43 2.32 0.86 0.040 62. BD ( 1) C 52 - H 53 /***. BD*( 1)As 1 - C 4 1.72 0.55 0.028 62. BD ( 1) C 52 - H 53 /***. BD*( 1)As 1 - C 33 0.62 0.51 0.016 62. BD ( 1) C 52 - H 53 /***. BD*( 1) C 39 - C 41 3.76 0.94 0.053 62. BD ( 1) C 52 - H 53 /***. BD*( 1) C 54 - H 55 2.61 0.78 0.041 62. BD ( 1) C 52 - H 53 /***. BD*( 1) C 58 - H 61 2.34 0.78 0.038 63. BD ( 1) C 52 - C 54 /730. RY*( 3) C 41 1.14 1.60 0.038 63. BD ( 1) C 52 - C 54 /891. RY*( 1) C 58 1.03 1.25 0.032 63. BD ( 1) C 52 - C 54 /***. BD*( 1) C 33 - C 41 2.65 1.03 0.047 63. BD ( 1) C 52 - C 54 /***. BD*( 2) C 39 - C 41 0.73 0.55 0.019 63. BD ( 1) C 52 - C 54 /***. BD*( 1) C 41 - C 52 1.28 0.90 0.030 63. BD ( 1) C 52 - C 54 /***. BD*( 1) C 52 - H 53 0.76 0.94 0.024 63. BD ( 1) C 52 - C 54 /***. BD*( 1) C 52 - C 58 0.77 0.86 0.023 63. BD ( 1) C 52 - C 54 /***. BD*( 1) C 58 - H 59 1.44 0.92 0.033 64. BD ( 1) C 52 - C 58 /729. RY*( 2) C 41 1.07 1.45 0.036 64. BD ( 1) C 52 - C 58 /858. RY*( 1) C 54 0.85 1.26 0.030 64. BD ( 1) C 52 - C 58 /***. BD*( 1) C 33 - C 41 0.89 1.02 0.027 64. BD ( 1) C 52 - C 58 /***. BD*( 2) C 39 - C 41 2.94 0.54 0.038 64. BD ( 1) C 52 - C 58 /***. BD*( 1) C 41 - C 52 1.24 0.90 0.030 64. BD ( 1) C 52 - C 58 /***. BD*( 1) C 52 - H 53 0.78 0.94 0.024 64. BD ( 1) C 52 - C 58 /***. BD*( 1) C 52 - C 54 0.71 0.86 0.022 64. BD ( 1) C 52 - C 58 /***. BD*( 1) C 54 - H 57 1.57 0.91 0.034 65. BD ( 1) C 54 - H 55 /836. RY*( 2) C 52 0.78 1.53 0.031 65. BD ( 1) C 54 - H 55 /***. BD*( 1) C 52 - H 53 2.23 0.85 0.039 66. BD ( 1) C 54 - H 56 /836. RY*( 2) C 52 0.51 1.52 0.025 66. BD ( 1) C 54 - H 56 /***. BD*( 1) C 41 - C 52 3.69 0.80 0.049 67. BD ( 1) C 54 - H 57 /835. RY*( 1) C 52 0.59 1.38 0.026 67. BD ( 1) C 54 - H 57 /***. BD*( 1)As 2 - C 83 0.60 0.53 0.016 67. BD ( 1) C 54 - H 57 /***. BD*( 1) C 52 - C 58 3.11 0.76 0.044 68. BD ( 1) C 58 - H 59 /835. RY*( 1) C 52 0.84 1.38 0.030 68. BD ( 1) C 58 - H 59 /***. BD*( 1) C 52 - C 54 3.18 0.77 0.044 69. BD ( 1) C 58 - H 60 /***. BD*( 1) C 41 - C 52 3.02 0.80 0.044 70. BD ( 1) C 58 - H 61 /836. RY*( 2) C 52 0.61 1.52 0.027 70. BD ( 1) C 58 - H 61 /***. BD*( 1) C 52 - H 53 2.46 0.84 0.041 71. BD ( 1) C 62 - C 63 /925. RY*( 2) C 62 0.51 1.99 0.029 71. BD ( 1) C 62 - C 63 /957. RY*( 16) C 63 0.58 20.26 0.097 71. BD ( 1) C 62 - C 63 /965. RY*( 6) C 64 0.66 2.75 0.038 71. BD ( 1) C 62 - C 63 /***. RY*( 1) C 70 1.52 1.97 0.049 71. BD ( 1) C 62 - C 63 /***. RY*( 2) C 70 0.84 1.78 0.035 71. BD ( 1) C 62 - C 63 /***. RY*( 1) C 71 0.54 1.61 0.027 71. BD ( 1) C 62 - C 63 /***. BD*( 1)As 2 - C 62 0.81 0.75 0.022 71. BD ( 1) C 62 - C 63 /***. BD*( 1) C 62 - C 70 3.40 1.14 0.056 71. BD ( 1) C 62 - C 63 /***. BD*( 1) C 63 - C 64 3.97 1.14 0.060 71. BD ( 1) C 62 - C 63 /***. BD*( 1) C 63 - C 71 2.89 0.99 0.048 71. BD ( 1) C 62 - C 63 /***. BD*( 1) C 64 - H 65 2.09 1.02 0.041 71. BD ( 1) C 62 - C 63 /***. BD*( 1) C 70 - C 81 3.91 0.99 0.056 71. BD ( 1) C 62 - C 63 /***. BD*( 1) C 71 - C 73 0.64 0.95 0.022 72. BD ( 2) C 62 - C 63 /962. RY*( 3) C 64 1.32 0.76 0.031 72. BD ( 2) C 62 - C 63 /***. RY*( 3) C 70 0.93 1.10 0.031 72. BD ( 2) C 62 - C 63 /***. BD*( 1)As 2 - C 83 1.67 0.31 0.022 72. BD ( 2) C 62 - C 63 /***. BD*( 2) C 64 - C 66 13.93 0.23 0.051 72. BD ( 2) C 62 - C 63 /***. BD*( 2) C 68 - C 70 16.55 0.23 0.056 72. BD ( 2) C 62 - C 63 /***. BD*( 1) C 71 - C 73 1.72 0.54 0.030 72. BD ( 2) C 62 - C 63 /***. BD*( 1) C 71 - C 77 2.66 0.54 0.037 72. BD ( 2) C 62 - C 63 /***. BD*( 1) C 92 - H 93 0.86 0.64 0.023 73. BD ( 1) C 62 - C 70 /942. RY*( 1) C 63 1.38 2.00 0.047 73. BD ( 1) C 62 - C 70 /943. RY*( 2) C 63 0.96 1.89 0.038 73. BD ( 1) C 62 - C 70 /***. RY*( 5) C 68 0.58 2.75 0.036 73. BD ( 1) C 62 - C 70 /***. RY*( 16) C 70 0.58 21.04 0.099 73. BD ( 1) C 62 - C 70 /***. RY*( 1) C 81 0.69 1.56 0.030 73. BD ( 1) C 62 - C 70 /***. BD*( 1)As 2 -Ge 3 0.66 0.68 0.019 73. BD ( 1) C 62 - C 70 /***. BD*( 1)As 2 - C 62 0.87 0.75 0.023 73. BD ( 1) C 62 - C 70 /***. BD*( 1) C 62 - C 63 3.32 1.14 0.055 73. BD ( 1) C 62 - C 70 /***. BD*( 1) C 63 - C 71 3.97 0.99 0.056 73. BD ( 1) C 62 - C 70 /***. BD*( 1) C 68 - H 69 2.12 1.02 0.042 73. BD ( 1) C 62 - C 70 /***. BD*( 1) C 68 - C 70 3.99 1.14 0.060 73. BD ( 1) C 62 - C 70 /***. BD*( 1) C 70 - C 81 2.83 0.99 0.047 73. BD ( 1) C 62 - C 70 /***. BD*( 1) C 81 - C 112 0.55 0.95 0.020 74. BD ( 1) C 63 - C 64 /924. RY*( 1) C 62 1.16 2.01 0.043 74. BD ( 1) C 63 - C 64 /976. RY*( 17) C 64 0.58 18.79 0.094 74. BD ( 1) C 63 - C 64 /983. RY*( 1) C 66 0.75 2.08 0.035 74. BD ( 1) C 63 - C 64 /984. RY*( 2) C 66 1.47 2.12 0.050 74. BD ( 1) C 63 - C 64 /***. RY*( 1) C 71 1.50 1.60 0.044 74. BD ( 1) C 63 - C 64 /***. BD*( 1)As 2 - C 62 4.77 0.74 0.054 74. BD ( 1) C 63 - C 64 /***. BD*( 1) C 62 - C 63 4.37 1.13 0.063 74. BD ( 1) C 63 - C 64 /***. BD*( 1) C 63 - C 71 1.92 0.98 0.039 74. BD ( 1) C 63 - C 64 /***. BD*( 1) C 64 - H 65 1.15 1.01 0.031 74. BD ( 1) C 63 - C 64 /***. BD*( 1) C 64 - C 66 3.12 1.14 0.053 74. BD ( 1) C 63 - C 64 /***. BD*( 1) C 66 - H 67 2.15 1.00 0.042 74. BD ( 1) C 63 - C 64 /***. BD*( 1) C 71 - H 72 0.97 1.02 0.028 75. BD ( 1) C 63 - C 71 /924. RY*( 1) C 62 1.43 1.93 0.047 75. BD ( 1) C 63 - C 71 /960. RY*( 1) C 64 1.41 1.98 0.048 75. BD ( 1) C 63 - C 71 /***. RY*( 2) C 77 0.59 1.47 0.026 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 62 - C 63 2.91 1.06 0.050 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 62 - C 70 2.86 1.06 0.049 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 63 - C 64 1.88 1.06 0.040 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 64 - C 66 2.67 1.07 0.048 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 71 - H 72 0.71 0.95 0.023 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 71 - C 73 0.88 0.87 0.025 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 71 - C 77 0.95 0.87 0.026 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 73 - H 75 1.04 0.91 0.028 75. BD ( 1) C 63 - C 71 /***. BD*( 1) C 77 - H 79 1.21 0.91 0.030 76. BD ( 1) C 64 - H 65 /942. RY*( 1) C 63 1.74 1.83 0.051 76. BD ( 1) C 64 - H 65 /983. RY*( 1) C 66 1.45 1.92 0.047 76. BD ( 1) C 64 - H 65 /***. BD*( 1) C 62 - C 63 4.74 0.97 0.061 76. BD ( 1) C 64 - H 65 /***. BD*( 1) C 63 - C 64 0.78 0.97 0.025 76. BD ( 1) C 64 - H 65 /***. BD*( 1) C 66 - H 67 0.58 0.84 0.020 76. BD ( 1) C 64 - H 65 /***. BD*( 1) C 66 - C 68 3.56 0.98 0.053 77. BD ( 1) C 64 - C 66 /942. RY*( 1) C 63 0.86 2.00 0.037 77. BD ( 1) C 64 - C 66 /943. RY*( 2) C 63 1.50 1.89 0.048 77. BD ( 1) C 64 - C 66 /***. RY*( 1) C 68 0.70 2.06 0.034 77. BD ( 1) C 64 - C 66 /***. RY*( 2) C 68 1.36 1.93 0.046 77. BD ( 1) C 64 - C 66 /***. BD*( 1) C 63 - C 64 3.62 1.14 0.057 77. BD ( 1) C 64 - C 66 /***. BD*( 1) C 63 - C 71 3.22 0.99 0.051 77. BD ( 1) C 64 - C 66 /***. BD*( 1) C 64 - H 65 1.02 1.02 0.029 77. BD ( 1) C 64 - C 66 /***. BD*( 1) C 66 - H 67 0.98 1.01 0.028 77. BD ( 1) C 64 - C 66 /***. BD*( 1) C 66 - C 68 2.84 1.15 0.051 77. BD ( 1) C 64 - C 66 /***. BD*( 1) C 68 - H 69 2.62 1.02 0.046 78. BD ( 2) C 64 - C 66 /***. RY*( 3) C 68 0.68 0.93 0.025 78. BD ( 2) C 64 - C 66 /***. BD*( 2) C 62 - C 63 16.29 0.23 0.056 78. BD ( 2) C 64 - C 66 /***. BD*( 2) C 68 - C 70 14.28 0.24 0.052 79. BD ( 1) C 66 - H 67 /960. RY*( 1) C 64 1.43 1.90 0.047 79. BD ( 1) C 66 - H 67 /***. RY*( 1) C 68 1.38 1.89 0.046 79. BD ( 1) C 66 - H 67 /***. BD*( 1) C 63 - C 64 4.06 0.97 0.056 79. BD ( 1) C 66 - H 67 /***. BD*( 1) C 64 - H 65 0.58 0.85 0.020 79. BD ( 1) C 66 - H 67 /***. BD*( 1) C 68 - H 69 0.57 0.85 0.020 79. BD ( 1) C 66 - H 67 /***. BD*( 1) C 68 - C 70 4.05 0.97 0.056 80. BD ( 1) C 66 - C 68 /960. RY*( 1) C 64 0.68 2.07 0.034 80. BD ( 1) C 66 - C 68 /961. RY*( 2) C 64 1.36 1.99 0.047 80. BD ( 1) C 66 - C 68 /***. RY*( 1) C 70 0.89 1.98 0.038 80. BD ( 1) C 66 - C 68 /***. RY*( 2) C 70 1.45 1.78 0.046 80. BD ( 1) C 66 - C 68 /***. BD*( 1) C 64 - H 65 2.55 1.02 0.046 80. BD ( 1) C 66 - C 68 /***. BD*( 1) C 64 - C 66 2.80 1.15 0.051 80. BD ( 1) C 66 - C 68 /***. BD*( 1) C 66 - H 67 1.01 1.01 0.029 80. BD ( 1) C 66 - C 68 /***. BD*( 1) C 68 - H 69 1.02 1.02 0.029 80. BD ( 1) C 66 - C 68 /***. BD*( 1) C 68 - C 70 3.69 1.14 0.058 80. BD ( 1) C 66 - C 68 /***. BD*( 1) C 70 - C 81 3.26 0.99 0.051 81. BD ( 1) C 68 - H 69 /983. RY*( 1) C 66 1.43 1.92 0.047 81. BD ( 1) C 68 - H 69 /***. RY*( 1) C 70 1.70 1.80 0.050 81. BD ( 1) C 68 - H 69 /***. BD*( 1) C 62 - C 70 4.82 0.97 0.061 81. BD ( 1) C 68 - H 69 /***. BD*( 1) C 64 - C 66 3.55 0.98 0.053 81. BD ( 1) C 68 - H 69 /***. BD*( 1) C 66 - H 67 0.57 0.84 0.020 81. BD ( 1) C 68 - H 69 /***. BD*( 1) C 68 - C 70 0.81 0.97 0.025 82. BD ( 1) C 68 - C 70 /924. RY*( 1) C 62 0.85 2.01 0.037 82. BD ( 1) C 68 - C 70 /925. RY*( 2) C 62 0.90 1.99 0.038 82. BD ( 1) C 68 - C 70 /983. RY*( 1) C 66 0.82 2.08 0.037 82. BD ( 1) C 68 - C 70 /984. RY*( 2) C 66 1.48 2.12 0.050 82. BD ( 1) C 68 - C 70 /***. RY*( 18) C 68 0.60 19.19 0.096 82. BD ( 1) C 68 - C 70 /***. RY*( 1) C 81 1.56 1.56 0.044 82. BD ( 1) C 68 - C 70 /***. BD*( 1)As 2 - C 62 4.74 0.74 0.053 82. BD ( 1) C 68 - C 70 /***. BD*( 1) C 62 - C 70 4.33 1.13 0.062 82. BD ( 1) C 68 - C 70 /***. BD*( 1) C 66 - H 67 2.19 1.01 0.042 82. BD ( 1) C 68 - C 70 /***. BD*( 1) C 66 - C 68 3.17 1.14 0.054 82. BD ( 1) C 68 - C 70 /***. BD*( 1) C 68 - H 69 1.15 1.01 0.031 82. BD ( 1) C 68 - C 70 /***. BD*( 1) C 70 - C 81 1.87 0.98 0.038 82. BD ( 1) C 68 - C 70 /***. BD*( 1) C 81 - H 82 0.99 1.02 0.028 83. BD ( 2) C 68 - C 70 /985. RY*( 3) C 66 1.23 0.74 0.030 83. BD ( 2) C 68 - C 70 /***. BD*( 2) C 62 - C 63 13.42 0.23 0.050 83. BD ( 2) C 68 - C 70 /***. BD*( 2) C 64 - C 66 16.22 0.23 0.055 83. BD ( 2) C 68 - C 70 /***. BD*( 1) C 81 - C 112 1.79 0.55 0.030 83. BD ( 2) C 68 - C 70 /***. BD*( 1) C 81 - C 116 1.76 0.54 0.030 83. BD ( 2) C 68 - C 70 /***. BD*( 1) C 94 - H 97 0.59 0.61 0.019 83. BD ( 2) C 68 - C 70 /***. BD*( 1) C 116 - H 118 0.51 0.58 0.017 84. BD ( 1) C 70 - C 81 /924. RY*( 1) C 62 1.47 1.93 0.048 84. BD ( 1) C 70 - C 81 /925. RY*( 2) C 62 0.53 1.91 0.029 84. BD ( 1) C 70 - C 81 /***. RY*( 1) C 68 1.48 1.97 0.049 84. BD ( 1) C 70 - C 81 /***. RY*( 2) C 112 0.73 1.36 0.028 84. BD ( 1) C 70 - C 81 /***. RY*( 2) C 116 0.60 1.32 0.025 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 62 - C 63 2.99 1.06 0.050 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 62 - C 70 2.84 1.06 0.049 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 66 - C 68 2.74 1.07 0.048 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 68 - C 70 1.85 1.06 0.040 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 81 - H 82 0.77 0.94 0.024 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 81 - C 112 0.96 0.87 0.026 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 81 - C 116 0.86 0.87 0.024 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 112 - H 113 1.14 0.90 0.029 84. BD ( 1) C 70 - C 81 /***. BD*( 1) C 116 - H 118 1.20 0.90 0.030 85. BD ( 1) C 71 - H 72 /228. LP*( 2)Ge 3 1.04 0.38 0.019 85. BD ( 1) C 71 - H 72 /943. RY*( 2) C 63 0.51 1.69 0.026 85. BD ( 1) C 71 - H 72 /***. BD*( 1)As 1 -Ge 3 0.79 0.48 0.017 85. BD ( 1) C 71 - H 72 /***. BD*( 1)As 2 -Ge 3 0.63 0.49 0.016 85. BD ( 1) C 71 - H 72 /***. BD*( 1)As 2 - C 83 0.56 0.52 0.015 85. BD ( 1) C 71 - H 72 /***. BD*( 1) C 63 - C 64 3.77 0.94 0.053 85. BD ( 1) C 71 - H 72 /***. BD*( 1) C 73 - H 74 2.51 0.78 0.040 85. BD ( 1) C 71 - H 72 /***. BD*( 1) C 77 - H 80 2.23 0.79 0.038 86. BD ( 1) C 71 - C 73 /943. RY*( 2) C 63 0.80 1.80 0.034 86. BD ( 1) C 71 - C 73 /***. RY*( 1) H 72 0.99 1.50 0.035 86. BD ( 1) C 71 - C 73 /***. RY*( 1) C 77 0.97 1.30 0.032 86. BD ( 1) C 71 - C 73 /***. BD*( 1) C 62 - C 63 2.17 1.05 0.043 86. BD ( 1) C 71 - C 73 /***. BD*( 2) C 62 - C 63 1.58 0.55 0.029 86. BD ( 1) C 71 - C 73 /***. BD*( 1) C 63 - C 71 1.24 0.90 0.030 86. BD ( 1) C 71 - C 73 /***. BD*( 1) C 71 - H 72 0.80 0.94 0.024 86. BD ( 1) C 71 - C 73 /***. BD*( 1) C 71 - C 77 0.72 0.86 0.022 86. BD ( 1) C 71 - C 73 /***. BD*( 1) C 77 - H 78 1.57 0.92 0.034 87. BD ( 1) C 71 - C 77 /944. RY*( 3) C 63 1.46 1.34 0.040 87. BD ( 1) C 71 - C 77 /***. RY*( 1) C 73 1.01 1.25 0.032 87. BD ( 1) C 71 - C 77 /***. BD*( 1) C 62 - C 63 1.28 1.05 0.033 87. BD ( 1) C 71 - C 77 /***. BD*( 2) C 62 - C 63 2.27 0.55 0.035 87. BD ( 1) C 71 - C 77 /***. BD*( 1) C 63 - C 71 1.17 0.90 0.029 87. BD ( 1) C 71 - C 77 /***. BD*( 1) C 71 - H 72 0.75 0.94 0.024 87. BD ( 1) C 71 - C 77 /***. BD*( 1) C 71 - C 73 0.67 0.86 0.021 87. BD ( 1) C 71 - C 77 /***. BD*( 1) C 73 - H 76 1.58 0.90 0.034 88. BD ( 1) C 73 - H 74 /***. RY*( 2) C 71 0.82 1.49 0.031 88. BD ( 1) C 73 - H 74 /***. BD*( 1) C 71 - H 72 2.29 0.84 0.039 89. BD ( 1) C 73 - H 75 /***. RY*( 2) C 71 0.52 1.48 0.025 89. BD ( 1) C 73 - H 75 /***. BD*( 1) C 63 - C 71 3.41 0.81 0.047 90. BD ( 1) C 73 - H 76 /***. RY*( 1) C 71 0.77 1.43 0.030 90. BD ( 1) C 73 - H 76 /***. RY*( 3) C 71 0.57 1.50 0.026 90. BD ( 1) C 73 - H 76 /***. BD*( 1) C 71 - C 77 3.12 0.76 0.044 91. BD ( 1) C 77 - H 78 /***. BD*( 1)As 1 -Ge 3 2.82 0.49 0.034 91. BD ( 1) C 77 - H 78 /***. BD*( 1) C 71 - C 73 2.80 0.76 0.041 92. BD ( 1) C 77 - H 79 /***. BD*( 1) C 63 - C 71 3.15 0.80 0.045 93. BD ( 1) C 77 - H 80 /***. BD*( 1) C 71 - H 72 2.56 0.84 0.042 94. BD ( 1) C 81 - H 82 /***. RY*( 2) C 70 0.51 1.58 0.026 94. BD ( 1) C 81 - H 82 /***. BD*( 1)As 2 -Ge 3 1.00 0.48 0.020 94. BD ( 1) C 81 - H 82 /***. BD*( 1)As 2 - C 62 0.53 0.55 0.015 94. BD ( 1) C 81 - H 82 /***. BD*( 1) C 68 - C 70 3.86 0.94 0.054 94. BD ( 1) C 81 - H 82 /***. BD*( 1) C 112 - H 115 2.50 0.78 0.040 94. BD ( 1) C 81 - H 82 /***. BD*( 1) C 116 - H 119 2.41 0.78 0.039 95. BD ( 1) C 81 - C 112 /***. RY*( 3) C 70 1.38 1.42 0.040 95. BD ( 1) C 81 - C 112 /***. RY*( 1) H 82 0.57 1.41 0.025 95. BD ( 1) C 81 - C 112 /***. RY*( 1) C 116 1.05 1.23 0.032 95. BD ( 1) C 81 - C 112 /***. BD*( 1) C 62 - C 70 1.75 1.05 0.038 95. BD ( 1) C 81 - C 112 /***. BD*( 2) C 68 - C 70 1.47 0.55 0.028 95. BD ( 1) C 81 - C 112 /***. BD*( 1) C 70 - C 81 1.22 0.90 0.030 95. BD ( 1) C 81 - C 112 /***. BD*( 1) C 81 - H 82 0.79 0.93 0.024 95. BD ( 1) C 81 - C 112 /***. BD*( 1) C 81 - C 116 0.66 0.86 0.021 95. BD ( 1) C 81 - C 112 /***. BD*( 1) C 116 - H 117 1.51 0.90 0.033 96. BD ( 1) C 81 - C 116 /***. RY*( 2) C 70 0.89 1.69 0.035 96. BD ( 1) C 81 - C 116 /***. RY*( 1) H 82 0.69 1.41 0.028 96. BD ( 1) C 81 - C 116 /***. RY*( 1) C 112 1.03 1.27 0.033 96. BD ( 1) C 81 - C 116 /***. BD*( 1) C 62 - C 70 1.76 1.05 0.038 96. BD ( 1) C 81 - C 116 /***. BD*( 2) C 68 - C 70 1.98 0.55 0.032 96. BD ( 1) C 81 - C 116 /***. BD*( 1) C 70 - C 81 1.30 0.90 0.031 96. BD ( 1) C 81 - C 116 /***. BD*( 1) C 81 - H 82 0.73 0.93 0.023 96. BD ( 1) C 81 - C 116 /***. BD*( 1) C 81 - C 112 0.64 0.86 0.021 96. BD ( 1) C 81 - C 116 /***. BD*( 1) C 112 - H 114 1.55 0.92 0.034 97. BD ( 1) C 83 - C 84 /228. LP*( 2)Ge 3 4.96 0.59 0.050 97. BD ( 1) C 83 - C 84 /261. RY*( 2)As 2 0.59 1.98 0.031 97. BD ( 1) C 83 - C 84 /***. RY*( 3) C 83 0.54 1.76 0.028 97. BD ( 1) C 83 - C 84 /***. RY*( 17) C 84 0.57 21.51 0.100 97. BD ( 1) C 83 - C 84 /***. RY*( 1) C 85 0.51 2.04 0.029 97. BD ( 1) C 83 - C 84 /***. RY*( 1) C 91 1.99 1.93 0.056 97. BD ( 1) C 83 - C 84 /***. RY*( 2) C 91 0.51 1.64 0.026 97. BD ( 1) C 83 - C 84 /***. RY*( 3) C 91 0.69 1.59 0.030 97. BD ( 1) C 83 - C 84 /***. RY*( 1) C 92 0.52 1.60 0.026 97. BD ( 1) C 83 - C 84 /***. BD*( 1)As 2 - C 83 0.64 0.72 0.019 97. BD ( 1) C 83 - C 84 /***. BD*( 1) C 83 - C 91 2.71 1.12 0.049 97. BD ( 1) C 83 - C 84 /***. BD*( 1) C 84 - C 85 3.85 1.13 0.059 97. BD ( 1) C 83 - C 84 /***. BD*( 1) C 84 - C 92 2.94 0.99 0.048 97. BD ( 1) C 83 - C 84 /***. BD*( 1) C 85 - H 86 1.98 1.02 0.040 97. BD ( 1) C 83 - C 84 /***. BD*( 1) C 91 - C 102 3.72 0.99 0.054 98. BD ( 2) C 83 - C 84 /228. LP*( 2)Ge 3 7.25 0.19 0.034 98. BD ( 2) C 83 - C 84 /***. RY*( 3) C 85 1.23 0.81 0.031 98. BD ( 2) C 83 - C 84 /***. RY*( 3) C 91 0.69 1.20 0.028 98. BD ( 2) C 83 - C 84 /***. BD*( 1)As 2 - C 62 0.53 0.36 0.013 98. BD ( 2) C 83 - C 84 /***. BD*( 2) C 85 - C 87 12.28 0.24 0.048 98. BD ( 2) C 83 - C 84 /***. BD*( 2) C 89 - C 91 15.82 0.24 0.056 98. BD ( 2) C 83 - C 84 /***. BD*( 1) C 92 - C 94 2.27 0.56 0.035 98. BD ( 2) C 83 - C 84 /***. BD*( 1) C 92 - C 98 1.92 0.55 0.032 99. BD ( 1) C 83 - C 91 /228. LP*( 2)Ge 3 3.72 0.58 0.044 99. BD ( 1) C 83 - C 91 /261. RY*( 2)As 2 0.63 1.98 0.032 99. BD ( 1) C 83 - C 91 /***. RY*( 1) C 84 1.96 1.92 0.055 99. BD ( 1) C 83 - C 91 /***. RY*( 2) C 84 0.91 1.82 0.037 99. BD ( 1) C 83 - C 91 /***. RY*( 1) C 89 0.55 2.04 0.030 99. BD ( 1) C 83 - C 91 /***. RY*( 17) C 91 0.64 21.61 0.106 99. BD ( 1) C 83 - C 91 /***. RY*( 1) C 102 0.51 1.56 0.025 99. BD ( 1) C 83 - C 91 /***. BD*( 1)As 2 -Ge 3 0.75 0.69 0.020 99. BD ( 1) C 83 - C 91 /***. BD*( 1)As 2 - C 83 0.56 0.72 0.018 99. BD ( 1) C 83 - C 91 /***. BD*( 1) C 83 - C 84 2.67 1.12 0.049 99. BD ( 1) C 83 - C 91 /***. BD*( 1) C 84 - C 92 4.15 0.99 0.057 99. BD ( 1) C 83 - C 91 /***. BD*( 1) C 89 - H 90 2.12 1.02 0.042 99. BD ( 1) C 83 - C 91 /***. BD*( 1) C 89 - C 91 4.10 1.14 0.061 99. BD ( 1) C 83 - C 91 /***. BD*( 1) C 91 - C 102 2.83 0.99 0.047 99. BD ( 1) C 83 - C 91 /***. BD*( 1) C 102 - C 104 0.78 0.95 0.024 100. BD ( 1) C 84 - C 85 /228. LP*( 2)Ge 3 1.20 0.58 0.025 100. BD ( 1) C 84 - C 85 /***. RY*( 1) C 83 1.00 2.02 0.040 100. BD ( 1) C 84 - C 85 /***. RY*( 14) C 85 0.65 17.22 0.095 100. BD ( 1) C 84 - C 85 /***. RY*( 1) C 87 0.81 2.09 0.037 100. BD ( 1) C 84 - C 85 /***. RY*( 2) C 87 1.53 2.12 0.051 100. BD ( 1) C 84 - C 85 /***. RY*( 1) C 92 1.98 1.59 0.050 100. BD ( 1) C 84 - C 85 /***. BD*( 1)As 2 - C 83 4.62 0.71 0.051 100. BD ( 1) C 84 - C 85 /***. BD*( 1) C 83 - C 84 4.13 1.11 0.060 100. BD ( 1) C 84 - C 85 /***. BD*( 1) C 84 - C 92 1.77 0.98 0.037 100. BD ( 1) C 84 - C 85 /***. BD*( 1) C 85 - H 86 1.14 1.01 0.030 100. BD ( 1) C 84 - C 85 /***. BD*( 1) C 85 - C 87 3.26 1.14 0.055 100. BD ( 1) C 84 - C 85 /***. BD*( 1) C 87 - H 88 2.16 1.00 0.042 100. BD ( 1) C 84 - C 85 /***. BD*( 1) C 92 - H 93 1.03 1.04 0.029 101. BD ( 1) C 84 - C 92 /228. LP*( 2)Ge 3 2.49 0.51 0.033 101. BD ( 1) C 84 - C 92 /***. RY*( 1) C 83 1.62 1.94 0.051 101. BD ( 1) C 84 - C 92 /***. RY*( 1) C 85 1.46 1.96 0.048 101. BD ( 1) C 84 - C 92 /***. RY*( 2) C 94 0.61 1.35 0.026 101. BD ( 1) C 84 - C 92 /***. RY*( 2) C 98 0.56 1.34 0.025 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 83 - C 84 2.98 1.04 0.050 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 83 - C 91 2.54 1.04 0.046 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 84 - C 85 1.82 1.05 0.039 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 85 - C 87 2.87 1.07 0.050 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 92 - H 93 0.72 0.97 0.024 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 92 - C 94 0.91 0.87 0.025 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 92 - C 98 0.84 0.87 0.024 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 94 - H 96 1.07 0.91 0.028 101. BD ( 1) C 84 - C 92 /***. BD*( 1) C 98 - H 100 1.03 0.91 0.027 102. BD ( 1) C 85 - H 86 /***. RY*( 1) C 84 1.65 1.76 0.048 102. BD ( 1) C 85 - H 86 /***. RY*( 1) C 87 1.41 1.92 0.047 102. BD ( 1) C 85 - H 86 /***. BD*( 1) C 83 - C 84 4.89 0.95 0.061 102. BD ( 1) C 85 - H 86 /***. BD*( 1) C 84 - C 85 0.86 0.96 0.026 102. BD ( 1) C 85 - H 86 /***. BD*( 1) C 87 - H 88 0.59 0.84 0.020 102. BD ( 1) C 85 - H 86 /***. BD*( 1) C 87 - C 89 3.61 0.97 0.053 103. BD ( 1) C 85 - C 87 /***. RY*( 1) C 84 0.61 1.94 0.031 103. BD ( 1) C 85 - C 87 /***. RY*( 2) C 84 1.71 1.83 0.050 103. BD ( 1) C 85 - C 87 /***. RY*( 1) C 89 0.75 2.05 0.035 103. BD ( 1) C 85 - C 87 /***. RY*( 2) C 89 1.34 1.93 0.046 103. BD ( 1) C 85 - C 87 /***. BD*( 1) C 84 - C 85 3.71 1.14 0.058 103. BD ( 1) C 85 - C 87 /***. BD*( 1) C 84 - C 92 3.01 1.00 0.049 103. BD ( 1) C 85 - C 87 /***. BD*( 1) C 85 - H 86 1.06 1.03 0.030 103. BD ( 1) C 85 - C 87 /***. BD*( 1) C 87 - H 88 1.01 1.02 0.029 103. BD ( 1) C 85 - C 87 /***. BD*( 1) C 87 - C 89 2.80 1.15 0.051 103. BD ( 1) C 85 - C 87 /***. BD*( 1) C 89 - H 90 2.54 1.03 0.046 104. BD ( 2) C 85 - C 87 /***. RY*( 3) C 89 0.83 0.88 0.026 104. BD ( 2) C 85 - C 87 /***. BD*( 2) C 83 - C 84 17.20 0.23 0.057 104. BD ( 2) C 85 - C 87 /***. BD*( 2) C 89 - C 91 13.65 0.24 0.051 105. BD ( 1) C 87 - H 88 /***. RY*( 1) C 85 1.40 1.87 0.046 105. BD ( 1) C 87 - H 88 /***. RY*( 1) C 89 1.41 1.88 0.046 105. BD ( 1) C 87 - H 88 /***. BD*( 1) C 84 - C 85 4.16 0.97 0.057 105. BD ( 1) C 87 - H 88 /***. BD*( 1) C 85 - H 86 0.59 0.85 0.020 105. BD ( 1) C 87 - H 88 /***. BD*( 1) C 89 - H 90 0.59 0.85 0.020 105. BD ( 1) C 87 - H 88 /***. BD*( 1) C 89 - C 91 4.02 0.98 0.056 106. BD ( 1) C 87 - C 89 /***. RY*( 1) C 85 0.73 2.04 0.035 106. BD ( 1) C 87 - C 89 /***. RY*( 2) C 85 1.38 2.02 0.047 106. BD ( 1) C 87 - C 89 /***. RY*( 1) C 91 0.66 1.93 0.032 106. BD ( 1) C 87 - C 89 /***. RY*( 2) C 91 1.29 1.64 0.041 106. BD ( 1) C 87 - C 89 /***. RY*( 3) C 91 0.82 1.60 0.032 106. BD ( 1) C 87 - C 89 /***. BD*( 1) C 85 - H 86 2.62 1.02 0.046 106. BD ( 1) C 87 - C 89 /***. BD*( 1) C 85 - C 87 2.81 1.15 0.051 106. BD ( 1) C 87 - C 89 /***. BD*( 1) C 87 - H 88 0.95 1.02 0.028 106. BD ( 1) C 87 - C 89 /***. BD*( 1) C 89 - H 90 1.00 1.02 0.029 106. BD ( 1) C 87 - C 89 /***. BD*( 1) C 89 - C 91 3.71 1.14 0.058 106. BD ( 1) C 87 - C 89 /***. BD*( 1) C 91 - C 102 3.30 1.00 0.051 107. BD ( 1) C 89 - H 90 /***. RY*( 1) C 87 1.41 1.93 0.047 107. BD ( 1) C 89 - H 90 /***. RY*( 1) C 91 1.72 1.76 0.049 107. BD ( 1) C 89 - H 90 /***. BD*( 1) C 83 - C 91 4.94 0.95 0.061 107. BD ( 1) C 89 - H 90 /***. BD*( 1) C 85 - C 87 3.53 0.98 0.053 107. BD ( 1) C 89 - H 90 /***. BD*( 1) C 87 - H 88 0.58 0.84 0.020 107. BD ( 1) C 89 - H 90 /***. BD*( 1) C 89 - C 91 0.93 0.97 0.027 108. BD ( 1) C 89 - C 91 /***. RY*( 1) C 83 0.64 2.02 0.032 108. BD ( 1) C 89 - C 91 /***. RY*( 3) C 83 0.70 1.76 0.031 108. BD ( 1) C 89 - C 91 /***. RY*( 1) C 87 0.79 2.09 0.037 108. BD ( 1) C 89 - C 91 /***. RY*( 2) C 87 1.46 2.13 0.050 108. BD ( 1) C 89 - C 91 /***. RY*( 18) C 89 0.58 18.08 0.092 108. BD ( 1) C 89 - C 91 /***. RY*( 1) C 102 1.54 1.56 0.044 108. BD ( 1) C 89 - C 91 /***. BD*( 1)As 2 - C 83 4.11 0.72 0.049 108. BD ( 1) C 89 - C 91 /***. BD*( 1) C 83 - C 91 4.37 1.12 0.062 108. BD ( 1) C 89 - C 91 /***. BD*( 1) C 87 - H 88 2.13 1.01 0.042 108. BD ( 1) C 89 - C 91 /***. BD*( 1) C 87 - C 89 3.21 1.14 0.054 108. BD ( 1) C 89 - C 91 /***. BD*( 1) C 89 - H 90 1.25 1.02 0.032 108. BD ( 1) C 89 - C 91 /***. BD*( 1) C 91 - C 102 1.97 0.99 0.039 108. BD ( 1) C 89 - C 91 /***. BD*( 1) C 102 - H 103 0.89 1.03 0.027 109. BD ( 2) C 89 - C 91 /***. RY*( 2) C 83 0.60 1.12 0.025 109. BD ( 2) C 89 - C 91 /***. RY*( 3) C 87 1.11 0.76 0.029 109. BD ( 2) C 89 - C 91 /***. BD*( 2) C 83 - C 84 11.80 0.22 0.046 109. BD ( 2) C 89 - C 91 /***. BD*( 2) C 85 - C 87 16.29 0.23 0.055 109. BD ( 2) C 89 - C 91 /***. BD*( 1) C 102 - C 104 1.05 0.55 0.023 109. BD ( 2) C 89 - C 91 /***. BD*( 1) C 102 - C 108 2.28 0.55 0.035 110. BD ( 1) C 91 - C 102 /228. LP*( 2)Ge 3 0.72 0.51 0.018 110. BD ( 1) C 91 - C 102 /***. RY*( 1) C 83 1.48 1.95 0.048 110. BD ( 1) C 91 - C 102 /***. RY*( 1) C 89 1.51 1.97 0.049 110. BD ( 1) C 91 - C 102 /***. RY*( 1) C 104 0.50 1.28 0.023 110. BD ( 1) C 91 - C 102 /***. RY*( 2) C 108 0.75 1.35 0.029 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 83 - C 84 2.90 1.04 0.049 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 83 - C 91 3.00 1.04 0.050 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 87 - C 89 2.79 1.06 0.049 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 89 - C 91 1.94 1.06 0.041 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 102 - H 103 0.68 0.95 0.023 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 102 - C 104 0.90 0.87 0.025 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 102 - C 108 0.91 0.87 0.025 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 104 - H 106 0.97 0.91 0.027 110. BD ( 1) C 91 - C 102 /***. BD*( 1) C 108 - H 110 1.26 0.91 0.030 111. BD ( 1) C 92 - H 93 /228. LP*( 2)Ge 3 1.62 0.39 0.023 111. BD ( 1) C 92 - H 93 /***. RY*( 2) C 84 0.51 1.62 0.026 111. BD ( 1) C 92 - H 93 /***. BD*( 1)As 1 -Ge 3 1.92 0.48 0.027 111. BD ( 1) C 92 - H 93 /***. BD*( 1) C 84 - C 85 3.84 0.93 0.054 111. BD ( 1) C 92 - H 93 /***. BD*( 1) C 84 - C 92 0.51 0.79 0.018 111. BD ( 1) C 92 - H 93 /***. BD*( 1) C 94 - H 95 2.30 0.78 0.038 111. BD ( 1) C 92 - H 93 /***. BD*( 1) C 98 - H 101 2.26 0.79 0.038 112. BD ( 1) C 92 - C 94 /***. RY*( 2) C 84 0.60 1.73 0.029 112. BD ( 1) C 92 - C 94 /***. RY*( 1) H 93 0.89 1.46 0.032 112. BD ( 1) C 92 - C 94 /***. RY*( 1) C 98 0.95 1.25 0.031 112. BD ( 1) C 92 - C 94 /***. BD*( 1) C 83 - C 84 1.70 1.02 0.037 112. BD ( 1) C 92 - C 94 /***. BD*( 2) C 83 - C 84 2.02 0.53 0.032 112. BD ( 1) C 92 - C 94 /***. BD*( 1) C 84 - C 92 1.24 0.89 0.030 112. BD ( 1) C 92 - C 94 /***. BD*( 1) C 92 - H 93 0.98 0.95 0.027 112. BD ( 1) C 92 - C 94 /***. BD*( 1) C 92 - C 98 0.73 0.85 0.022 112. BD ( 1) C 92 - C 94 /***. BD*( 1) C 98 - H 99 1.57 0.92 0.034 113. BD ( 1) C 92 - C 98 /228. LP*( 2)Ge 3 0.75 0.49 0.018 113. BD ( 1) C 92 - C 98 /***. RY*( 3) C 84 0.93 1.35 0.032 113. BD ( 1) C 92 - C 98 /***. RY*( 1) C 94 1.03 1.27 0.033 113. BD ( 1) C 92 - C 98 /***. BD*( 1) C 83 - C 84 2.13 1.02 0.042 113. BD ( 1) C 92 - C 98 /***. BD*( 2) C 83 - C 84 2.18 0.53 0.034 113. BD ( 1) C 92 - C 98 /***. BD*( 1) C 84 - C 92 1.25 0.89 0.030 113. BD ( 1) C 92 - C 98 /***. BD*( 1) C 92 - H 93 0.74 0.95 0.024 113. BD ( 1) C 92 - C 98 /***. BD*( 1) C 92 - C 94 0.69 0.86 0.022 113. BD ( 1) C 92 - C 98 /***. BD*( 1) C 94 - H 97 1.63 0.93 0.035 114. BD ( 1) C 94 - H 95 /***. RY*( 2) C 92 0.80 1.38 0.030 114. BD ( 1) C 94 - H 95 /***. BD*( 1) C 92 - H 93 2.48 0.86 0.041 115. BD ( 1) C 94 - H 96 /***. BD*( 1) C 84 - C 92 3.55 0.79 0.048 116. BD ( 1) C 94 - H 97 /***. RY*( 1) C 92 0.71 1.41 0.028 116. BD ( 1) C 94 - H 97 /***. BD*( 1) C 92 - C 98 2.94 0.76 0.042 117. BD ( 1) C 98 - H 99 /228. LP*( 2)Ge 3 1.52 0.40 0.023 117. BD ( 1) C 98 - H 99 /***. RY*( 1) C 92 0.75 1.41 0.029 117. BD ( 1) C 98 - H 99 /***. BD*( 1)As 1 -Ge 3 1.27 0.49 0.022 117. BD ( 1) C 98 - H 99 /***. BD*( 1)As 2 -Ge 3 0.64 0.50 0.016 117. BD ( 1) C 98 - H 99 /***. BD*( 1) C 92 - C 94 2.68 0.76 0.040 118. BD ( 1) C 98 - H 100 /***. RY*( 2) C 92 0.61 1.38 0.026 118. BD ( 1) C 98 - H 100 /***. BD*( 1) C 84 - C 92 3.46 0.80 0.047 119. BD ( 1) C 98 - H 101 /***. RY*( 2) C 92 0.50 1.39 0.024 119. BD ( 1) C 98 - H 101 /***. BD*( 1) C 92 - H 93 2.37 0.86 0.040 120. BD ( 1) C 102 - H 103 /***. RY*( 2) C 91 0.53 1.43 0.025 120. BD ( 1) C 102 - H 103 /***. BD*( 1)As 2 - C 62 1.66 0.55 0.027 120. BD ( 1) C 102 - H 103 /***. BD*( 1)As 2 - C 83 0.66 0.51 0.016 120. BD ( 1) C 102 - H 103 /***. BD*( 1) C 89 - C 91 3.84 0.94 0.054 120. BD ( 1) C 102 - H 103 /***. BD*( 1) C 104 - H 105 2.62 0.78 0.041 120. BD ( 1) C 102 - H 103 /***. BD*( 1) C 108 - H 111 2.34 0.78 0.038 121. BD ( 1) C 102 - C 104 /***. RY*( 3) C 91 1.18 1.50 0.038 121. BD ( 1) C 102 - C 104 /***. RY*( 1) C 108 1.03 1.24 0.032 121. BD ( 1) C 102 - C 104 /***. BD*( 1) C 83 - C 91 2.44 1.03 0.045 121. BD ( 1) C 102 - C 104 /***. BD*( 2) C 89 - C 91 0.94 0.55 0.022 121. BD ( 1) C 102 - C 104 /***. BD*( 1) C 91 - C 102 1.27 0.90 0.030 121. BD ( 1) C 102 - C 104 /***. BD*( 1) C 102 - H 103 0.73 0.94 0.023 121. BD ( 1) C 102 - C 104 /***. BD*( 1) C 102 - C 108 0.73 0.86 0.022 121. BD ( 1) C 102 - C 104 /***. BD*( 1) C 108 - H 109 1.48 0.91 0.033 122. BD ( 1) C 102 - C 108 /***. RY*( 2) C 91 0.97 1.54 0.035 122. BD ( 1) C 102 - C 108 /***. RY*( 1) C 104 0.90 1.26 0.030 122. BD ( 1) C 102 - C 108 /***. BD*( 1) C 83 - C 91 1.07 1.03 0.030 122. BD ( 1) C 102 - C 108 /***. BD*( 2) C 89 - C 91 2.65 0.54 0.037 122. BD ( 1) C 102 - C 108 /***. BD*( 1) C 91 - C 102 1.21 0.90 0.030 122. BD ( 1) C 102 - C 108 /***. BD*( 1) C 102 - H 103 0.75 0.94 0.024 122. BD ( 1) C 102 - C 108 /***. BD*( 1) C 102 - C 104 0.69 0.86 0.022 122. BD ( 1) C 102 - C 108 /***. BD*( 1) C 104 - H 107 1.59 0.92 0.034 123. BD ( 1) C 104 - H 105 /***. RY*( 2) C 102 0.69 1.50 0.029 123. BD ( 1) C 104 - H 105 /***. BD*( 1) C 102 - H 103 2.25 0.84 0.039 124. BD ( 1) C 104 - H 106 /***. RY*( 2) C 102 0.54 1.50 0.026 124. BD ( 1) C 104 - H 106 /***. BD*( 1) C 91 - C 102 3.62 0.80 0.048 125. BD ( 1) C 104 - H 107 /***. RY*( 1) C 102 0.62 1.38 0.026 125. BD ( 1) C 104 - H 107 /***. BD*( 1)As 1 - C 33 0.61 0.53 0.016 125. BD ( 1) C 104 - H 107 /***. BD*( 1) C 102 - C 108 3.07 0.76 0.043 126. BD ( 1) C 108 - H 109 /***. RY*( 1) C 102 0.90 1.38 0.031 126. BD ( 1) C 108 - H 109 /***. BD*( 1) C 102 - C 104 3.14 0.77 0.044 127. BD ( 1) C 108 - H 110 /***. BD*( 1) C 91 - C 102 3.05 0.80 0.044 128. BD ( 1) C 108 - H 111 /***. RY*( 2) C 102 0.72 1.50 0.029 128. BD ( 1) C 108 - H 111 /***. BD*( 1) C 102 - H 103 2.45 0.84 0.041 129. BD ( 1) C 112 - H 113 /***. RY*( 2) C 81 0.54 1.49 0.025 129. BD ( 1) C 112 - H 113 /***. BD*( 1) C 70 - C 81 3.50 0.80 0.047 130. BD ( 1) C 112 - H 114 /***. RY*( 1) C 81 0.75 1.38 0.029 130. BD ( 1) C 112 - H 114 /***. BD*( 1) C 81 - C 116 3.17 0.76 0.044 131. BD ( 1) C 112 - H 115 /***. RY*( 2) C 81 0.69 1.49 0.029 131. BD ( 1) C 112 - H 115 /***. BD*( 1) C 81 - H 82 2.38 0.84 0.040 132. BD ( 1) C 116 - H 117 /***. RY*( 1) C 81 0.92 1.38 0.032 132. BD ( 1) C 116 - H 117 /***. BD*( 1) C 81 - C 112 3.17 0.76 0.044 133. BD ( 1) C 116 - H 118 /***. BD*( 1) C 70 - C 81 3.15 0.80 0.045 134. BD ( 1) C 116 - H 119 /***. RY*( 2) C 81 0.77 1.49 0.030 134. BD ( 1) C 116 - H 119 /***. BD*( 1) C 81 - H 82 2.33 0.84 0.040 136. CR ( 2)As 1 /228. LP*( 2)Ge 3 1.15 53.77 0.235 136. CR ( 2)As 1 /291. RY*( 1)Ge 3 1.54 54.30 0.260 136. CR ( 2)As 1 /292. RY*( 2)Ge 3 0.92 54.81 0.201 136. CR ( 2)As 1 /***. BD*( 1)As 1 -Ge 3 0.63 53.86 0.166 137. CR ( 3)As 1 /228. LP*( 2)Ge 3 4.27 9.29 0.188 137. CR ( 3)As 1 /291. RY*( 1)Ge 3 5.90 9.83 0.217 137. CR ( 3)As 1 /292. RY*( 2)Ge 3 3.51 10.34 0.171 137. CR ( 3)As 1 /322. RY*( 1) C 4 0.60 10.70 0.072 137. CR ( 3)As 1 /623. RY*( 1) C 33 0.52 10.76 0.067 137. CR ( 3)As 1 /***. BD*( 1)As 1 -Ge 3 2.24 9.39 0.131 137. CR ( 3)As 1 /***. BD*( 1)As 1 - C 4 1.25 9.46 0.099 137. CR ( 3)As 1 /***. BD*( 1)As 1 - C 33 0.61 9.42 0.068 137. CR ( 3)As 1 /***. BD*( 1) C 4 - C 5 1.05 9.85 0.091 137. CR ( 3)As 1 /***. BD*( 1) C 4 - C 12 0.77 9.84 0.078 137. CR ( 3)As 1 /***. BD*( 1) C 33 - C 34 1.39 9.82 0.105 137. CR ( 3)As 1 /***. BD*( 1) C 33 - C 41 0.55 9.82 0.066 150. CR ( 2)As 2 /228. LP*( 2)Ge 3 0.96 53.82 0.214 150. CR ( 2)As 2 /291. RY*( 1)Ge 3 1.54 54.36 0.260 150. CR ( 2)As 2 /292. RY*( 2)Ge 3 0.95 54.86 0.204 150. CR ( 2)As 2 /***. BD*( 1)As 2 -Ge 3 0.61 53.92 0.164 151. CR ( 3)As 2 /228. LP*( 2)Ge 3 3.54 9.28 0.171 151. CR ( 3)As 2 /291. RY*( 1)Ge 3 5.90 9.82 0.216 151. CR ( 3)As 2 /292. RY*( 2)Ge 3 3.62 10.33 0.173 151. CR ( 3)As 2 /924. RY*( 1) C 62 0.63 10.72 0.073 151. CR ( 3)As 2 /***. RY*( 1) C 83 0.51 10.72 0.066 151. CR ( 3)As 2 /***. BD*( 1)As 2 -Ge 3 2.18 9.39 0.129 151. CR ( 3)As 2 /***. BD*( 1)As 2 - C 62 1.23 9.45 0.098 151. CR ( 3)As 2 /***. BD*( 1)As 2 - C 83 0.67 9.42 0.072 151. CR ( 3)As 2 /***. BD*( 1) C 62 - C 63 1.17 9.84 0.096 151. CR ( 3)As 2 /***. BD*( 1) C 62 - C 70 0.71 9.84 0.075 151. CR ( 3)As 2 /***. BD*( 1) C 83 - C 84 1.34 9.82 0.103 151. CR ( 3)As 2 /***. BD*( 1) C 83 - C 91 0.55 9.82 0.066 177. CR ( 1) C 4 /341. RY*( 2) C 5 1.59 11.04 0.118 177. CR ( 1) C 4 /428. RY*( 2) C 12 1.18 10.87 0.101 177. CR ( 1) C 4 /429. RY*( 3) C 12 0.67 10.74 0.076 177. CR ( 1) C 4 /***. BD*( 1) C 5 - C 6 0.93 10.29 0.088 177. CR ( 1) C 4 /***. BD*( 1) C 5 - C 13 1.22 10.14 0.100 177. CR ( 1) C 4 /***. BD*( 1) C 10 - C 12 0.93 10.29 0.088 177. CR ( 1) C 4 /***. BD*( 1) C 12 - C 23 1.13 10.14 0.097 178. CR ( 1) C 5 /323. RY*( 2) C 4 1.42 11.13 0.112 178. CR ( 1) C 5 /359. RY*( 2) C 6 1.26 11.14 0.106 178. CR ( 1) C 5 /447. RY*( 3) C 13 0.67 10.87 0.076 178. CR ( 1) C 5 /***. BD*( 1)As 1 - C 4 1.42 9.89 0.107 178. CR ( 1) C 5 /***. BD*( 1) C 4 - C 5 0.51 10.28 0.065 178. CR ( 1) C 5 /***. BD*( 1) C 4 - C 12 1.03 10.28 0.093 178. CR ( 1) C 5 /***. BD*( 1) C 6 - C 8 0.91 10.30 0.087 179. CR ( 1) C 6 /340. RY*( 1) C 5 0.91 11.13 0.090 179. CR ( 1) C 6 /341. RY*( 2) C 5 1.27 11.02 0.106 179. CR ( 1) C 6 /382. RY*( 2) C 8 1.38 11.29 0.112 179. CR ( 1) C 6 /***. BD*( 1) C 4 - C 5 1.20 10.27 0.100 179. CR ( 1) C 6 /***. BD*( 1) C 5 - C 13 0.90 10.12 0.086 179. CR ( 1) C 6 /***. BD*( 1) C 8 - C 10 0.88 10.28 0.085 180. CR ( 1) C 8 /359. RY*( 2) C 6 0.76 11.14 0.082 180. CR ( 1) C 8 /361. RY*( 4) C 6 0.72 11.44 0.081 180. CR ( 1) C 8 /401. RY*( 3) H 9 0.50 11.98 0.069 180. CR ( 1) C 8 /405. RY*( 2) C 10 0.62 10.97 0.074 180. CR ( 1) C 8 /***. BD*( 1) C 5 - C 6 1.07 10.27 0.094 180. CR ( 1) C 8 /***. BD*( 1) C 10 - C 12 1.07 10.28 0.094 181. CR ( 1) C 10 /382. RY*( 2) C 8 1.29 11.29 0.108 181. CR ( 1) C 10 /427. RY*( 1) C 12 0.97 11.14 0.093 181. CR ( 1) C 10 /428. RY*( 2) C 12 1.28 10.85 0.105 181. CR ( 1) C 10 /***. BD*( 1) C 4 - C 12 1.20 10.26 0.100 181. CR ( 1) C 10 /***. BD*( 1) C 6 - C 8 0.87 10.28 0.085 181. CR ( 1) C 10 /***. BD*( 1) C 12 - C 23 0.97 10.12 0.089 182. CR ( 1) C 12 /323. RY*( 2) C 4 0.84 11.13 0.086 182. CR ( 1) C 12 /324. RY*( 3) C 4 0.53 10.75 0.067 182. CR ( 1) C 12 /405. RY*( 2) C 10 1.14 10.98 0.100 182. CR ( 1) C 12 /536. RY*( 3) C 23 0.70 10.79 0.077 182. CR ( 1) C 12 /***. BD*( 1)As 1 - C 4 1.41 9.89 0.107 182. CR ( 1) C 12 /***. BD*( 1) C 4 - C 5 1.02 10.28 0.092 182. CR ( 1) C 12 /***. BD*( 1) C 8 - C 10 0.92 10.29 0.087 183. CR ( 1) C 13 /340. RY*( 1) C 5 0.86 11.15 0.088 183. CR ( 1) C 13 /***. BD*( 1) C 4 - C 5 0.84 10.29 0.084 183. CR ( 1) C 13 /***. BD*( 1) C 5 - C 6 0.59 10.29 0.070 184. CR ( 1) C 15 /446. RY*( 2) C 13 0.54 10.84 0.068 185. CR ( 1) C 19 /446. RY*( 2) C 13 0.97 10.84 0.091 185. CR ( 1) C 19 /519. RY*( 1) H 20 0.64 11.00 0.075 186. CR ( 1) C 23 /427. RY*( 1) C 12 0.93 11.16 0.091 186. CR ( 1) C 23 /***. BD*( 1) C 4 - C 12 0.78 10.28 0.081 186. CR ( 1) C 23 /***. BD*( 1) C 10 - C 12 0.65 10.29 0.074 187. CR ( 1) C 25 /535. RY*( 2) C 23 0.56 10.79 0.069 188. CR ( 1) C 29 /535. RY*( 2) C 23 0.72 10.79 0.079 189. CR ( 1) C 33 /228. LP*( 2)Ge 3 3.48 9.75 0.174 189. CR ( 1) C 33 /642. RY*( 2) C 34 1.42 10.89 0.111 189. CR ( 1) C 33 /729. RY*( 2) C 41 0.61 10.71 0.072 189. CR ( 1) C 33 /730. RY*( 3) C 41 1.14 10.86 0.099 189. CR ( 1) C 33 /731. RY*( 4) C 41 0.56 10.99 0.070 189. CR ( 1) C 33 /***. BD*( 1) C 34 - C 35 0.90 10.29 0.086 189. CR ( 1) C 33 /***. BD*( 1) C 34 - C 42 1.23 10.16 0.101 189. CR ( 1) C 33 /***. BD*( 1) C 39 - C 41 0.94 10.30 0.088 189. CR ( 1) C 33 /***. BD*( 1) C 41 - C 52 1.11 10.16 0.095 190. CR ( 1) C 34 /228. LP*( 2)Ge 3 1.81 9.74 0.125 190. CR ( 1) C 34 /624. RY*( 2) C 33 0.76 10.70 0.081 190. CR ( 1) C 34 /625. RY*( 3) C 33 1.13 10.96 0.099 190. CR ( 1) C 34 /660. RY*( 2) C 35 1.20 11.16 0.103 190. CR ( 1) C 34 /748. RY*( 3) C 42 0.68 10.79 0.076 190. CR ( 1) C 34 /***. BD*( 1)As 1 - C 33 1.32 9.87 0.103 190. CR ( 1) C 34 /***. BD*( 1) C 33 - C 41 0.96 10.27 0.089 190. CR ( 1) C 34 /***. BD*( 1) C 35 - C 37 0.92 10.30 0.087 191. CR ( 1) C 35 /641. RY*( 1) C 34 1.18 11.03 0.102 191. CR ( 1) C 35 /642. RY*( 2) C 34 0.73 10.86 0.080 191. CR ( 1) C 35 /643. RY*( 3) C 34 0.57 10.66 0.070 191. CR ( 1) C 35 /683. RY*( 2) C 37 1.31 11.28 0.109 191. CR ( 1) C 35 /***. BD*( 1) C 33 - C 34 1.25 10.25 0.102 191. CR ( 1) C 35 /***. BD*( 1) C 34 - C 42 0.86 10.12 0.084 191. CR ( 1) C 35 /***. BD*( 1) C 37 - C 39 0.89 10.27 0.086 192. CR ( 1) C 37 /660. RY*( 2) C 35 0.81 11.15 0.085 192. CR ( 1) C 37 /662. RY*( 4) C 35 0.86 11.25 0.088 192. CR ( 1) C 37 /701. RY*( 2) H 38 0.52 12.02 0.070 192. CR ( 1) C 37 /706. RY*( 2) C 39 0.72 11.04 0.080 192. CR ( 1) C 37 /708. RY*( 4) C 39 0.81 11.35 0.085 192. CR ( 1) C 37 /***. BD*( 1) C 34 - C 35 1.10 10.27 0.095 192. CR ( 1) C 37 /***. BD*( 1) C 39 - C 41 1.06 10.28 0.094 193. CR ( 1) C 39 /683. RY*( 2) C 37 1.33 11.28 0.109 193. CR ( 1) C 39 /728. RY*( 1) C 41 1.15 11.04 0.101 193. CR ( 1) C 39 /730. RY*( 3) C 41 1.02 10.83 0.094 193. CR ( 1) C 39 /***. BD*( 1) C 33 - C 41 1.27 10.25 0.103 193. CR ( 1) C 39 /***. BD*( 1) C 35 - C 37 0.87 10.28 0.085 193. CR ( 1) C 39 /***. BD*( 1) C 41 - C 52 0.95 10.13 0.088 194. CR ( 1) C 41 /228. LP*( 2)Ge 3 0.70 9.74 0.078 194. CR ( 1) C 41 /623. RY*( 1) C 33 0.53 11.20 0.069 194. CR ( 1) C 41 /624. RY*( 2) C 33 0.70 10.70 0.077 194. CR ( 1) C 41 /626. RY*( 4) C 33 0.53 11.03 0.068 194. CR ( 1) C 41 /706. RY*( 2) C 39 1.23 11.05 0.104 194. CR ( 1) C 41 /837. RY*( 3) C 52 0.72 10.76 0.079 194. CR ( 1) C 41 /***. BD*( 1)As 1 - C 33 1.25 9.86 0.100 194. CR ( 1) C 41 /***. BD*( 1) C 33 - C 34 0.99 10.26 0.091 194. CR ( 1) C 41 /***. BD*( 1) C 33 - C 41 0.54 10.26 0.067 194. CR ( 1) C 41 /***. BD*( 1) C 37 - C 39 0.94 10.29 0.088 195. CR ( 1) C 42 /228. LP*( 2)Ge 3 0.59 9.73 0.071 195. CR ( 1) C 42 /641. RY*( 1) C 34 0.94 11.04 0.091 195. CR ( 1) C 42 /771. RY*( 3) C 44 0.51 10.73 0.066 195. CR ( 1) C 42 /***. BD*( 1) C 33 - C 34 0.93 10.26 0.088 195. CR ( 1) C 42 /***. BD*( 1) C 34 - C 35 0.61 10.27 0.071 196. CR ( 1) C 44 /747. RY*( 2) C 42 1.06 10.69 0.095 197. CR ( 1) C 48 /747. RY*( 2) C 42 0.59 10.70 0.071 197. CR ( 1) C 48 /820. RY*( 1) H 49 0.58 10.96 0.071 198. CR ( 1) C 52 /728. RY*( 1) C 41 0.93 11.05 0.090 198. CR ( 1) C 52 /860. RY*( 3) C 54 0.57 10.70 0.070 198. CR ( 1) C 52 /***. BD*( 1) C 33 - C 41 0.85 10.26 0.084 198. CR ( 1) C 52 /***. BD*( 1) C 39 - C 41 0.66 10.29 0.074 199. CR ( 1) C 54 /836. RY*( 2) C 52 0.70 10.84 0.078 200. CR ( 1) C 58 /836. RY*( 2) C 52 0.89 10.84 0.088 200. CR ( 1) C 58 /909. RY*( 1) H 59 0.68 10.80 0.076 201. CR ( 1) C 62 /943. RY*( 2) C 63 1.48 11.04 0.114 201. CR ( 1) C 62 /945. RY*( 4) C 63 0.50 10.90 0.066 201. CR ( 1) C 62 /***. RY*( 2) C 70 1.26 10.93 0.105 201. CR ( 1) C 62 /***. RY*( 4) C 70 0.56 10.96 0.070 201. CR ( 1) C 62 /***. BD*( 1) C 63 - C 64 0.93 10.29 0.088 201. CR ( 1) C 62 /***. BD*( 1) C 63 - C 71 1.20 10.14 0.100 201. CR ( 1) C 62 /***. BD*( 1) C 68 - C 70 0.95 10.29 0.089 201. CR ( 1) C 62 /***. BD*( 1) C 70 - C 81 1.20 10.14 0.099 202. CR ( 1) C 63 /925. RY*( 2) C 62 1.34 11.14 0.109 202. CR ( 1) C 63 /961. RY*( 2) C 64 1.27 11.13 0.106 202. CR ( 1) C 63 /***. RY*( 3) C 71 0.76 10.83 0.081 202. CR ( 1) C 63 /***. BD*( 1)As 2 - C 62 1.40 9.90 0.107 202. CR ( 1) C 63 /***. BD*( 1) C 62 - C 63 0.51 10.28 0.065 202. CR ( 1) C 63 /***. BD*( 1) C 62 - C 70 1.05 10.28 0.093 202. CR ( 1) C 63 /***. BD*( 1) C 64 - C 66 0.91 10.29 0.087 203. CR ( 1) C 64 /942. RY*( 1) C 63 0.81 11.13 0.085 203. CR ( 1) C 64 /943. RY*( 2) C 63 1.39 11.02 0.111 203. CR ( 1) C 64 /984. RY*( 2) C 66 1.32 11.26 0.109 203. CR ( 1) C 64 /***. BD*( 1) C 62 - C 63 1.19 10.27 0.100 203. CR ( 1) C 64 /***. BD*( 1) C 63 - C 71 0.92 10.12 0.087 203. CR ( 1) C 64 /***. BD*( 1) C 66 - C 68 0.88 10.28 0.085 204. CR ( 1) C 66 /961. RY*( 2) C 64 0.75 11.13 0.082 204. CR ( 1) C 66 /963. RY*( 4) C 64 0.69 11.47 0.079 204. CR ( 1) C 66 /***. RY*( 2) C 68 0.76 11.07 0.082 204. CR ( 1) C 66 /***. RY*( 4) C 68 0.56 11.33 0.071 204. CR ( 1) C 66 /***. BD*( 1) C 63 - C 64 1.06 10.28 0.094 204. CR ( 1) C 66 /***. BD*( 1) C 68 - C 70 1.07 10.27 0.094 205. CR ( 1) C 68 /984. RY*( 2) C 66 1.37 11.26 0.111 205. CR ( 1) C 68 /***. RY*( 1) C 70 0.79 11.10 0.084 205. CR ( 1) C 68 /***. RY*( 2) C 70 1.26 10.91 0.105 205. CR ( 1) C 68 /***. BD*( 1) C 62 - C 70 1.19 10.27 0.100 205. CR ( 1) C 68 /***. BD*( 1) C 64 - C 66 0.87 10.28 0.085 205. CR ( 1) C 68 /***. BD*( 1) C 70 - C 81 0.92 10.12 0.087 206. CR ( 1) C 70 /925. RY*( 2) C 62 0.52 11.14 0.068 206. CR ( 1) C 70 /926. RY*( 3) C 62 0.73 10.77 0.079 206. CR ( 1) C 70 /***. RY*( 2) C 68 1.21 11.08 0.103 206. CR ( 1) C 70 /***. RY*( 3) C 81 0.81 10.73 0.083 206. CR ( 1) C 70 /***. BD*( 1)As 2 - C 62 1.41 9.89 0.107 206. CR ( 1) C 70 /***. BD*( 1) C 62 - C 63 1.04 10.28 0.093 206. CR ( 1) C 70 /***. BD*( 1) C 66 - C 68 0.91 10.29 0.087 207. CR ( 1) C 71 /942. RY*( 1) C 63 0.86 11.15 0.087 207. CR ( 1) C 71 /***. BD*( 1) C 62 - C 63 0.83 10.29 0.083 207. CR ( 1) C 71 /***. BD*( 1) C 63 - C 64 0.61 10.29 0.071 208. CR ( 1) C 73 /***. RY*( 2) C 71 0.67 10.80 0.076 209. CR ( 1) C 77 /***. RY*( 2) C 71 0.87 10.80 0.087 210. CR ( 1) C 81 /***. RY*( 1) C 70 0.95 11.12 0.092 210. CR ( 1) C 81 /***. BD*( 1) C 62 - C 70 0.85 10.29 0.084 210. CR ( 1) C 81 /***. BD*( 1) C 68 - C 70 0.61 10.29 0.071 211. CR ( 1) C 83 /228. LP*( 2)Ge 3 2.86 9.75 0.157 211. CR ( 1) C 83 /***. RY*( 2) C 84 1.69 10.99 0.122 211. CR ( 1) C 83 /***. RY*( 2) C 91 0.92 10.80 0.089 211. CR ( 1) C 83 /***. RY*( 3) C 91 0.78 10.76 0.082 211. CR ( 1) C 83 /***. RY*( 4) C 91 0.56 10.99 0.070 211. CR ( 1) C 83 /***. BD*( 1)As 2 -Ge 3 0.50 9.85 0.064 211. CR ( 1) C 83 /***. BD*( 1) C 84 - C 85 0.89 10.29 0.086 211. CR ( 1) C 83 /***. BD*( 1) C 84 - C 92 1.26 10.15 0.102 211. CR ( 1) C 83 /***. BD*( 1) C 89 - C 91 0.95 10.30 0.089 211. CR ( 1) C 83 /***. BD*( 1) C 91 - C 102 1.13 10.15 0.096 212. CR ( 1) C 84 /228. LP*( 2)Ge 3 1.43 9.74 0.111 212. CR ( 1) C 84 /***. RY*( 3) C 83 1.37 10.91 0.109 212. CR ( 1) C 84 /***. RY*( 2) C 85 1.22 11.16 0.104 212. CR ( 1) C 84 /***. RY*( 3) C 92 0.70 10.79 0.078 212. CR ( 1) C 84 /***. BD*( 1)As 2 - C 83 1.35 9.87 0.104 212. CR ( 1) C 84 /***. BD*( 1) C 83 - C 91 0.98 10.27 0.090 212. CR ( 1) C 84 /***. BD*( 1) C 85 - C 87 0.93 10.30 0.088 213. CR ( 1) C 85 /***. RY*( 1) C 84 1.08 11.06 0.098 213. CR ( 1) C 85 /***. RY*( 2) C 84 1.13 10.96 0.100 213. CR ( 1) C 85 /***. RY*( 2) C 87 1.36 11.26 0.111 213. CR ( 1) C 85 /***. BD*( 1) C 83 - C 84 1.23 10.25 0.101 213. CR ( 1) C 85 /***. BD*( 1) C 84 - C 92 0.85 10.12 0.084 213. CR ( 1) C 85 /***. BD*( 1) C 87 - C 89 0.89 10.28 0.086 214. CR ( 1) C 87 /***. RY*( 2) C 85 0.77 11.15 0.083 214. CR ( 1) C 87 /***. RY*( 4) C 85 0.92 11.19 0.091 214. CR ( 1) C 87 /***. RY*( 2) C 89 0.77 11.07 0.083 214. CR ( 1) C 87 /***. RY*( 4) C 89 0.73 11.38 0.082 214. CR ( 1) C 87 /***. BD*( 1) C 84 - C 85 1.10 10.27 0.096 214. CR ( 1) C 87 /***. BD*( 1) C 89 - C 91 1.06 10.28 0.094 215. CR ( 1) C 89 /***. RY*( 2) C 87 1.31 11.26 0.109 215. CR ( 1) C 89 /***. RY*( 1) C 91 1.06 11.06 0.097 215. CR ( 1) C 89 /***. RY*( 2) C 91 0.88 10.77 0.087 215. CR ( 1) C 89 /***. RY*( 3) C 91 0.65 10.73 0.075 215. CR ( 1) C 89 /***. BD*( 1) C 83 - C 91 1.26 10.25 0.102 215. CR ( 1) C 89 /***. BD*( 1) C 85 - C 87 0.87 10.28 0.085 215. CR ( 1) C 89 /***. BD*( 1) C 91 - C 102 0.93 10.12 0.088 216. CR ( 1) C 91 /***. RY*( 2) C 83 0.62 10.67 0.073 216. CR ( 1) C 91 /***. RY*( 3) C 83 0.71 10.91 0.079 216. CR ( 1) C 91 /***. RY*( 2) C 89 1.26 11.07 0.105 216. CR ( 1) C 91 /***. RY*( 3) C 102 0.73 10.75 0.079 216. CR ( 1) C 91 /***. BD*( 1)As 2 - C 83 1.26 9.87 0.101 216. CR ( 1) C 91 /***. BD*( 1) C 83 - C 84 1.01 10.26 0.092 216. CR ( 1) C 91 /***. BD*( 1) C 83 - C 91 0.53 10.27 0.067 216. CR ( 1) C 91 /***. BD*( 1) C 87 - C 89 0.93 10.29 0.088 217. CR ( 1) C 92 /228. LP*( 2)Ge 3 0.61 9.73 0.073 217. CR ( 1) C 92 /***. RY*( 1) C 84 0.95 11.07 0.092 217. CR ( 1) C 92 /***. RY*( 3) C 94 0.51 10.70 0.066 217. CR ( 1) C 92 /***. BD*( 1) C 83 - C 84 0.92 10.26 0.088 217. CR ( 1) C 92 /***. BD*( 1) C 84 - C 85 0.59 10.28 0.070 218. CR ( 1) C 94 /***. RY*( 2) C 92 1.03 10.70 0.094 218. CR ( 1) C 94 /***. RY*( 1) H 97 0.55 10.50 0.068 219. CR ( 1) C 98 /***. RY*( 2) C 92 0.62 10.70 0.073 219. CR ( 1) C 98 /***. RY*( 1) H 99 0.55 10.94 0.069 220. CR ( 1) C 102 /***. RY*( 1) C 91 0.95 11.07 0.092 220. CR ( 1) C 102 /***. RY*( 3) C 104 0.55 10.69 0.069 220. CR ( 1) C 102 /***. BD*( 1) C 83 - C 91 0.85 10.27 0.084 220. CR ( 1) C 102 /***. BD*( 1) C 89 - C 91 0.65 10.29 0.073 221. CR ( 1) C 104 /***. RY*( 2) C 102 0.71 10.82 0.078 222. CR ( 1) C 108 /***. RY*( 2) C 102 0.92 10.82 0.089 222. CR ( 1) C 108 /***. RY*( 1) H 109 0.55 10.77 0.069 223. CR ( 1) C 112 /***. RY*( 2) C 81 0.77 10.81 0.081 224. CR ( 1) C 116 /***. RY*( 2) C 81 0.93 10.81 0.089 225. LP ( 1)As 1 /228. LP*( 2)Ge 3 5.04 0.45 0.044 225. LP ( 1)As 1 /291. RY*( 1)Ge 3 9.36 0.99 0.087 225. LP ( 1)As 1 /292. RY*( 2)Ge 3 3.96 1.49 0.070 225. LP ( 1)As 1 /***. BD*( 1)As 1 -Ge 3 2.16 0.55 0.031 225. LP ( 1)As 1 /***. BD*( 1)As 1 - C 4 0.70 0.62 0.019 225. LP ( 1)As 1 /***. BD*( 1) C 4 - C 5 1.85 1.01 0.039 225. LP ( 1)As 1 /***. BD*( 2) C 4 - C 5 1.71 0.51 0.028 225. LP ( 1)As 1 /***. BD*( 1) C 33 - C 34 3.98 0.98 0.056 225. LP ( 1)As 1 /***. BD*( 1) C 52 - H 53 0.67 0.90 0.022 226. LP ( 1)As 2 /228. LP*( 2)Ge 3 3.62 0.45 0.037 226. LP ( 1)As 2 /291. RY*( 1)Ge 3 9.23 0.98 0.086 226. LP ( 1)As 2 /292. RY*( 2)Ge 3 4.02 1.49 0.070 226. LP ( 1)As 2 /***. BD*( 1)As 2 -Ge 3 2.01 0.55 0.030 226. LP ( 1)As 2 /***. BD*( 1)As 2 - C 62 0.71 0.62 0.019 226. LP ( 1)As 2 /***. BD*( 1) C 62 - C 63 2.10 1.00 0.041 226. LP ( 1)As 2 /***. BD*( 2) C 62 - C 63 1.45 0.50 0.026 226. LP ( 1)As 2 /***. BD*( 1) C 81 - H 82 0.50 0.89 0.019 226. LP ( 1)As 2 /***. BD*( 1) C 83 - C 84 3.88 0.98 0.056 226. LP ( 1)As 2 /***. BD*( 1) C 102 - H 103 0.80 0.89 0.024 227. LP ( 1)Ge 3 /***. BD*( 2) C 33 - C 34 0.89 0.46 0.020 227. LP ( 1)Ge 3 /***. BD*( 2) C 83 - C 84 0.59 0.46 0.016 228. LP*( 2)Ge 3 /***. BD*( 1)As 1 -Ge 3 1.05 0.10 0.025 228. LP*( 2)Ge 3 /***. BD*( 1)As 2 -Ge 3 0.72 0.10 0.021 228. LP*( 2)Ge 3 /***. BD*( 2) C 33 - C 34 5.11 0.03 0.020 228. LP*( 2)Ge 3 /***. BD*( 2) C 83 - C 84 3.10 0.04 0.018 ***. BD*( 2) C 4 - C 5 /324. RY*( 3) C 4 0.84 0.96 0.059 ***. BD*( 2) C 4 - C 5 /342. RY*( 3) C 5 1.19 0.80 0.064 ***. BD*( 2) C 4 - C 5 /360. RY*( 3) C 6 0.60 0.55 0.037 ***. BD*( 2) C 4 - C 5 /***. BD*( 1)As 1 -Ge 3 0.73 0.04 0.011 ***. BD*( 2) C 4 - C 5 /***. BD*( 1)As 1 - C 33 2.42 0.07 0.026 ***. BD*( 2) C 4 - C 5 /***. BD*( 1) C 13 - C 15 0.90 0.31 0.034 ***. BD*( 2) C 4 - C 5 /***. BD*( 1) C 13 - C 19 1.55 0.31 0.044 ***. BD*( 2) C 6 - C 8 /360. RY*( 3) C 6 1.73 0.55 0.067 ***. BD*( 2) C 6 - C 8 /383. RY*( 3) C 8 2.40 0.50 0.075 ***. BD*( 2) C 10 - C 12 /406. RY*( 3) C 10 1.11 0.93 0.069 ***. BD*( 2) C 10 - C 12 /***. BD*( 1) C 23 - C 29 1.48 0.30 0.045 ***. BD*( 2) C 33 - C 34 /625. RY*( 3) C 33 0.68 1.19 0.055 ***. BD*( 2) C 33 - C 34 /643. RY*( 3) C 34 1.68 0.91 0.076 ***. BD*( 2) C 33 - C 34 /661. RY*( 3) C 35 0.72 0.60 0.040 ***. BD*( 2) C 33 - C 34 /***. BD*( 1)As 1 - C 4 0.60 0.13 0.016 ***. BD*( 2) C 33 - C 34 /***. BD*( 1)As 2 -Ge 3 0.74 0.07 0.013 ***. BD*( 2) C 33 - C 34 /***. BD*( 2) C 35 - C 37 201.96 0.01 0.074 ***. BD*( 2) C 33 - C 34 /***. BD*( 2) C 39 - C 41 123.37 0.02 0.067 ***. BD*( 2) C 33 - C 34 /***. BD*( 1) C 42 - C 44 1.56 0.33 0.043 ***. BD*( 2) C 33 - C 34 /***. BD*( 1) C 42 - C 48 1.23 0.33 0.038 ***. BD*( 2) C 35 - C 37 /661. RY*( 3) C 35 1.37 0.59 0.063 ***. BD*( 2) C 35 - C 37 /684. RY*( 3) C 37 1.92 0.55 0.072 ***. BD*( 2) C 39 - C 41 /707. RY*( 3) C 39 1.63 0.69 0.075 ***. BD*( 2) C 39 - C 41 /***. BD*( 1) C 52 - C 54 0.75 0.32 0.034 ***. BD*( 2) C 39 - C 41 /***. BD*( 1) C 52 - C 58 1.43 0.31 0.046 ***. BD*( 2) C 62 - C 63 /926. RY*( 3) C 62 0.76 0.99 0.056 ***. BD*( 2) C 62 - C 63 /944. RY*( 3) C 63 1.23 0.79 0.064 ***. BD*( 2) C 62 - C 63 /962. RY*( 3) C 64 0.60 0.53 0.037 ***. BD*( 2) C 62 - C 63 /***. BD*( 1)As 2 -Ge 3 0.62 0.05 0.010 ***. BD*( 2) C 62 - C 63 /***. BD*( 1)As 2 - C 83 2.47 0.08 0.026 ***. BD*( 2) C 62 - C 63 /***. BD*( 1) C 71 - C 73 0.99 0.31 0.035 ***. BD*( 2) C 62 - C 63 /***. BD*( 1) C 71 - C 77 1.52 0.31 0.043 ***. BD*( 2) C 64 - C 66 /962. RY*( 3) C 64 1.90 0.53 0.069 ***. BD*( 2) C 64 - C 66 /985. RY*( 3) C 66 2.43 0.51 0.076 ***. BD*( 2) C 68 - C 70 /***. RY*( 3) C 68 1.73 0.70 0.075 ***. BD*( 2) C 68 - C 70 /***. BD*( 1) C 81 - C 112 1.40 0.31 0.044 ***. BD*( 2) C 68 - C 70 /***. BD*( 1) C 81 - C 116 1.38 0.31 0.043 ***. BD*( 2) C 83 - C 84 /***. RY*( 2) C 83 0.63 0.90 0.047 ***. BD*( 2) C 83 - C 84 /***. RY*( 3) C 83 0.50 1.14 0.047 ***. BD*( 2) C 83 - C 84 /***. RY*( 3) C 84 1.85 0.82 0.077 ***. BD*( 2) C 83 - C 84 /***. RY*( 3) C 85 0.61 0.58 0.037 ***. BD*( 2) C 83 - C 84 /***. BD*( 1)As 1 -Ge 3 0.63 0.06 0.011 ***. BD*( 2) C 83 - C 84 /***. BD*( 1)As 2 - C 62 0.72 0.13 0.018 ***. BD*( 2) C 83 - C 84 /***. BD*( 2) C 89 - C 91 163.37 0.01 0.068 ***. BD*( 2) C 83 - C 84 /***. BD*( 1) C 92 - C 94 1.47 0.33 0.043 ***. BD*( 2) C 83 - C 84 /***. BD*( 1) C 92 - C 98 1.29 0.32 0.040 ***. BD*( 2) C 85 - C 87 /***. RY*( 3) C 85 1.55 0.57 0.066 ***. BD*( 2) C 85 - C 87 /***. RY*( 3) C 87 2.20 0.53 0.076 ***. BD*( 2) C 89 - C 91 /***. RY*( 3) C 89 1.87 0.65 0.077 ***. BD*( 2) C 89 - C 91 /***. BD*( 1) C 102 - C 104 0.90 0.32 0.037 ***. BD*( 2) C 89 - C 91 /***. BD*( 1) C 102 - C 108 1.47 0.31 0.047 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C48H68GeAs2) 1. BD ( 1)As 1 -Ge 3 1.88857 -0.33552 1565(v),1530(v),1534(v) 228(g),463(r),292(g),291(g) 1566(v),764(r),1546(r) 323(v),314(g),1121(r),626(v) 263(v),316(g) 2. BD ( 1)As 1 - C 4 1.95283 -0.44633 1543(v),1535(v),427(v) 340(v),228(v),291(v),1566(v) 1529(v),1528(g),1526(g) 1534(g),1532(g),322(g) 3. BD ( 1)As 1 - C 33 1.91808 -0.43394 228(v),1575(v),1567(v) 728(v),641(v),291(v),292(v) 1527(g),1532(v),1564(g) 1526(g),1533(v),552(r) 4. BD ( 1)As 2 -Ge 3 1.89460 -0.33969 1623(v),1527(v),1598(v) 292(g),1065(r),291(g),228(g) 1300(r),1624(v),925(v) 519(r),1610(r),314(g) 1162(v),1154(r),316(g) 232(v),924(v),294(g) 5. BD ( 1)As 2 - C 62 1.95338 -0.44754 1607(v),1599(v),1029(v) 942(v),228(v),291(v),1624(v) 1531(g),1526(v),1596(g) 1529(g),1598(g),1623(v) 924(g) 6. BD ( 1)As 2 - C 83 1.91883 -0.43081 228(v),1633(v),1625(v) 1264(v),292(v),1177(v) 291(v),1596(v),1622(g) 1530(g),1597(v),1529(g) 1154(r) 7. BD ( 1) C 4 - C 5 1.96970 -0.61723 1535(g),1545(v),1534(g) 1536(g),1537(v),427(v) 428(v),1527(g),1547(v) 363(v),355(g),445(v) 8. BD ( 2) C 4 - C 5 1.66202 -0.21289 1544(v),1539(v),1548(v) 1528(v),1547(v),360(v) 1578(r),429(v) 9. BD ( 1) C 4 - C 12 1.96792 -0.61257 1536(v),1543(g),1532(g) 1545(g),1542(v),340(v) 1556(v),341(v),1527(g) 409(v),1526(v),534(v),442(g) 404(v) 10. BD ( 1) C 5 - C 6 1.96563 -0.60716 1527(v),1532(g),1538(g) 1540(v),1536(g),445(v) 382(v),322(v),1537(g) 1546(v),381(v),373(g) 11. BD ( 1) C 5 - C 13 1.96614 -0.53702 1532(g),1534(v),1538(v) 1535(g),358(v),322(v) 1553(v),1550(v),1548(g) 1547(g),1546(g),502(v) 12. BD ( 1) C 6 - H 7 1.97669 -0.44643 1532(v),1541(v),340(v) 381(v),1535(g),1540(v) 13. BD ( 1) C 6 - C 8 1.97697 -0.62026 1535(g),1536(v),1541(g) 1542(v),341(v),405(v) 1537(g),1540(g),340(v) 404(v) 14. BD ( 2) C 6 - C 8 1.67340 -0.21444 1533(v),1544(v),406(v) 15. BD ( 1) C 8 - H 9 1.97912 -0.44896 1535(v),1543(v),358(v) 404(v),411(v),1542(v) 1537(v),365(v) 16. BD ( 1) C 8 - C 10 1.97637 -0.61729 1543(g),1545(v),1538(g) 1537(v),359(v),428(v) 1542(g),1540(g),427(v) 358(v) 17. BD ( 1) C 10 - H 11 1.97603 -0.44560 1534(v),1538(v),427(v) 381(v),1543(g),1540(v) 18. BD ( 1) C 10 - C 12 1.96695 -0.61136 1527(v),1534(g),1541(g) 1540(v),1545(g),382(v) 534(v),1542(g),323(v),322(v) 381(v),1555(v),418(g) 19. BD ( 2) C 10 - C 12 1.66063 -0.21142 1539(v),1533(v),1557(v) 383(v),1555(v) 20. BD ( 1) C 12 - C 23 1.96685 -0.53749 1532(v),1534(g),1541(v) 1543(g),322(v),404(v) 1562(v),1559(v),1556(g) 1557(g),591(v),1555(g) 21. BD ( 1) C 13 - H 14 1.95331 -0.41988 1535(v),1549(v),1554(v) 228(r),1526(r),1529(r) 1528(r),341(v) 22. BD ( 1) C 13 - C 15 1.97233 -0.52682 1532(v),1533(v),1552(v) 1536(g),501(v),463(v),341(v) 1546(g),1548(g) 23. BD ( 1) C 13 - C 19 1.96867 -0.52463 1533(v),1551(v),342(v) 1532(v),1536(g),468(v) 1546(g),1547(g) 24. BD ( 1) C 15 - H 16 1.98790 -0.43395 1546(v),446(v) 25. BD ( 1) C 15 - H 17 1.98484 -0.43020 1536(v) 26. BD ( 1) C 15 - H 18 1.98725 -0.43150 1548(v),445(v),447(v) 27. BD ( 1) C 19 - H 20 1.97445 -0.43252 1529(r),1547(v),446(v) 28. BD ( 1) C 19 - H 21 1.98364 -0.42976 1536(v),228(r) 29. BD ( 1) C 19 - H 22 1.98732 -0.43176 1546(v),446(v) 30. BD ( 1) C 23 - H 24 1.95676 -0.41745 1543(v),1558(v),1563(v) 1544(v),428(v) 31. BD ( 1) C 23 - C 25 1.97763 -0.53288 1534(v),1561(v),1545(g) 590(v),1557(g),429(v) 1555(g),552(v),1559(g) 32. BD ( 1) C 23 - C 29 1.96483 -0.52394 1544(v),1560(v),1545(g) 429(v),557(v),1556(g) 1555(g),1543(v) 33. BD ( 1) C 25 - H 26 1.98836 -0.43628 1555(v),535(v) 34. BD ( 1) C 25 - H 27 1.98601 -0.43282 1545(v) 35. BD ( 1) C 25 - H 28 1.98685 -0.43637 1557(v),534(v),536(v) 36. BD ( 1) C 29 - H 30 1.98514 -0.43178 1556(v) 37. BD ( 1) C 29 - H 31 1.98512 -0.43134 1545(v),535(v) 38. BD ( 1) C 29 - H 32 1.98839 -0.43069 1555(v),534(v) 39. BD ( 1) C 33 - C 34 1.96675 -0.62494 228(r),1567(g),1577(v) 1568(g),1566(g),728(v) 1569(v),730(v),230(v) 1528(g),1580(v),746(v) 657(g),659(v),625(g) 40. BD ( 2) C 33 - C 34 1.65046 -0.23225 1576(v),1571(v),228(r) 1579(v),1580(v),661(v) 729(v),1555(r),730(v) 41. BD ( 1) C 33 - C 41 1.96616 -0.62058 228(r),1568(v),1575(g) 1577(g),1564(g),641(v) 1574(v),1588(v),230(v) 1526(v),743(g),705(v),709(v) 1528(g) 42. BD ( 1) C 34 - C 35 1.96380 -0.61701 1528(v),1564(g),1570(g) 1572(v),746(v),228(r) 1568(g),683(v),1569(g) 1578(v),623(v),682(v),672(g) 43. BD ( 1) C 34 - C 42 1.96505 -0.54443 228(r),1564(g),1570(v) 1566(v),1567(g),623(v) 659(v),1582(v),1585(v) 1579(g),1580(g),1578(g) 803(v) 44. BD ( 1) C 35 - H 36 1.97571 -0.45467 1564(v),1573(v),641(v) 682(v),1567(g),1572(v) 45. BD ( 1) C 35 - C 37 1.97709 -0.63244 1567(g),1568(v),1573(g) 1574(v),642(v),706(v) 1569(g),1572(g),705(v) 643(v),641(v) 46. BD ( 2) C 35 - C 37 1.66954 -0.22573 1565(v),1576(v),707(v) 47. BD ( 1) C 37 - H 38 1.97904 -0.45965 1567(v),1575(v),705(v) 659(v),1569(v),1574(v) 48. BD ( 1) C 37 - C 39 1.97644 -0.62783 1575(g),1577(v),1570(g) 1569(v),660(v),730(v),729(v) 1574(g),1572(g),659(v) 728(v) 49. BD ( 1) C 39 - H 40 1.97615 -0.45478 1566(v),1570(v),728(v) 682(v),1575(g),1572(v) 50. BD ( 1) C 39 - C 41 1.96616 -0.62306 1566(g),1528(v),1573(g) 1572(v),1577(g),835(v) 683(v),1574(g),1587(v) 228(r),682(v),721(g),623(v) 625(v) 51. BD ( 2) C 39 - C 41 1.65701 -0.22226 1571(v),1565(v),1589(v) 684(v),1588(v),624(v) 52. BD ( 1) C 41 - C 52 1.96546 -0.54420 1566(g),1564(v),1573(v) 1575(g),705(v),623(v) 1594(v),228(r),1591(v) 1588(g),1589(g),892(v) 1587(g),858(v) 53. BD ( 1) C 42 - H 43 1.95318 -0.42155 1567(v),1586(v),1581(v) 1529(r),228(r),1568(g) 54. BD ( 1) C 42 - C 44 1.96609 -0.52632 1565(v),1564(v),1584(v) 1568(g),1578(g),802(v) 764(v),1580(g),642(v) 55. BD ( 1) C 42 - C 48 1.97093 -0.52634 1565(v),1564(v),1583(v) 1568(g),643(v),769(v) 1578(g),228(r),1579(g) 56. BD ( 1) C 44 - H 45 1.98717 -0.43218 1578(v),747(v) 57. BD ( 1) C 44 - H 46 1.98500 -0.42842 1568(v) 58. BD ( 1) C 44 - H 47 1.98500 -0.43399 1580(v),746(v) 59. BD ( 1) C 48 - H 49 1.97519 -0.43176 1579(v),1529(r),228(r) 746(v),1526(r) 60. BD ( 1) C 48 - H 50 1.98499 -0.43189 1568(v),747(v) 61. BD ( 1) C 48 - H 51 1.98813 -0.43585 1578(v),747(v) 62. BD ( 1) C 52 - H 53 1.95187 -0.41876 1575(v),1590(v),1595(v) 1527(r),1528(r) 63. BD ( 1) C 52 - C 54 1.97505 -0.53346 1566(v),1593(v),1577(g) 730(v),891(v),1576(v) 1589(g),1587(g) 64. BD ( 1) C 52 - C 58 1.96451 -0.52849 1576(v),1592(v),1577(g) 729(v),1566(v),858(v) 1587(g),1588(g) 65. BD ( 1) C 54 - H 55 1.98764 -0.43718 1587(v),836(v) 66. BD ( 1) C 54 - H 56 1.98529 -0.43142 1577(v),836(v) 67. BD ( 1) C 54 - H 57 1.98343 -0.43663 1589(v),1531(r),835(v) 68. BD ( 1) C 58 - H 59 1.98535 -0.43434 1588(v),835(v) 69. BD ( 1) C 58 - H 60 1.98506 -0.43258 1577(v) 70. BD ( 1) C 58 - H 61 1.98812 -0.43421 1587(v),836(v) 71. BD ( 1) C 62 - C 63 1.96934 -0.61623 1599(g),1609(v),1598(g) 1600(g),1601(v),1029(v) 1030(v),1530(g),965(v) 1611(v),957(g),1047(v) 925(g) 72. BD ( 2) C 62 - C 63 1.65253 -0.21179 1608(v),1603(v),1612(v) 1611(v),1531(v),962(v) 1031(v),1636(r) 73. BD ( 1) C 62 - C 70 1.96861 -0.61476 1607(g),1600(v),1596(g) 1609(g),1606(v),942(v) 943(v),1530(g),1136(v) 1529(v),1010(v),1044(g) 1620(v) 74. BD ( 1) C 63 - C 64 1.96581 -0.60815 1530(v),1596(g),1602(g) 1604(v),1600(g),1047(v) 984(v),924(v),1601(g) 1610(v),983(v),976(g) 75. BD ( 1) C 63 - C 71 1.96594 -0.53713 1596(g),1598(v),1602(v) 1599(g),924(v),960(v) 1617(v),1614(v),1612(g) 1611(g),1610(g),1104(v) 76. BD ( 1) C 64 - H 65 1.97673 -0.44644 1596(v),1605(v),942(v) 983(v),1599(g),1604(v) 77. BD ( 1) C 64 - C 66 1.97663 -0.61832 1599(g),1600(v),1605(g) 1606(v),943(v),1007(v) 1601(g),1604(g),942(v) 1006(v) 78. BD ( 2) C 64 - C 66 1.66669 -0.21379 1597(v),1608(v),1008(v) 79. BD ( 1) C 66 - H 67 1.97919 -0.44898 1599(v),1607(v),960(v) 1006(v),1601(v),1606(v) 80. BD ( 1) C 66 - C 68 1.97637 -0.61903 1607(g),1609(v),1602(g) 1601(v),1030(v),961(v) 1606(g),1604(g),1029(v) 960(v) 81. BD ( 1) C 68 - H 69 1.97651 -0.44636 1598(v),1602(v),1029(v) 983(v),1607(g),1604(v) 82. BD ( 1) C 68 - C 70 1.96630 -0.60945 1530(v),1598(g),1605(g) 1604(v),1609(g),1136(v) 984(v),1606(g),1619(v) 925(v),924(v),983(v),1023(g) 83. BD ( 2) C 68 - C 70 1.65274 -0.21063 1603(v),1597(v),1620(v) 1621(v),985(v),1641(r) 1658(r) 84. BD ( 1) C 70 - C 81 1.96564 -0.53498 1596(v),1598(g),1605(v) 1607(g),1006(v),924(v) 1658(v),1654(v),1620(g) 1621(g),1619(g),1461(v) 1494(v),925(v) 85. BD ( 1) C 71 - H 72 1.95327 -0.41967 1599(v),1613(v),1618(v) 228(r),1526(r),1529(r) 1531(r),943(v) 86. BD ( 1) C 71 - C 73 1.97155 -0.52710 1596(v),1597(v),1616(v) 1600(g),1065(v),1103(v) 943(v),1610(g),1612(g) 87. BD ( 1) C 71 - C 77 1.96964 -0.52565 1597(v),1615(v),944(v) 1596(v),1600(g),1070(v) 1610(g),1611(g) 88. BD ( 1) C 73 - H 74 1.98775 -0.43454 1610(v),1048(v) 89. BD ( 1) C 73 - H 75 1.98466 -0.43135 1600(v),1048(v) 90. BD ( 1) C 73 - H 76 1.98711 -0.43212 1612(v),1047(v),1049(v) 91. BD ( 1) C 77 - H 78 1.97572 -0.43309 1526(r),1611(v) 92. BD ( 1) C 77 - H 79 1.98385 -0.42968 1600(v) 93. BD ( 1) C 77 - H 80 1.98748 -0.43242 1610(v) 94. BD ( 1) C 81 - H 82 1.95749 -0.41814 1607(v),1656(v),1659(v) 1529(r),1530(r),1030(v) 95. BD ( 1) C 81 - C 112 1.97184 -0.52708 1598(v),1608(v),1657(v) 1031(v),1609(g),1493(v) 1619(g),1621(g),1154(v) 96. BD ( 1) C 81 - C 116 1.96923 -0.52527 1608(v),1598(v),1655(v) 1609(g),1460(v),1030(v) 1619(g),1154(v),1620(g) 97. BD ( 1) C 83 - C 84 1.96773 -0.62211 228(r),1625(g),1635(v) 1626(g),1624(g),1264(v) 1627(v),1266(v),1531(g) 261(v),1193(g),1161(g) 1282(v),1195(v),1265(v) 98. BD ( 2) C 83 - C 84 1.64627 -0.22507 1634(v),1629(v),228(r) 1637(v),1638(v),1197(v) 1266(v),1530(v) 99. BD ( 1) C 83 - C 91 1.96671 -0.61863 1626(v),1633(g),228(r) 1635(g),1622(g),1632(v) 1177(v),1178(v),1646(v) 1529(v),1280(g),261(v) 1531(g),1241(v),1371(v) 100. BD ( 1) C 84 - C 85 1.96385 -0.61437 1531(v),1622(g),1628(g) 1630(v),1282(v),1626(g) 1219(v),228(r),1627(g) 1636(v),1159(v),1218(v) 1208(g) 101. BD ( 1) C 84 - C 92 1.96535 -0.54118 1622(g),1628(v),228(r) 1624(v),1625(g),1159(v) 1195(v),1640(v),1643(v) 1637(g),1638(g),1636(g) 1306(v),1339(v) 102. BD ( 1) C 85 - H 86 1.97582 -0.45247 1622(v),1631(v),1177(v) 1218(v),1625(g),1630(v) 103. BD ( 1) C 85 - C 87 1.97694 -0.62962 1625(g),1626(v),1631(g) 1632(v),1178(v),1242(v) 1627(g),1630(g),1241(v) 1177(v) 104. BD ( 2) C 85 - C 87 1.67026 -0.22337 1623(v),1634(v),1243(v) 105. BD ( 1) C 87 - H 88 1.97907 -0.45729 1625(v),1633(v),1241(v) 1195(v),1627(v),1632(v) 106. BD ( 1) C 87 - C 89 1.97643 -0.62586 1633(g),1635(v),1628(g) 1627(v),1196(v),1265(v) 1632(g),1630(g),1266(v) 1195(v),1264(v) 107. BD ( 1) C 89 - H 90 1.97643 -0.45304 1624(v),1628(v),1264(v) 1218(v),1633(g),1630(v) 108. BD ( 1) C 89 - C 91 1.96623 -0.61988 1624(g),1531(v),1631(g) 1630(v),1635(g),1371(v) 1219(v),1632(g),1645(v) 1218(v),1161(v),1159(v) 1258(g),228(r) 109. BD ( 2) C 89 - C 91 1.65584 -0.21951 1629(v),1623(v),1647(v) 1220(v),1646(v),1160(v) 110. BD ( 1) C 91 - C 102 1.96545 -0.54160 1624(g),1622(v),1631(v) 1633(g),1241(v),1159(v) 1652(v),1649(v),1647(g) 1646(g),228(r),1428(v) 1645(g),1394(v) 111. BD ( 1) C 92 - H 93 1.95350 -0.42108 1625(v),1639(v),1644(v) 1526(r),228(r),1178(v) 1626(g) 112. BD ( 1) C 92 - C 94 1.96768 -0.52422 1623(v),1622(v),1642(v) 1626(g),1636(g),1338(v) 1300(v),1638(g),1178(v) 113. BD ( 1) C 92 - C 98 1.96999 -0.52369 1623(v),1622(v),1641(v) 1626(g),1305(v),1179(v) 228(r),1636(g),1637(g) 114. BD ( 1) C 94 - H 95 1.98729 -0.42969 1636(v),1283(v) 115. BD ( 1) C 94 - H 96 1.98512 -0.42557 1626(v) 116. BD ( 1) C 94 - H 97 1.98630 -0.43067 1638(v),1282(v) 117. BD ( 1) C 98 - H 99 1.97473 -0.43158 1637(v),228(r),1526(r) 1282(v),1529(r) 118. BD ( 1) C 98 - H 100 1.98463 -0.43053 1626(v),1283(v) 119. BD ( 1) C 98 - H 101 1.98793 -0.43417 1636(v),1283(v) 120. BD ( 1) C 102 - H 103 1.95279 -0.41765 1633(v),1648(v),1653(v) 1530(r),1531(r),1265(v) 121. BD ( 1) C 102 - C 104 1.97390 -0.53165 1624(v),1651(v),1635(g) 1266(v),1634(v),1427(v) 1647(g),1645(g) 122. BD ( 1) C 102 - C 108 1.96625 -0.52848 1634(v),1650(v),1635(g) 1624(v),1265(v),1394(v) 1645(g),1646(g) 123. BD ( 1) C 104 - H 105 1.98757 -0.43615 1645(v),1372(v) 124. BD ( 1) C 104 - H 106 1.98514 -0.43066 1635(v),1372(v) 125. BD ( 1) C 104 - H 107 1.98321 -0.43624 1647(v),1528(r),1371(v) 126. BD ( 1) C 108 - H 109 1.98543 -0.43444 1646(v),1371(v) 127. BD ( 1) C 108 - H 110 1.98541 -0.43278 1635(v) 128. BD ( 1) C 108 - H 111 1.98789 -0.43428 1645(v),1372(v) 129. BD ( 1) C 112 - H 113 1.98592 -0.42797 1609(v),1137(v) 130. BD ( 1) C 112 - H 114 1.98588 -0.43029 1621(v),1136(v) 131. BD ( 1) C 112 - H 115 1.98764 -0.43128 1619(v),1137(v) 132. BD ( 1) C 116 - H 117 1.98740 -0.42976 1620(v),1136(v) 133. BD ( 1) C 116 - H 118 1.98574 -0.43088 1609(v) 134. BD ( 1) C 116 - H 119 1.98772 -0.43258 1619(v),1137(v) 135. CR ( 1)As 1 2.00000 -420.48369 136. CR ( 2)As 1 2.00000 -53.80270 291(v),228(v),292(v),1526(g) 137. CR ( 3)As 1 1.99830 -9.32924 291(v),228(v),292(v),1526(g) 1564(v),1527(g),1532(v) 1534(v),1528(g),322(v) 1566(v),623(v) 138. CR ( 4)As 1 2.00000 -47.52666 139. CR ( 5)As 1 1.99974 -4.99667 140. CR ( 6)As 1 2.00000 -47.52735 141. CR ( 7)As 1 1.99976 -4.99749 142. CR ( 8)As 1 2.00000 -47.52570 143. CR ( 9)As 1 1.99983 -4.99505 144. CR ( 10)As 1 1.99952 -1.51342 145. CR ( 11)As 1 1.99968 -1.50976 146. CR ( 12)As 1 1.99962 -1.51108 147. CR ( 13)As 1 1.99941 -1.51330 148. CR ( 14)As 1 1.99972 -1.50949 149. CR ( 1)As 2 2.00000 -420.43186 150. CR ( 2)As 2 2.00000 -53.85808 291(v),228(v),292(v),1529(g) 151. CR ( 3)As 2 1.99829 -9.32012 291(v),228(v),292(v),1529(g) 1622(v),1530(g),1596(v) 1598(v),1531(g),924(v) 1624(v),1159(v) 152. CR ( 4)As 2 2.00000 -47.52429 153. CR ( 5)As 2 1.99973 -4.99538 154. CR ( 6)As 2 2.00000 -47.52492 155. CR ( 7)As 2 1.99977 -4.99628 156. CR ( 8)As 2 2.00000 -47.52327 157. CR ( 9)As 2 1.99982 -4.99374 158. CR ( 10)As 2 1.99952 -1.51171 159. CR ( 11)As 2 1.99967 -1.50806 160. CR ( 12)As 2 1.99961 -1.50921 161. CR ( 13)As 2 1.99939 -1.51159 162. CR ( 14)As 2 1.99971 -1.50767 163. CR ( 1)Ge 3 2.00000 -394.07274 164. CR ( 2)Ge 3 2.00000 -49.80997 165. CR ( 3)Ge 3 1.99951 -8.08985 166. CR ( 4)Ge 3 2.00000 -43.75156 167. CR ( 5)Ge 3 1.99991 -4.33744 168. CR ( 6)Ge 3 2.00000 -43.75301 169. CR ( 7)Ge 3 1.99983 -4.34313 170. CR ( 8)Ge 3 2.00000 -43.75071 171. CR ( 9)Ge 3 1.99990 -4.33524 172. CR ( 10)Ge 3 1.99970 -1.10134 173. CR ( 11)Ge 3 1.99957 -1.09642 174. CR ( 12)Ge 3 1.99982 -1.09947 175. CR ( 13)Ge 3 1.99978 -1.10164 176. CR ( 14)Ge 3 1.99977 -1.09676 177. CR ( 1) C 4 1.99872 -9.77095 341(v),1536(v),428(v) 1545(v),1535(v),1543(v) 429(v) 178. CR ( 1) C 5 1.99882 -9.76170 1527(v),323(v),359(v) 1534(v),1538(v),447(v) 1532(g) 179. CR ( 1) C 6 1.99897 -9.74829 382(v),341(v),1532(v) 1536(v),340(v),1541(v) 180. CR ( 1) C 8 1.99906 -9.75363 1535(v),1543(v),359(v) 361(v),405(v),401(v) 181. CR ( 1) C 10 1.99895 -9.74736 382(v),428(v),1534(v) 1545(v),427(v),1538(v) 182. CR ( 1) C 12 1.99882 -9.76248 1527(v),405(v),1532(v) 1541(v),323(v),536(v),324(v) 183. CR ( 1) C 13 1.99912 -9.76846 340(v),1532(v),1535(v) 184. CR ( 1) C 15 1.99926 -9.74643 446(v) 185. CR ( 1) C 19 1.99928 -9.74831 446(v),519(v) 186. CR ( 1) C 23 1.99910 -9.76926 427(v),1534(v),1543(v) 187. CR ( 1) C 25 1.99928 -9.74996 535(v) 188. CR ( 1) C 29 1.99926 -9.74785 535(v) 189. CR ( 1) C 33 1.99865 -9.78769 228(r),642(v),1568(v),730(v) 1577(v),1575(v),1567(v) 729(v),731(v) 190. CR ( 1) C 34 1.99872 -9.77460 228(r),1528(v),660(v),625(v) 1566(v),1570(v),624(v) 748(v),1564(g) 191. CR ( 1) C 35 1.99894 -9.75707 683(v),1564(v),641(v) 1573(v),1568(v),642(v) 643(v) 192. CR ( 1) C 37 1.99906 -9.76577 1567(v),1575(v),662(v) 660(v),708(v),706(v),701(v) 193. CR ( 1) C 39 1.99894 -9.75680 683(v),1566(v),728(v),730(v) 1577(v),1570(v) 194. CR ( 1) C 41 1.99877 -9.77137 1528(v),706(v),1564(v) 1573(v),228(r),837(v),624(v) 1566(g),626(v),623(v) 195. CR ( 1) C 42 1.99907 -9.76826 641(v),1564(v),228(r) 1567(v),771(v) 196. CR ( 1) C 44 1.99924 -9.74624 747(v) 197. CR ( 1) C 48 1.99929 -9.74967 747(v),820(v) 198. CR ( 1) C 52 1.99910 -9.77000 728(v),1566(v),1575(v) 860(v) 199. CR ( 1) C 54 1.99926 -9.75018 836(v) 200. CR ( 1) C 58 1.99925 -9.75088 836(v),909(v) 201. CR ( 1) C 62 1.99871 -9.76892 943(v),1030(v),1600(v) 1609(v),1607(v),1599(v) 1032(v),945(v) 202. CR ( 1) C 63 1.99882 -9.76088 1530(v),925(v),961(v) 1598(v),1602(v),1049(v) 1596(g) 203. CR ( 1) C 64 1.99897 -9.74884 943(v),984(v),1596(v) 1600(v),1605(v),942(v) 204. CR ( 1) C 66 1.99906 -9.75389 1607(v),1599(v),1007(v) 961(v),963(v),1009(v) 205. CR ( 1) C 68 1.99896 -9.74767 984(v),1030(v),1598(v) 1609(v),1602(v),1029(v) 206. CR ( 1) C 70 1.99882 -9.76030 1530(v),1007(v),1596(v) 1605(v),1138(v),926(v) 925(v) 207. CR ( 1) C 71 1.99912 -9.76892 942(v),1596(v),1599(v) 208. CR ( 1) C 73 1.99926 -9.74773 1048(v) 209. CR ( 1) C 77 1.99929 -9.74872 1048(v) 210. CR ( 1) C 81 1.99909 -9.76639 1029(v),1598(v),1607(v) 211. CR ( 1) C 83 1.99865 -9.78346 228(r),1178(v),1626(v) 1635(v),1633(v),1265(v) 1625(v),1266(v),1267(v) 1529(v) 212. CR ( 1) C 84 1.99874 -9.77145 228(r),1531(v),1161(v) 1196(v),1624(v),1628(v) 1284(v) 213. CR ( 1) C 85 1.99895 -9.75487 1219(v),1622(v),1178(v) 1177(v),1631(v),1626(v) 214. CR ( 1) C 87 1.99905 -9.76292 1625(v),1633(v),1198(v) 1242(v),1196(v),1244(v) 215. CR ( 1) C 89 1.99894 -9.75487 1219(v),1624(v),1264(v) 1635(v),1265(v),1628(v) 1266(v) 216. CR ( 1) C 91 1.99878 -9.76831 1531(v),1242(v),1622(v) 1631(v),1373(v),1161(v) 1160(v),1624(g) 217. CR ( 1) C 92 1.99908 -9.76725 1177(v),1622(v),228(r) 1625(v),1307(v) 218. CR ( 1) C 94 1.99924 -9.74237 1283(v),1333(v) 219. CR ( 1) C 98 1.99929 -9.74820 1283(v),1356(v) 220. CR ( 1) C 102 1.99910 -9.76922 1264(v),1624(v),1633(v) 1396(v) 221. CR ( 1) C 104 1.99926 -9.74937 1372(v) 222. CR ( 1) C 108 1.99925 -9.75088 1372(v),1445(v) 223. CR ( 1) C 112 1.99925 -9.74481 1137(v) 224. CR ( 1) C 116 1.99926 -9.74774 1137(v) 225. LP ( 1)As 1 1.92024 -0.48870 291(v),228(v),292(v),1564(v) 1526(g),1533(v),1532(v) 1527(g),1587(r),1565(v) 226. LP ( 1)As 2 1.91910 -0.48159 291(v),292(v),1622(v),228(v) 1596(v),1529(g),1597(v) 1645(r),1530(g),1623(v) 227. LP ( 1)Ge 3 1.96857 -0.45936 1565(r),1623(r) 228. LP*( 2)Ge 3 0.20885 -0.03572 1565(r),1623(r),1526(g) 1529(g) 229. RY*( 1)As 1 0.00402 0.99252 230. RY*( 2)As 1 0.00263 1.27964 231. RY*( 3)As 1 0.00222 1.16435 232. RY*( 4)As 1 0.00159 1.04394 233. RY*( 5)As 1 0.00139 1.10298 234. RY*( 6)As 1 0.00117 1.02107 235. RY*( 7)As 1 0.00107 1.18073 236. RY*( 8)As 1 0.00077 1.04659 237. RY*( 9)As 1 0.00057 1.20200 238. RY*( 10)As 1 0.00042 1.38819 239. RY*( 11)As 1 0.00031 1.57995 240. RY*( 12)As 1 0.00026 1.48074 241. RY*( 13)As 1 0.00018 2.52562 242. RY*( 14)As 1 0.00012 1.76813 243. RY*( 15)As 1 0.00004 3.77781 244. RY*( 16)As 1 0.00003 5.19779 245. RY*( 17)As 1 0.00003 3.56605 246. RY*( 18)As 1 0.00001 10.65018 247. RY*( 19)As 1 0.00000 3.86817 248. RY*( 20)As 1 0.00000 239.03584 249. RY*( 21)As 1 0.00001 8.41920 250. RY*( 22)As 1 0.00000 3.80472 251. RY*( 23)As 1 0.00000 239.04996 252. RY*( 24)As 1 0.00000 239.03812 253. RY*( 25)As 1 0.00000 3.80592 254. RY*( 26)As 1 0.00001 7.93216 255. RY*( 27)As 1 0.00001 7.84674 256. RY*( 28)As 1 0.00001 3.81173 257. RY*( 29)As 1 0.00000 51.29210 258. RY*( 30)As 1 0.00000 889.29220 259. RY*( 31)As 1 0.00000 3.78454 260. RY*( 1)As 2 0.00404 1.01423 261. RY*( 2)As 2 0.00254 1.35976 262. RY*( 3)As 2 0.00211 1.07607 263. RY*( 4)As 2 0.00173 0.95743 264. RY*( 5)As 2 0.00147 1.23982 265. RY*( 6)As 2 0.00126 1.11631 266. RY*( 7)As 2 0.00111 1.29660 267. RY*( 8)As 2 0.00073 0.82114 268. RY*( 9)As 2 0.00070 1.16964 269. RY*( 10)As 2 0.00046 1.36145 270. RY*( 11)As 2 0.00034 1.55821 271. RY*( 12)As 2 0.00030 1.58534 272. RY*( 13)As 2 0.00018 2.21416 273. RY*( 14)As 2 0.00012 2.02188 274. RY*( 15)As 2 0.00005 4.42213 275. RY*( 16)As 2 0.00003 4.80343 276. RY*( 17)As 2 0.00004 4.16524 277. RY*( 18)As 2 0.00002 6.87765 278. RY*( 19)As 2 0.00000 4.18698 279. RY*( 20)As 2 0.00000 8.40749 280. RY*( 21)As 2 0.00000 239.01036 281. RY*( 22)As 2 0.00000 4.72681 282. RY*( 23)As 2 0.00001 8.56572 283. RY*( 24)As 2 0.00000 239.03990 284. RY*( 25)As 2 0.00000 3.91500 285. RY*( 26)As 2 0.00001 8.11930 286. RY*( 27)As 2 0.00000 238.94732 287. RY*( 28)As 2 0.00001 4.13209 288. RY*( 29)As 2 0.00000 49.73530 289. RY*( 30)As 2 0.00000 890.51946 290. RY*( 31)As 2 0.00000 4.35290 291. RY*( 1)Ge 3 0.02870 0.50165 292. RY*( 2)Ge 3 0.01471 1.00604 293. RY*( 3)Ge 3 0.00625 0.55783 294. RY*( 4)Ge 3 0.00407 1.29450 295. RY*( 5)Ge 3 0.00120 1.28779 296. RY*( 6)Ge 3 0.00113 1.34225 297. RY*( 7)Ge 3 0.00074 1.29334 298. RY*( 8)Ge 3 0.00069 1.29953 299. RY*( 9)Ge 3 0.00059 1.14861 300. RY*( 10)Ge 3 0.00040 1.60027 301. RY*( 11)Ge 3 0.00036 1.57479 302. RY*( 12)Ge 3 0.00026 1.27254 303. RY*( 13)Ge 3 0.00023 1.62816 304. RY*( 14)Ge 3 0.00017 2.03024 305. RY*( 15)Ge 3 0.00010 1.78160 306. RY*( 16)Ge 3 0.00011 1.94752 307. RY*( 17)Ge 3 0.00005 2.01943 308. RY*( 18)Ge 3 0.00001 11.35319 309. RY*( 19)Ge 3 0.00001 3.38584 310. RY*( 20)Ge 3 0.00001 3.19547 311. RY*( 21)Ge 3 0.00000 6.41334 312. RY*( 22)Ge 3 0.00000 221.08462 313. RY*( 23)Ge 3 0.00000 837.16420 314. RY*( 24)Ge 3 0.00001 6.15784 315. RY*( 25)Ge 3 0.00000 3.20307 316. RY*( 26)Ge 3 0.00000 221.03579 317. RY*( 27)Ge 3 0.00001 6.43778 318. RY*( 28)Ge 3 0.00001 3.25821 319. RY*( 29)Ge 3 0.00000 221.04774 320. RY*( 30)Ge 3 0.00000 42.65108 321. RY*( 31)Ge 3 0.00001 3.19751 322. RY*( 1) C 4 0.00755 1.37532 323. RY*( 2) C 4 0.00280 1.36914 324. RY*( 3) C 4 0.00240 0.98315 325. RY*( 4) C 4 0.00088 1.36305 326. RY*( 5) C 4 0.00063 2.65049 327. RY*( 6) C 4 0.00052 2.11552 328. RY*( 7) C 4 0.00037 2.01346 329. RY*( 8) C 4 0.00030 1.79821 330. RY*( 9) C 4 0.00021 2.01112 331. RY*( 10) C 4 0.00012 3.08417 332. RY*( 11) C 4 0.00009 3.11228 333. RY*( 12) C 4 0.00007 2.89339 334. RY*( 13) C 4 0.00005 3.20107 335. RY*( 14) C 4 0.00004 3.25962 336. RY*( 15) C 4 0.00004 3.07174 337. RY*( 16) C 4 0.00002 3.83591 338. RY*( 17) C 4 0.00001 21.89742 339. RY*( 18) C 4 0.00001 3.03800 340. RY*( 1) C 5 0.00723 1.38430 341. RY*( 2) C 5 0.00431 1.27397 342. RY*( 3) C 5 0.00369 0.82257 343. RY*( 4) C 5 0.00197 1.09715 344. RY*( 5) C 5 0.00064 2.71883 345. RY*( 6) C 5 0.00052 2.60974 346. RY*( 7) C 5 0.00044 3.28568 347. RY*( 8) C 5 0.00026 1.49132 348. RY*( 9) C 5 0.00022 2.55717 349. RY*( 10) C 5 0.00011 2.55771 350. RY*( 11) C 5 0.00012 3.14149 351. RY*( 12) C 5 0.00006 3.46838 352. RY*( 13) C 5 0.00005 3.96934 353. RY*( 14) C 5 0.00006 2.66988 354. RY*( 15) C 5 0.00003 3.58350 355. RY*( 16) C 5 0.00001 19.43039 356. RY*( 17) C 5 0.00001 3.52132 357. RY*( 18) C 5 0.00001 2.98934 358. RY*( 1) C 6 0.00547 1.44537 359. RY*( 2) C 6 0.00189 1.38145 360. RY*( 3) C 6 0.00112 0.56918 361. RY*( 4) C 6 0.00080 1.69092 362. RY*( 5) C 6 0.00045 2.29891 363. RY*( 6) C 6 0.00043 2.16211 364. RY*( 7) C 6 0.00026 2.78471 365. RY*( 8) C 6 0.00016 2.60077 366. RY*( 9) C 6 0.00013 4.56959 367. RY*( 10) C 6 0.00007 1.21345 368. RY*( 11) C 6 0.00004 2.43585 369. RY*( 12) C 6 0.00003 4.09154 370. RY*( 13) C 6 0.00002 3.67541 371. RY*( 14) C 6 0.00002 3.72167 372. RY*( 15) C 6 0.00000 4.46725 373. RY*( 16) C 6 0.00000 14.70331 374. RY*( 17) C 6 0.00000 3.45024 375. RY*( 18) C 6 0.00000 3.37785 376. RY*( 1) H 7 0.00302 0.55450 377. RY*( 2) H 7 0.00027 2.18224 378. RY*( 3) H 7 0.00025 2.07365 379. RY*( 4) H 7 0.00006 2.58287 380. RY*( 5) H 7 0.00004 2.79660 381. RY*( 1) C 8 0.00543 1.48264 382. RY*( 2) C 8 0.00185 1.54399 383. RY*( 3) C 8 0.00106 0.51587 384. RY*( 4) C 8 0.00079 2.30334 385. RY*( 5) C 8 0.00044 2.55256 386. RY*( 6) C 8 0.00023 2.46310 387. RY*( 7) C 8 0.00018 3.27317 388. RY*( 8) C 8 0.00008 2.08046 389. RY*( 9) C 8 0.00006 3.15739 390. RY*( 10) C 8 0.00005 1.30212 391. RY*( 11) C 8 0.00002 3.92161 392. RY*( 12) C 8 0.00002 2.41885 393. RY*( 13) C 8 0.00002 3.43538 394. RY*( 14) C 8 0.00002 2.36379 395. RY*( 15) C 8 0.00001 2.74955 396. RY*( 16) C 8 0.00000 16.84289 397. RY*( 17) C 8 0.00000 3.49833 398. RY*( 18) C 8 0.00000 3.43100 399. RY*( 1) H 9 0.00190 0.53623 400. RY*( 2) H 9 0.00023 1.86937 401. RY*( 3) H 9 0.00021 2.22875 402. RY*( 4) H 9 0.00006 2.53475 403. RY*( 5) H 9 0.00004 2.76163 404. RY*( 1) C 10 0.00561 1.43176 405. RY*( 2) C 10 0.00199 1.21868 406. RY*( 3) C 10 0.00118 0.95331 407. RY*( 4) C 10 0.00068 1.62512 408. RY*( 5) C 10 0.00046 2.21004 409. RY*( 6) C 10 0.00043 2.14931 410. RY*( 7) C 10 0.00025 2.50062 411. RY*( 8) C 10 0.00017 2.96627 412. RY*( 9) C 10 0.00012 4.30868 413. RY*( 10) C 10 0.00008 1.47814 414. RY*( 11) C 10 0.00003 3.86185 415. RY*( 12) C 10 0.00003 2.96783 416. RY*( 13) C 10 0.00003 1.99472 417. RY*( 14) C 10 0.00000 3.50936 418. RY*( 15) C 10 0.00000 17.02959 419. RY*( 16) C 10 0.00001 2.84875 420. RY*( 17) C 10 0.00000 3.42011 421. RY*( 18) C 10 0.00001 4.22594 422. RY*( 1) H 11 0.00261 0.55554 423. RY*( 2) H 11 0.00029 2.27903 424. RY*( 3) H 11 0.00025 1.93266 425. RY*( 4) H 11 0.00007 2.58230 426. RY*( 5) H 11 0.00004 2.81515 427. RY*( 1) C 12 0.00755 1.38813 428. RY*( 2) C 12 0.00449 1.09883 429. RY*( 3) C 12 0.00372 0.97083 430. RY*( 4) C 12 0.00143 1.21763 431. RY*( 5) C 12 0.00060 2.71368 432. RY*( 6) C 12 0.00049 2.57766 433. RY*( 7) C 12 0.00044 3.18418 434. RY*( 8) C 12 0.00026 2.12736 435. RY*( 9) C 12 0.00024 2.12051 436. RY*( 10) C 12 0.00012 2.13347 437. RY*( 11) C 12 0.00011 3.15111 438. RY*( 12) C 12 0.00010 3.33955 439. RY*( 13) C 12 0.00006 2.97007 440. RY*( 14) C 12 0.00005 3.29042 441. RY*( 15) C 12 0.00003 3.91023 442. RY*( 16) C 12 0.00001 19.73659 443. RY*( 17) C 12 0.00001 3.57331 444. RY*( 18) C 12 0.00001 3.03416 445. RY*( 1) C 13 0.00568 0.99761 446. RY*( 2) C 13 0.00208 1.09188 447. RY*( 3) C 13 0.00186 1.10495 448. RY*( 4) C 13 0.00082 1.40543 449. RY*( 5) C 13 0.00057 2.61428 450. RY*( 6) C 13 0.00041 3.11165 451. RY*( 7) C 13 0.00028 2.00963 452. RY*( 8) C 13 0.00025 2.20425 453. RY*( 9) C 13 0.00019 2.56802 454. RY*( 10) C 13 0.00016 2.89862 455. RY*( 11) C 13 0.00013 1.79023 456. RY*( 12) C 13 0.00010 2.62260 457. RY*( 13) C 13 0.00006 3.33157 458. RY*( 14) C 13 0.00003 4.18174 459. RY*( 15) C 13 0.00004 3.16501 460. RY*( 16) C 13 0.00002 3.59853 461. RY*( 17) C 13 0.00002 3.16337 462. RY*( 18) C 13 0.00000 20.38148 463. RY*( 1) H 14 0.00751 0.96898 464. RY*( 2) H 14 0.00028 2.56356 465. RY*( 3) H 14 0.00019 2.36148 466. RY*( 4) H 14 0.00013 2.47093 467. RY*( 5) H 14 0.00008 3.00242 468. RY*( 1) C 15 0.00295 0.72713 469. RY*( 2) C 15 0.00181 0.86088 470. RY*( 3) C 15 0.00053 0.99525 471. RY*( 4) C 15 0.00021 1.62283 472. RY*( 5) C 15 0.00018 1.36716 473. RY*( 6) C 15 0.00014 1.62193 474. RY*( 7) C 15 0.00012 1.27915 475. RY*( 8) C 15 0.00008 1.90619 476. RY*( 9) C 15 0.00004 1.74956 477. RY*( 10) C 15 0.00001 2.89177 478. RY*( 11) C 15 0.00002 2.39862 479. RY*( 12) C 15 0.00001 2.88832 480. RY*( 13) C 15 0.00001 2.95119 481. RY*( 14) C 15 0.00000 3.25389 482. RY*( 15) C 15 0.00000 22.51941 483. RY*( 16) C 15 0.00000 3.34684 484. RY*( 17) C 15 0.00000 3.46353 485. RY*( 18) C 15 0.00000 3.44302 486. RY*( 1) H 16 0.00160 0.72018 487. RY*( 2) H 16 0.00018 2.04334 488. RY*( 3) H 16 0.00019 2.03872 489. RY*( 4) H 16 0.00012 2.02802 490. RY*( 5) H 16 0.00002 2.66675 491. RY*( 1) H 17 0.00196 0.62694 492. RY*( 2) H 17 0.00018 2.27884 493. RY*( 3) H 17 0.00010 2.08075 494. RY*( 4) H 17 0.00011 2.08821 495. RY*( 5) H 17 0.00003 2.71442 496. RY*( 1) H 18 0.00131 0.70075 497. RY*( 2) H 18 0.00023 1.98374 498. RY*( 3) H 18 0.00013 2.11874 499. RY*( 4) H 18 0.00013 2.09102 500. RY*( 5) H 18 0.00003 2.70968 501. RY*( 1) C 19 0.00278 0.73118 502. RY*( 2) C 19 0.00197 0.90634 503. RY*( 3) C 19 0.00074 1.01571 504. RY*( 4) C 19 0.00044 0.97914 505. RY*( 5) C 19 0.00025 1.10739 506. RY*( 6) C 19 0.00020 1.46802 507. RY*( 7) C 19 0.00014 1.91981 508. RY*( 8) C 19 0.00011 1.65793 509. RY*( 9) C 19 0.00008 2.98370 510. RY*( 10) C 19 0.00003 1.42142 511. RY*( 11) C 19 0.00001 3.06663 512. RY*( 12) C 19 0.00001 3.44607 513. RY*( 13) C 19 0.00002 3.16879 514. RY*( 14) C 19 0.00000 3.27999 515. RY*( 15) C 19 0.00000 3.51795 516. RY*( 16) C 19 0.00000 3.48832 517. RY*( 17) C 19 0.00000 22.54253 518. RY*( 18) C 19 0.00001 3.02918 519. RY*( 1) H 20 0.00221 1.25385 520. RY*( 2) H 20 0.00032 2.12311 521. RY*( 3) H 20 0.00019 2.08869 522. RY*( 4) H 20 0.00010 2.30984 523. RY*( 5) H 20 0.00004 2.51109 524. RY*( 1) H 21 0.00190 0.61230 525. RY*( 2) H 21 0.00023 2.34297 526. RY*( 3) H 21 0.00011 2.05052 527. RY*( 4) H 21 0.00011 2.08944 528. RY*( 5) H 21 0.00003 2.76794 529. RY*( 1) H 22 0.00179 0.66464 530. RY*( 2) H 22 0.00024 2.03936 531. RY*( 3) H 22 0.00015 2.20745 532. RY*( 4) H 22 0.00011 1.95268 533. RY*( 5) H 22 0.00002 2.67872 534. RY*( 1) C 23 0.00559 1.01157 535. RY*( 2) C 23 0.00215 1.04391 536. RY*( 3) C 23 0.00161 1.02686 537. RY*( 4) C 23 0.00076 2.01313 538. RY*( 5) C 23 0.00064 1.99565 539. RY*( 6) C 23 0.00040 2.85432 540. RY*( 7) C 23 0.00033 2.60356 541. RY*( 8) C 23 0.00023 2.57930 542. RY*( 9) C 23 0.00018 2.35533 543. RY*( 10) C 23 0.00015 1.74718 544. RY*( 11) C 23 0.00010 2.63609 545. RY*( 12) C 23 0.00007 2.44981 546. RY*( 13) C 23 0.00006 2.20217 547. RY*( 14) C 23 0.00002 3.93082 548. RY*( 15) C 23 0.00003 3.16085 549. RY*( 16) C 23 0.00003 4.53243 550. RY*( 17) C 23 0.00000 20.41704 551. RY*( 18) C 23 0.00001 3.21638 552. RY*( 1) H 24 0.00518 0.67735 553. RY*( 2) H 24 0.00023 2.39864 554. RY*( 3) H 24 0.00019 2.46478 555. RY*( 4) H 24 0.00012 2.38102 556. RY*( 5) H 24 0.00007 2.88093 557. RY*( 1) C 25 0.00300 0.72964 558. RY*( 2) C 25 0.00184 0.80753 559. RY*( 3) C 25 0.00044 0.97535 560. RY*( 4) C 25 0.00022 1.14357 561. RY*( 5) C 25 0.00019 1.23566 562. RY*( 6) C 25 0.00015 2.08960 563. RY*( 7) C 25 0.00012 1.77718 564. RY*( 8) C 25 0.00007 2.26049 565. RY*( 9) C 25 0.00005 1.36282 566. RY*( 10) C 25 0.00000 3.30449 567. RY*( 11) C 25 0.00001 2.91709 568. RY*( 12) C 25 0.00000 3.25856 569. RY*( 13) C 25 0.00000 22.45682 570. RY*( 14) C 25 0.00000 3.49526 571. RY*( 15) C 25 0.00001 3.16756 572. RY*( 16) C 25 0.00001 2.84041 573. RY*( 17) C 25 0.00001 1.65860 574. RY*( 18) C 25 0.00000 3.53901 575. RY*( 1) H 26 0.00175 0.70256 576. RY*( 2) H 26 0.00020 2.02906 577. RY*( 3) H 26 0.00013 2.05675 578. RY*( 4) H 26 0.00010 2.08455 579. RY*( 5) H 26 0.00002 2.57914 580. RY*( 1) H 27 0.00155 0.58698 581. RY*( 2) H 27 0.00017 2.02103 582. RY*( 3) H 27 0.00012 2.05548 583. RY*( 4) H 27 0.00009 2.09249 584. RY*( 5) H 27 0.00002 2.69140 585. RY*( 1) H 28 0.00112 0.90065 586. RY*( 2) H 28 0.00018 1.99758 587. RY*( 3) H 28 0.00013 2.02848 588. RY*( 4) H 28 0.00009 2.03437 589. RY*( 5) H 28 0.00003 2.57264 590. RY*( 1) C 29 0.00286 0.71957 591. RY*( 2) C 29 0.00215 0.82028 592. RY*( 3) C 29 0.00070 0.90932 593. RY*( 4) C 29 0.00026 1.26762 594. RY*( 5) C 29 0.00018 1.58820 595. RY*( 6) C 29 0.00013 2.20587 596. RY*( 7) C 29 0.00011 1.51277 597. RY*( 8) C 29 0.00007 1.63739 598. RY*( 9) C 29 0.00005 1.85485 599. RY*( 10) C 29 0.00002 1.80217 600. RY*( 11) C 29 0.00001 3.47970 601. RY*( 12) C 29 0.00001 3.05066 602. RY*( 13) C 29 0.00000 3.44689 603. RY*( 14) C 29 0.00001 3.12142 604. RY*( 15) C 29 0.00000 22.32173 605. RY*( 16) C 29 0.00000 3.39593 606. RY*( 17) C 29 0.00000 2.62559 607. RY*( 18) C 29 0.00000 3.48054 608. RY*( 1) H 30 0.00224 0.58196 609. RY*( 2) H 30 0.00028 2.29720 610. RY*( 3) H 30 0.00013 1.96816 611. RY*( 4) H 30 0.00010 2.18533 612. RY*( 5) H 30 0.00004 2.65877 613. RY*( 1) H 31 0.00195 0.59207 614. RY*( 2) H 31 0.00022 2.03238 615. RY*( 3) H 31 0.00013 2.08123 616. RY*( 4) H 31 0.00009 2.14173 617. RY*( 5) H 31 0.00002 2.71535 618. RY*( 1) H 32 0.00211 0.57834 619. RY*( 2) H 32 0.00026 2.03756 620. RY*( 3) H 32 0.00012 1.95149 621. RY*( 4) H 32 0.00010 2.19030 622. RY*( 5) H 32 0.00003 2.66245 623. RY*( 1) C 33 0.00681 1.42700 624. RY*( 2) C 33 0.00378 0.92845 625. RY*( 3) C 33 0.00234 1.18937 626. RY*( 4) C 33 0.00157 1.26003 627. RY*( 5) C 33 0.00064 2.40198 628. RY*( 6) C 33 0.00062 1.93897 629. RY*( 7) C 33 0.00041 1.81224 630. RY*( 8) C 33 0.00030 1.38863 631. RY*( 9) C 33 0.00023 1.99818 632. RY*( 10) C 33 0.00014 3.42922 633. RY*( 11) C 33 0.00009 3.13396 634. RY*( 12) C 33 0.00007 2.88772 635. RY*( 13) C 33 0.00005 3.05502 636. RY*( 14) C 33 0.00003 3.34313 637. RY*( 15) C 33 0.00003 3.72308 638. RY*( 16) C 33 0.00002 3.58243 639. RY*( 17) C 33 0.00001 2.96572 640. RY*( 18) C 33 0.00001 22.14350 641. RY*( 1) C 34 0.00858 1.27482 642. RY*( 2) C 34 0.00577 1.10392 643. RY*( 3) C 34 0.00406 0.90713 644. RY*( 4) C 34 0.00241 1.19178 645. RY*( 5) C 34 0.00062 2.88488 646. RY*( 6) C 34 0.00055 2.58088 647. RY*( 7) C 34 0.00036 3.32560 648. RY*( 8) C 34 0.00031 1.38974 649. RY*( 9) C 34 0.00023 2.42459 650. RY*( 10) C 34 0.00014 2.29571 651. RY*( 11) C 34 0.00014 3.67790 652. RY*( 12) C 34 0.00009 2.82052 653. RY*( 13) C 34 0.00005 2.98492 654. RY*( 14) C 34 0.00005 3.05351 655. RY*( 15) C 34 0.00003 3.46247 656. RY*( 16) C 34 0.00001 2.98614 657. RY*( 17) C 34 0.00001 20.79350 658. RY*( 18) C 34 0.00001 3.45530 659. RY*( 1) C 35 0.00573 1.40334 660. RY*( 2) C 35 0.00189 1.38873 661. RY*( 3) C 35 0.00143 0.59481 662. RY*( 4) C 35 0.00088 1.48655 663. RY*( 5) C 35 0.00045 2.15071 664. RY*( 6) C 35 0.00043 2.17736 665. RY*( 7) C 35 0.00028 3.02605 666. RY*( 8) C 35 0.00016 2.37786 667. RY*( 9) C 35 0.00014 4.44638 668. RY*( 10) C 35 0.00009 1.29278 669. RY*( 11) C 35 0.00003 2.55505 670. RY*( 12) C 35 0.00004 2.69842 671. RY*( 13) C 35 0.00003 4.99647 672. RY*( 14) C 35 0.00001 17.25878 673. RY*( 15) C 35 0.00000 3.46151 674. RY*( 16) C 35 0.00001 2.85948 675. RY*( 17) C 35 0.00001 3.27769 676. RY*( 18) C 35 0.00000 3.24623 677. RY*( 1) H 36 0.00304 0.55047 678. RY*( 2) H 36 0.00028 2.37717 679. RY*( 3) H 36 0.00027 1.90660 680. RY*( 4) H 36 0.00006 2.56769 681. RY*( 5) H 36 0.00004 2.80815 682. RY*( 1) C 37 0.00536 1.47448 683. RY*( 2) C 37 0.00192 1.52069 684. RY*( 3) C 37 0.00128 0.55703 685. RY*( 4) C 37 0.00078 2.22796 686. RY*( 5) C 37 0.00048 2.40151 687. RY*( 6) C 37 0.00030 1.92643 688. RY*( 7) C 37 0.00018 3.28190 689. RY*( 8) C 37 0.00009 2.79425 690. RY*( 9) C 37 0.00006 3.24343 691. RY*( 10) C 37 0.00003 1.52458 692. RY*( 11) C 37 0.00004 5.09946 693. RY*( 12) C 37 0.00003 1.89422 694. RY*( 13) C 37 0.00004 2.62223 695. RY*( 14) C 37 0.00002 2.53801 696. RY*( 15) C 37 0.00001 2.79218 697. RY*( 16) C 37 0.00000 3.85998 698. RY*( 17) C 37 0.00000 3.30378 699. RY*( 18) C 37 0.00000 16.20764 700. RY*( 1) H 38 0.00201 0.55356 701. RY*( 2) H 38 0.00024 2.25229 702. RY*( 3) H 38 0.00023 1.86039 703. RY*( 4) H 38 0.00006 2.52869 704. RY*( 5) H 38 0.00004 2.76999 705. RY*( 1) C 39 0.00575 1.41266 706. RY*( 2) C 39 0.00197 1.27471 707. RY*( 3) C 39 0.00134 0.70320 708. RY*( 4) C 39 0.00079 1.58177 709. RY*( 5) C 39 0.00050 2.23814 710. RY*( 6) C 39 0.00044 2.09649 711. RY*( 7) C 39 0.00029 2.52322 712. RY*( 8) C 39 0.00020 2.70911 713. RY*( 9) C 39 0.00013 4.42095 714. RY*( 10) C 39 0.00011 1.25417 715. RY*( 11) C 39 0.00003 4.75895 716. RY*( 12) C 39 0.00004 2.77741 717. RY*( 13) C 39 0.00001 3.10737 718. RY*( 14) C 39 0.00001 2.89258 719. RY*( 15) C 39 0.00001 3.26449 720. RY*( 16) C 39 0.00001 3.30647 721. RY*( 17) C 39 0.00001 17.10659 722. RY*( 18) C 39 0.00001 3.37927 723. RY*( 1) H 40 0.00287 0.55874 724. RY*( 2) H 40 0.00029 2.24524 725. RY*( 3) H 40 0.00024 2.07260 726. RY*( 4) H 40 0.00006 2.56632 727. RY*( 5) H 40 0.00004 2.82226 728. RY*( 1) C 41 0.00916 1.28305 729. RY*( 2) C 41 0.00546 0.92616 730. RY*( 3) C 41 0.00440 1.06833 731. RY*( 4) C 41 0.00217 1.20410 732. RY*( 5) C 41 0.00054 2.91260 733. RY*( 6) C 41 0.00045 2.97724 734. RY*( 7) C 41 0.00035 3.25500 735. RY*( 8) C 41 0.00027 1.87847 736. RY*( 9) C 41 0.00026 1.85961 737. RY*( 10) C 41 0.00014 2.19188 738. RY*( 11) C 41 0.00012 3.10952 739. RY*( 12) C 41 0.00008 2.58432 740. RY*( 13) C 41 0.00009 2.83052 741. RY*( 14) C 41 0.00006 3.44956 742. RY*( 15) C 41 0.00002 3.40774 743. RY*( 16) C 41 0.00001 20.86365 744. RY*( 17) C 41 0.00001 3.13902 745. RY*( 18) C 41 0.00001 3.55037 746. RY*( 1) C 42 0.00625 0.97657 747. RY*( 2) C 42 0.00304 0.94851 748. RY*( 3) C 42 0.00184 1.01173 749. RY*( 4) C 42 0.00068 2.18844 750. RY*( 5) C 42 0.00062 2.12139 751. RY*( 6) C 42 0.00044 2.68787 752. RY*( 7) C 42 0.00031 2.58086 753. RY*( 8) C 42 0.00028 2.95147 754. RY*( 9) C 42 0.00022 1.90786 755. RY*( 10) C 42 0.00018 2.04015 756. RY*( 11) C 42 0.00014 2.45813 757. RY*( 12) C 42 0.00012 2.31875 758. RY*( 13) C 42 0.00006 4.47281 759. RY*( 14) C 42 0.00003 3.86942 760. RY*( 15) C 42 0.00002 3.10086 761. RY*( 16) C 42 0.00002 2.64876 762. RY*( 17) C 42 0.00001 2.87025 763. RY*( 18) C 42 0.00000 21.06674 764. RY*( 1) H 43 0.00645 0.91680 765. RY*( 2) H 43 0.00022 2.41470 766. RY*( 3) H 43 0.00019 2.59654 767. RY*( 4) H 43 0.00013 2.42904 768. RY*( 5) H 43 0.00008 3.02021 769. RY*( 1) C 44 0.00291 0.73492 770. RY*( 2) C 44 0.00233 0.80281 771. RY*( 3) C 44 0.00083 0.96523 772. RY*( 4) C 44 0.00025 1.47702 773. RY*( 5) C 44 0.00017 2.42077 774. RY*( 6) C 44 0.00016 1.14404 775. RY*( 7) C 44 0.00013 1.11198 776. RY*( 8) C 44 0.00007 1.82199 777. RY*( 9) C 44 0.00004 2.49534 778. RY*( 10) C 44 0.00004 1.85474 779. RY*( 11) C 44 0.00002 3.83519 780. RY*( 12) C 44 0.00001 3.35913 781. RY*( 13) C 44 0.00000 21.93475 782. RY*( 14) C 44 0.00000 3.43114 783. RY*( 15) C 44 0.00001 2.74686 784. RY*( 16) C 44 0.00000 3.48907 785. RY*( 17) C 44 0.00001 2.52970 786. RY*( 18) C 44 0.00000 3.36816 787. RY*( 1) H 45 0.00168 0.68721 788. RY*( 2) H 45 0.00024 1.99101 789. RY*( 3) H 45 0.00014 2.14220 790. RY*( 4) H 45 0.00011 2.00429 791. RY*( 5) H 45 0.00002 2.66937 792. RY*( 1) H 46 0.00170 0.57897 793. RY*( 2) H 46 0.00023 2.08781 794. RY*( 3) H 46 0.00013 2.03152 795. RY*( 4) H 46 0.00009 2.15745 796. RY*( 5) H 46 0.00003 2.72293 797. RY*( 1) H 47 0.00263 0.80167 798. RY*( 2) H 47 0.00026 2.45342 799. RY*( 3) H 47 0.00014 2.01562 800. RY*( 4) H 47 0.00010 2.22022 801. RY*( 5) H 47 0.00004 2.71274 802. RY*( 1) C 48 0.00286 0.71600 803. RY*( 2) C 48 0.00220 0.77909 804. RY*( 3) C 48 0.00085 1.05858 805. RY*( 4) C 48 0.00036 0.81641 806. RY*( 5) C 48 0.00022 1.35140 807. RY*( 6) C 48 0.00018 1.38968 808. RY*( 7) C 48 0.00014 2.30105 809. RY*( 8) C 48 0.00009 1.98736 810. RY*( 9) C 48 0.00007 2.45966 811. RY*( 10) C 48 0.00003 1.90621 812. RY*( 11) C 48 0.00003 3.04374 813. RY*( 12) C 48 0.00000 3.44282 814. RY*( 13) C 48 0.00000 22.33222 815. RY*( 14) C 48 0.00001 3.15677 816. RY*( 15) C 48 0.00000 3.35093 817. RY*( 16) C 48 0.00000 3.51860 818. RY*( 17) C 48 0.00001 2.87993 819. RY*( 18) C 48 0.00000 3.07353 820. RY*( 1) H 49 0.00168 1.21361 821. RY*( 2) H 49 0.00022 2.24680 822. RY*( 3) H 49 0.00015 1.96615 823. RY*( 4) H 49 0.00010 2.40426 824. RY*( 5) H 49 0.00005 2.42995 825. RY*( 1) H 50 0.00173 0.57172 826. RY*( 2) H 50 0.00019 2.13191 827. RY*( 3) H 50 0.00013 2.09748 828. RY*( 4) H 50 0.00011 2.08634 829. RY*( 5) H 50 0.00003 2.70194 830. RY*( 1) H 51 0.00149 0.74500 831. RY*( 2) H 51 0.00021 2.12619 832. RY*( 3) H 51 0.00012 1.99358 833. RY*( 4) H 51 0.00012 2.02287 834. RY*( 5) H 51 0.00002 2.65107 835. RY*( 1) C 52 0.00598 0.94460 836. RY*( 2) C 52 0.00264 1.08984 837. RY*( 3) C 52 0.00171 0.99117 838. RY*( 4) C 52 0.00066 2.60441 839. RY*( 5) C 52 0.00064 1.76780 840. RY*( 6) C 52 0.00040 2.94008 841. RY*( 7) C 52 0.00031 2.58940 842. RY*( 8) C 52 0.00027 2.08272 843. RY*( 9) C 52 0.00022 2.37215 844. RY*( 10) C 52 0.00016 1.91067 845. RY*( 11) C 52 0.00013 2.53450 846. RY*( 12) C 52 0.00011 2.36309 847. RY*( 13) C 52 0.00005 4.13157 848. RY*( 14) C 52 0.00003 4.97501 849. RY*( 15) C 52 0.00002 3.66269 850. RY*( 16) C 52 0.00002 3.13297 851. RY*( 17) C 52 0.00002 2.97402 852. RY*( 18) C 52 0.00000 18.90106 853. RY*( 1) H 53 0.00428 0.75897 854. RY*( 2) H 53 0.00032 2.41159 855. RY*( 3) H 53 0.00022 2.26996 856. RY*( 4) H 53 0.00013 2.47767 857. RY*( 5) H 53 0.00008 2.92761 858. RY*( 1) C 54 0.00296 0.72960 859. RY*( 2) C 54 0.00184 0.86677 860. RY*( 3) C 54 0.00065 0.92724 861. RY*( 4) C 54 0.00022 1.65460 862. RY*( 5) C 54 0.00020 1.18562 863. RY*( 6) C 54 0.00016 1.82768 864. RY*( 7) C 54 0.00013 1.52164 865. RY*( 8) C 54 0.00009 1.69137 866. RY*( 9) C 54 0.00006 2.46463 867. RY*( 10) C 54 0.00003 1.81561 868. RY*( 11) C 54 0.00001 2.34393 869. RY*( 12) C 54 0.00001 3.50228 870. RY*( 13) C 54 0.00001 3.02406 871. RY*( 14) C 54 0.00000 3.37940 872. RY*( 15) C 54 0.00000 22.26564 873. RY*( 16) C 54 0.00001 3.40807 874. RY*( 17) C 54 0.00001 3.25124 875. RY*( 18) C 54 0.00000 3.52302 876. RY*( 1) H 55 0.00157 0.72353 877. RY*( 2) H 55 0.00024 2.00586 878. RY*( 3) H 55 0.00017 2.12900 879. RY*( 4) H 55 0.00010 2.01715 880. RY*( 5) H 55 0.00002 2.65634 881. RY*( 1) H 56 0.00154 0.57711 882. RY*( 2) H 56 0.00024 2.09348 883. RY*( 3) H 56 0.00012 1.96974 884. RY*( 4) H 56 0.00010 2.24611 885. RY*( 5) H 56 0.00003 2.67677 886. RY*( 1) H 57 0.00209 0.76989 887. RY*( 2) H 57 0.00027 2.45549 888. RY*( 3) H 57 0.00015 1.99027 889. RY*( 4) H 57 0.00011 2.14719 890. RY*( 5) H 57 0.00004 2.73564 891. RY*( 1) C 58 0.00269 0.71661 892. RY*( 2) C 58 0.00203 0.81983 893. RY*( 3) C 58 0.00069 0.92799 894. RY*( 4) C 58 0.00023 1.49898 895. RY*( 5) C 58 0.00017 1.20799 896. RY*( 6) C 58 0.00014 1.88501 897. RY*( 7) C 58 0.00009 1.09026 898. RY*( 8) C 58 0.00004 1.42859 899. RY*( 9) C 58 0.00005 2.09447 900. RY*( 10) C 58 0.00001 3.46958 901. RY*( 11) C 58 0.00001 2.00316 902. RY*( 12) C 58 0.00000 3.47227 903. RY*( 13) C 58 0.00000 22.58617 904. RY*( 14) C 58 0.00001 2.77196 905. RY*( 15) C 58 0.00001 3.23613 906. RY*( 16) C 58 0.00000 3.37830 907. RY*( 17) C 58 0.00000 3.21138 908. RY*( 18) C 58 0.00000 3.42655 909. RY*( 1) H 59 0.00164 1.05184 910. RY*( 2) H 59 0.00030 1.95315 911. RY*( 3) H 59 0.00011 2.02304 912. RY*( 4) H 59 0.00011 2.09315 913. RY*( 5) H 59 0.00004 2.65057 914. RY*( 1) H 60 0.00171 0.57391 915. RY*( 2) H 60 0.00015 2.06359 916. RY*( 3) H 60 0.00013 2.06289 917. RY*( 4) H 60 0.00008 2.05636 918. RY*( 5) H 60 0.00002 2.69146 919. RY*( 1) H 61 0.00191 0.65200 920. RY*( 2) H 61 0.00017 2.08851 921. RY*( 3) H 61 0.00012 1.92794 922. RY*( 4) H 61 0.00010 2.10346 923. RY*( 5) H 61 0.00002 2.66730 924. RY*( 1) C 62 0.00740 1.39704 925. RY*( 2) C 62 0.00293 1.37774 926. RY*( 3) C 62 0.00258 1.01350 927. RY*( 4) C 62 0.00094 1.42088 928. RY*( 5) C 62 0.00063 2.57853 929. RY*( 6) C 62 0.00052 2.12670 930. RY*( 7) C 62 0.00038 2.08300 931. RY*( 8) C 62 0.00027 1.99090 932. RY*( 9) C 62 0.00023 1.91810 933. RY*( 10) C 62 0.00011 2.99133 934. RY*( 11) C 62 0.00009 2.89775 935. RY*( 12) C 62 0.00005 3.41536 936. RY*( 13) C 62 0.00006 3.01084 937. RY*( 14) C 62 0.00004 3.04800 938. RY*( 15) C 62 0.00004 3.09539 939. RY*( 16) C 62 0.00002 4.55838 940. RY*( 17) C 62 0.00001 21.12799 941. RY*( 18) C 62 0.00001 3.04217 942. RY*( 1) C 63 0.00723 1.38594 943. RY*( 2) C 63 0.00436 1.27353 944. RY*( 3) C 63 0.00369 0.81103 945. RY*( 4) C 63 0.00196 1.13085 946. RY*( 5) C 63 0.00066 2.73654 947. RY*( 6) C 63 0.00053 2.61075 948. RY*( 7) C 63 0.00044 3.28275 949. RY*( 8) C 63 0.00026 1.77645 950. RY*( 9) C 63 0.00021 2.39081 951. RY*( 10) C 63 0.00012 2.30013 952. RY*( 11) C 63 0.00011 3.12472 953. RY*( 12) C 63 0.00007 3.02725 954. RY*( 13) C 63 0.00005 4.51474 955. RY*( 14) C 63 0.00005 2.45032 956. RY*( 15) C 63 0.00003 3.49230 957. RY*( 16) C 63 0.00001 19.64872 958. RY*( 17) C 63 0.00001 3.58398 959. RY*( 18) C 63 0.00001 3.03910 960. RY*( 1) C 64 0.00546 1.44758 961. RY*( 2) C 64 0.00187 1.37310 962. RY*( 3) C 64 0.00110 0.55025 963. RY*( 4) C 64 0.00078 1.71791 964. RY*( 5) C 64 0.00046 2.29218 965. RY*( 6) C 64 0.00043 2.13817 966. RY*( 7) C 64 0.00026 2.81515 967. RY*( 8) C 64 0.00016 2.52842 968. RY*( 9) C 64 0.00013 4.72395 969. RY*( 10) C 64 0.00007 1.23617 970. RY*( 11) C 64 0.00003 2.58483 971. RY*( 12) C 64 0.00003 4.41995 972. RY*( 13) C 64 0.00004 2.51850 973. RY*( 14) C 64 0.00000 3.26738 974. RY*( 15) C 64 0.00000 2.72622 975. RY*( 16) C 64 0.00001 2.78007 976. RY*( 17) C 64 0.00001 18.18612 977. RY*( 18) C 64 0.00000 3.34703 978. RY*( 1) H 65 0.00304 0.55186 979. RY*( 2) H 65 0.00026 2.33446 980. RY*( 3) H 65 0.00027 1.92643 981. RY*( 4) H 65 0.00006 2.58145 982. RY*( 5) H 65 0.00004 2.79673 983. RY*( 1) C 66 0.00544 1.47215 984. RY*( 2) C 66 0.00190 1.50952 985. RY*( 3) C 66 0.00105 0.52442 986. RY*( 4) C 66 0.00078 2.31661 987. RY*( 5) C 66 0.00045 2.54408 988. RY*( 6) C 66 0.00023 2.33772 989. RY*( 7) C 66 0.00018 3.28752 990. RY*( 8) C 66 0.00008 1.99118 991. RY*( 9) C 66 0.00005 3.34476 992. RY*( 10) C 66 0.00003 1.61716 993. RY*( 11) C 66 0.00003 1.78341 994. RY*( 12) C 66 0.00001 2.85415 995. RY*( 13) C 66 0.00002 3.88883 996. RY*( 14) C 66 0.00002 3.06428 997. RY*( 15) C 66 0.00001 2.72038 998. RY*( 16) C 66 0.00000 17.26907 999. RY*( 17) C 66 0.00000 3.43775 1000. RY*( 18) C 66 0.00000 3.34798 1001. RY*( 1) H 67 0.00191 0.53594 1002. RY*( 2) H 67 0.00023 1.90024 1003. RY*( 3) H 67 0.00021 2.20138 1004. RY*( 4) H 67 0.00006 2.53230 1005. RY*( 5) H 67 0.00004 2.76550 1006. RY*( 1) C 68 0.00544 1.43976 1007. RY*( 2) C 68 0.00185 1.31624 1008. RY*( 3) C 68 0.00103 0.72091 1009. RY*( 4) C 68 0.00075 1.57176 1010. RY*( 5) C 68 0.00046 2.13221 1011. RY*( 6) C 68 0.00045 2.23857 1012. RY*( 7) C 68 0.00028 2.89921 1013. RY*( 8) C 68 0.00016 2.48881 1014. RY*( 9) C 68 0.00013 4.63626 1015. RY*( 10) C 68 0.00007 1.14809 1016. RY*( 11) C 68 0.00003 3.68653 1017. RY*( 12) C 68 0.00003 2.75955 1018. RY*( 13) C 68 0.00003 2.43511 1019. RY*( 14) C 68 0.00000 3.51086 1020. RY*( 15) C 68 0.00001 2.80328 1021. RY*( 16) C 68 0.00000 3.22326 1022. RY*( 17) C 68 0.00000 3.26576 1023. RY*( 18) C 68 0.00001 18.57792 1024. RY*( 1) H 69 0.00301 0.55328 1025. RY*( 2) H 69 0.00029 2.10035 1026. RY*( 3) H 69 0.00026 2.20287 1027. RY*( 4) H 69 0.00006 2.57611 1028. RY*( 5) H 69 0.00004 2.80155 1029. RY*( 1) C 70 0.00777 1.35614 1030. RY*( 2) C 70 0.00464 1.16543 1031. RY*( 3) C 70 0.00382 0.88993 1032. RY*( 4) C 70 0.00176 1.19284 1033. RY*( 5) C 70 0.00065 2.79217 1034. RY*( 6) C 70 0.00049 2.59368 1035. RY*( 7) C 70 0.00039 3.43894 1036. RY*( 8) C 70 0.00027 1.44375 1037. RY*( 9) C 70 0.00025 2.33919 1038. RY*( 10) C 70 0.00012 2.75083 1039. RY*( 11) C 70 0.00009 2.70389 1040. RY*( 12) C 70 0.00008 3.21417 1041. RY*( 13) C 70 0.00004 2.50402 1042. RY*( 14) C 70 0.00005 3.62624 1043. RY*( 15) C 70 0.00003 3.60484 1044. RY*( 16) C 70 0.00001 20.42324 1045. RY*( 17) C 70 0.00001 3.45623 1046. RY*( 18) C 70 0.00001 2.99114 1047. RY*( 1) C 71 0.00579 0.99565 1048. RY*( 2) C 71 0.00214 1.05289 1049. RY*( 3) C 71 0.00174 1.06656 1050. RY*( 4) C 71 0.00077 1.39411 1051. RY*( 5) C 71 0.00059 2.63911 1052. RY*( 6) C 71 0.00041 2.85806 1053. RY*( 7) C 71 0.00029 2.26810 1054. RY*( 8) C 71 0.00026 2.96508 1055. RY*( 9) C 71 0.00020 2.03713 1056. RY*( 10) C 71 0.00015 1.91513 1057. RY*( 11) C 71 0.00011 2.77621 1058. RY*( 12) C 71 0.00011 2.43380 1059. RY*( 13) C 71 0.00006 3.55212 1060. RY*( 14) C 71 0.00003 4.24158 1061. RY*( 15) C 71 0.00003 2.58229 1062. RY*( 16) C 71 0.00002 3.10687 1063. RY*( 17) C 71 0.00002 3.88209 1064. RY*( 18) C 71 0.00000 20.45719 1065. RY*( 1) H 72 0.00790 0.97078 1066. RY*( 2) H 72 0.00027 2.57594 1067. RY*( 3) H 72 0.00019 2.35757 1068. RY*( 4) H 72 0.00013 2.44143 1069. RY*( 5) H 72 0.00008 3.00721 1070. RY*( 1) C 73 0.00295 0.71955 1071. RY*( 2) C 73 0.00181 0.82819 1072. RY*( 3) C 73 0.00053 0.96924 1073. RY*( 4) C 73 0.00020 1.74119 1074. RY*( 5) C 73 0.00017 1.25878 1075. RY*( 6) C 73 0.00014 1.59983 1076. RY*( 7) C 73 0.00011 1.29843 1077. RY*( 8) C 73 0.00008 2.05386 1078. RY*( 9) C 73 0.00004 1.60555 1079. RY*( 10) C 73 0.00002 2.65690 1080. RY*( 11) C 73 0.00000 22.04719 1081. RY*( 12) C 73 0.00000 3.48072 1082. RY*( 13) C 73 0.00001 3.20301 1083. RY*( 14) C 73 0.00000 3.29036 1084. RY*( 15) C 73 0.00001 2.88760 1085. RY*( 16) C 73 0.00000 3.46709 1086. RY*( 17) C 73 0.00001 2.79007 1087. RY*( 18) C 73 0.00000 3.42152 1088. RY*( 1) H 74 0.00160 0.73221 1089. RY*( 2) H 74 0.00019 2.12837 1090. RY*( 3) H 74 0.00013 1.99787 1091. RY*( 4) H 74 0.00011 1.99019 1092. RY*( 5) H 74 0.00002 2.65312 1093. RY*( 1) H 75 0.00160 0.81388 1094. RY*( 2) H 75 0.00020 2.15483 1095. RY*( 3) H 75 0.00013 1.96799 1096. RY*( 4) H 75 0.00011 2.11544 1097. RY*( 5) H 75 0.00002 2.66174 1098. RY*( 1) H 76 0.00128 0.74666 1099. RY*( 2) H 76 0.00017 1.98104 1100. RY*( 3) H 76 0.00013 2.10021 1101. RY*( 4) H 76 0.00012 2.09536 1102. RY*( 5) H 76 0.00003 2.67622 1103. RY*( 1) C 77 0.00275 0.77325 1104. RY*( 2) C 77 0.00195 0.93040 1105. RY*( 3) C 77 0.00073 1.02452 1106. RY*( 4) C 77 0.00038 1.05551 1107. RY*( 5) C 77 0.00026 1.09998 1108. RY*( 6) C 77 0.00018 1.28469 1109. RY*( 7) C 77 0.00016 1.95275 1110. RY*( 8) C 77 0.00010 1.99152 1111. RY*( 9) C 77 0.00007 3.00452 1112. RY*( 10) C 77 0.00003 1.54746 1113. RY*( 11) C 77 0.00001 3.04372 1114. RY*( 12) C 77 0.00002 3.44378 1115. RY*( 13) C 77 0.00000 22.13255 1116. RY*( 14) C 77 0.00000 3.24892 1117. RY*( 15) C 77 0.00000 3.47182 1118. RY*( 16) C 77 0.00000 3.47287 1119. RY*( 17) C 77 0.00001 3.13031 1120. RY*( 18) C 77 0.00000 3.03263 1121. RY*( 1) H 78 0.00267 0.90471 1122. RY*( 2) H 78 0.00049 2.37773 1123. RY*( 3) H 78 0.00018 2.09694 1124. RY*( 4) H 78 0.00010 2.18413 1125. RY*( 5) H 78 0.00005 2.68895 1126. RY*( 1) H 79 0.00209 0.58292 1127. RY*( 2) H 79 0.00024 2.20002 1128. RY*( 3) H 79 0.00014 2.23951 1129. RY*( 4) H 79 0.00009 2.04817 1130. RY*( 5) H 79 0.00003 2.76986 1131. RY*( 1) H 80 0.00179 0.64874 1132. RY*( 2) H 80 0.00027 2.04898 1133. RY*( 3) H 80 0.00017 1.97354 1134. RY*( 4) H 80 0.00014 2.16883 1135. RY*( 5) H 80 0.00002 2.67237 1136. RY*( 1) C 81 0.00612 0.94954 1137. RY*( 2) C 81 0.00217 1.06192 1138. RY*( 3) C 81 0.00163 0.97138 1139. RY*( 4) C 81 0.00062 2.91939 1140. RY*( 5) C 81 0.00055 1.83475 1141. RY*( 6) C 81 0.00043 3.05177 1142. RY*( 7) C 81 0.00028 2.58973 1143. RY*( 8) C 81 0.00023 2.47614 1144. RY*( 9) C 81 0.00017 2.06284 1145. RY*( 10) C 81 0.00017 1.71393 1146. RY*( 11) C 81 0.00013 2.45030 1147. RY*( 12) C 81 0.00011 2.12597 1148. RY*( 13) C 81 0.00005 3.65571 1149. RY*( 14) C 81 0.00005 2.10407 1150. RY*( 15) C 81 0.00002 3.40983 1151. RY*( 16) C 81 0.00002 3.29494 1152. RY*( 17) C 81 0.00001 3.42979 1153. RY*( 18) C 81 0.00001 21.85899 1154. RY*( 1) H 82 0.00656 0.88194 1155. RY*( 2) H 82 0.00024 2.48610 1156. RY*( 3) H 82 0.00020 2.31885 1157. RY*( 4) H 82 0.00016 2.52073 1158. RY*( 5) H 82 0.00007 2.95146 1159. RY*( 1) C 83 0.00703 1.40364 1160. RY*( 2) C 83 0.00395 0.90158 1161. RY*( 3) C 83 0.00234 1.13902 1162. RY*( 4) C 83 0.00157 1.33501 1163. RY*( 5) C 83 0.00064 2.66467 1164. RY*( 6) C 83 0.00059 1.81922 1165. RY*( 7) C 83 0.00037 1.87628 1166. RY*( 8) C 83 0.00033 1.34071 1167. RY*( 9) C 83 0.00024 2.07691 1168. RY*( 10) C 83 0.00014 3.48944 1169. RY*( 11) C 83 0.00009 3.15713 1170. RY*( 12) C 83 0.00006 2.84060 1171. RY*( 13) C 83 0.00004 3.40905 1172. RY*( 14) C 83 0.00004 3.27768 1173. RY*( 15) C 83 0.00004 3.13561 1174. RY*( 16) C 83 0.00001 2.99959 1175. RY*( 17) C 83 0.00002 3.81348 1176. RY*( 18) C 83 0.00001 22.14667 1177. RY*( 1) C 84 0.00824 1.30614 1178. RY*( 2) C 84 0.00529 1.20387 1179. RY*( 3) C 84 0.00383 0.82440 1180. RY*( 4) C 84 0.00236 1.16765 1181. RY*( 5) C 84 0.00060 2.84225 1182. RY*( 6) C 84 0.00055 2.52486 1183. RY*( 7) C 84 0.00037 3.33148 1184. RY*( 8) C 84 0.00030 1.47951 1185. RY*( 9) C 84 0.00023 2.29496 1186. RY*( 10) C 84 0.00015 2.46891 1187. RY*( 11) C 84 0.00013 3.78482 1188. RY*( 12) C 84 0.00008 2.69441 1189. RY*( 13) C 84 0.00006 3.54133 1190. RY*( 14) C 84 0.00004 2.35599 1191. RY*( 15) C 84 0.00003 3.54422 1192. RY*( 16) C 84 0.00001 2.99471 1193. RY*( 17) C 84 0.00001 20.88919 1194. RY*( 18) C 84 0.00001 3.43082 1195. RY*( 1) C 85 0.00562 1.41503 1196. RY*( 2) C 85 0.00187 1.39169 1197. RY*( 3) C 85 0.00129 0.58131 1198. RY*( 4) C 85 0.00094 1.42846 1199. RY*( 5) C 85 0.00046 2.20619 1200. RY*( 6) C 85 0.00043 2.22661 1201. RY*( 7) C 85 0.00028 2.99733 1202. RY*( 8) C 85 0.00017 2.29546 1203. RY*( 9) C 85 0.00014 4.29187 1204. RY*( 10) C 85 0.00010 1.52247 1205. RY*( 11) C 85 0.00003 2.67376 1206. RY*( 12) C 85 0.00003 5.43232 1207. RY*( 13) C 85 0.00004 2.63114 1208. RY*( 14) C 85 0.00001 16.60075 1209. RY*( 15) C 85 0.00000 3.48565 1210. RY*( 16) C 85 0.00001 3.00343 1211. RY*( 17) C 85 0.00000 3.41534 1212. RY*( 18) C 85 0.00001 3.21988 1213. RY*( 1) H 86 0.00304 0.55146 1214. RY*( 2) H 86 0.00029 2.38728 1215. RY*( 3) H 86 0.00028 1.90359 1216. RY*( 4) H 86 0.00006 2.57033 1217. RY*( 5) H 86 0.00004 2.81290 1218. RY*( 1) C 87 0.00541 1.47210 1219. RY*( 2) C 87 0.00193 1.50995 1220. RY*( 3) C 87 0.00117 0.54498 1221. RY*( 4) C 87 0.00081 2.18429 1222. RY*( 5) C 87 0.00048 2.40230 1223. RY*( 6) C 87 0.00030 1.93127 1224. RY*( 7) C 87 0.00018 3.30438 1225. RY*( 8) C 87 0.00008 2.34513 1226. RY*( 9) C 87 0.00006 3.45626 1227. RY*( 10) C 87 0.00006 2.97328 1228. RY*( 11) C 87 0.00003 2.88111 1229. RY*( 12) C 87 0.00003 2.61563 1230. RY*( 13) C 87 0.00003 2.47049 1231. RY*( 14) C 87 0.00001 2.92189 1232. RY*( 15) C 87 0.00000 3.18208 1233. RY*( 16) C 87 0.00000 4.27204 1234. RY*( 17) C 87 0.00001 3.21898 1235. RY*( 18) C 87 0.00000 15.58973 1236. RY*( 1) H 88 0.00189 0.54446 1237. RY*( 2) H 88 0.00025 1.88292 1238. RY*( 3) H 88 0.00022 2.25410 1239. RY*( 4) H 88 0.00006 2.52960 1240. RY*( 5) H 88 0.00004 2.77450 1241. RY*( 1) C 89 0.00571 1.42479 1242. RY*( 2) C 89 0.00193 1.30392 1243. RY*( 3) C 89 0.00122 0.66101 1244. RY*( 4) C 89 0.00079 1.61392 1245. RY*( 5) C 89 0.00049 2.17987 1246. RY*( 6) C 89 0.00044 2.14426 1247. RY*( 7) C 89 0.00029 2.68903 1248. RY*( 8) C 89 0.00019 2.57142 1249. RY*( 9) C 89 0.00013 4.43797 1250. RY*( 10) C 89 0.00010 1.18877 1251. RY*( 11) C 89 0.00003 4.42942 1252. RY*( 12) C 89 0.00003 3.08754 1253. RY*( 13) C 89 0.00003 3.02954 1254. RY*( 14) C 89 0.00001 3.07501 1255. RY*( 15) C 89 0.00001 2.98724 1256. RY*( 16) C 89 0.00001 3.01500 1257. RY*( 17) C 89 0.00000 3.51490 1258. RY*( 18) C 89 0.00001 17.46039 1259. RY*( 1) H 90 0.00289 0.55364 1260. RY*( 2) H 90 0.00030 2.19398 1261. RY*( 3) H 90 0.00024 2.13200 1262. RY*( 4) H 90 0.00006 2.56831 1263. RY*( 5) H 90 0.00004 2.82052 1264. RY*( 1) C 91 0.00894 1.30459 1265. RY*( 2) C 91 0.00544 1.01496 1266. RY*( 3) C 91 0.00417 0.97185 1267. RY*( 4) C 91 0.00202 1.20763 1268. RY*( 5) C 91 0.00056 2.89285 1269. RY*( 6) C 91 0.00046 2.83172 1270. RY*( 7) C 91 0.00036 3.34134 1271. RY*( 8) C 91 0.00026 1.69759 1272. RY*( 9) C 91 0.00025 1.95986 1273. RY*( 10) C 91 0.00013 2.31836 1274. RY*( 11) C 91 0.00010 2.93636 1275. RY*( 12) C 91 0.00010 3.28952 1276. RY*( 13) C 91 0.00006 2.22309 1277. RY*( 14) C 91 0.00006 3.52066 1278. RY*( 15) C 91 0.00003 3.43267 1279. RY*( 16) C 91 0.00001 3.04345 1280. RY*( 17) C 91 0.00001 20.99071 1281. RY*( 18) C 91 0.00001 3.49402 1282. RY*( 1) C 92 0.00607 0.97438 1283. RY*( 2) C 92 0.00306 0.95409 1284. RY*( 3) C 92 0.00179 1.01790 1285. RY*( 4) C 92 0.00064 2.81334 1286. RY*( 5) C 92 0.00063 1.51296 1287. RY*( 6) C 92 0.00044 2.65306 1288. RY*( 7) C 92 0.00030 2.45921 1289. RY*( 8) C 92 0.00028 2.88249 1290. RY*( 9) C 92 0.00022 2.24027 1291. RY*( 10) C 92 0.00019 1.86591 1292. RY*( 11) C 92 0.00012 2.36075 1293. RY*( 12) C 92 0.00011 2.54678 1294. RY*( 13) C 92 0.00006 4.62347 1295. RY*( 14) C 92 0.00003 3.87429 1296. RY*( 15) C 92 0.00002 3.16874 1297. RY*( 16) C 92 0.00002 2.90509 1298. RY*( 17) C 92 0.00002 2.37971 1299. RY*( 18) C 92 0.00000 21.10474 1300. RY*( 1) H 93 0.00655 0.93262 1301. RY*( 2) H 93 0.00024 2.52822 1302. RY*( 3) H 93 0.00019 2.46633 1303. RY*( 4) H 93 0.00013 2.43803 1304. RY*( 5) H 93 0.00008 3.06613 1305. RY*( 1) C 94 0.00292 0.74732 1306. RY*( 2) C 94 0.00231 0.80950 1307. RY*( 3) C 94 0.00074 0.92785 1308. RY*( 4) C 94 0.00026 1.32157 1309. RY*( 5) C 94 0.00018 1.85104 1310. RY*( 6) C 94 0.00016 1.60208 1311. RY*( 7) C 94 0.00012 1.10094 1312. RY*( 8) C 94 0.00008 1.95712 1313. RY*( 9) C 94 0.00005 2.30449 1314. RY*( 10) C 94 0.00003 1.93073 1315. RY*( 11) C 94 0.00001 3.17680 1316. RY*( 12) C 94 0.00001 3.14113 1317. RY*( 13) C 94 0.00001 3.07935 1318. RY*( 14) C 94 0.00000 3.54111 1319. RY*( 15) C 94 0.00000 22.80397 1320. RY*( 16) C 94 0.00000 3.56415 1321. RY*( 17) C 94 0.00001 2.38672 1322. RY*( 18) C 94 0.00000 3.26849 1323. RY*( 1) H 95 0.00162 0.71419 1324. RY*( 2) H 95 0.00022 1.98443 1325. RY*( 3) H 95 0.00015 2.18498 1326. RY*( 4) H 95 0.00012 1.98786 1327. RY*( 5) H 95 0.00002 2.66853 1328. RY*( 1) H 96 0.00171 0.58211 1329. RY*( 2) H 96 0.00022 2.08902 1330. RY*( 3) H 96 0.00013 2.01283 1331. RY*( 4) H 96 0.00009 2.19322 1332. RY*( 5) H 96 0.00003 2.71850 1333. RY*( 1) H 97 0.00205 0.76178 1334. RY*( 2) H 97 0.00023 2.41354 1335. RY*( 3) H 97 0.00014 2.02468 1336. RY*( 4) H 97 0.00011 2.30189 1337. RY*( 5) H 97 0.00004 2.63544 1338. RY*( 1) C 98 0.00280 0.72502 1339. RY*( 2) C 98 0.00208 0.80229 1340. RY*( 3) C 98 0.00083 1.08108 1341. RY*( 4) C 98 0.00041 0.80426 1342. RY*( 5) C 98 0.00023 1.36112 1343. RY*( 6) C 98 0.00018 1.52398 1344. RY*( 7) C 98 0.00015 1.99996 1345. RY*( 8) C 98 0.00010 1.84246 1346. RY*( 9) C 98 0.00007 2.90148 1347. RY*( 10) C 98 0.00005 1.52741 1348. RY*( 11) C 98 0.00002 2.98907 1349. RY*( 12) C 98 0.00001 3.10900 1350. RY*( 13) C 98 0.00000 22.40588 1351. RY*( 14) C 98 0.00000 3.24534 1352. RY*( 15) C 98 0.00000 3.35032 1353. RY*( 16) C 98 0.00000 3.49776 1354. RY*( 17) C 98 0.00000 3.36740 1355. RY*( 18) C 98 0.00000 3.10830 1356. RY*( 1) H 99 0.00151 1.18767 1357. RY*( 2) H 99 0.00023 2.21495 1358. RY*( 3) H 99 0.00016 1.97326 1359. RY*( 4) H 99 0.00010 2.40283 1360. RY*( 5) H 99 0.00006 2.49077 1361. RY*( 1) H 100 0.00157 0.65638 1362. RY*( 2) H 100 0.00021 2.14612 1363. RY*( 3) H 100 0.00014 2.14597 1364. RY*( 4) H 100 0.00011 1.98737 1365. RY*( 5) H 100 0.00002 2.68440 1366. RY*( 1) H 101 0.00151 0.75214 1367. RY*( 2) H 101 0.00021 2.13883 1368. RY*( 3) H 101 0.00013 2.05045 1369. RY*( 4) H 101 0.00011 1.96506 1370. RY*( 5) H 101 0.00002 2.66704 1371. RY*( 1) C 102 0.00605 0.94377 1372. RY*( 2) C 102 0.00253 1.06621 1373. RY*( 3) C 102 0.00170 0.98405 1374. RY*( 4) C 102 0.00065 2.81861 1375. RY*( 5) C 102 0.00062 1.60385 1376. RY*( 6) C 102 0.00040 2.75703 1377. RY*( 7) C 102 0.00032 2.90199 1378. RY*( 8) C 102 0.00026 2.12185 1379. RY*( 9) C 102 0.00022 2.24082 1380. RY*( 10) C 102 0.00016 1.85770 1381. RY*( 11) C 102 0.00011 2.07967 1382. RY*( 12) C 102 0.00011 2.73017 1383. RY*( 13) C 102 0.00005 4.02137 1384. RY*( 14) C 102 0.00003 3.89886 1385. RY*( 15) C 102 0.00003 3.23351 1386. RY*( 16) C 102 0.00001 3.69487 1387. RY*( 17) C 102 0.00000 19.43538 1388. RY*( 18) C 102 0.00001 3.56443 1389. RY*( 1) H 103 0.00420 0.75374 1390. RY*( 2) H 103 0.00031 2.41697 1391. RY*( 3) H 103 0.00021 2.26120 1392. RY*( 4) H 103 0.00013 2.47553 1393. RY*( 5) H 103 0.00008 2.95177 1394. RY*( 1) C 104 0.00296 0.73535 1395. RY*( 2) C 104 0.00186 0.87334 1396. RY*( 3) C 104 0.00067 0.91765 1397. RY*( 4) C 104 0.00024 1.44177 1398. RY*( 5) C 104 0.00021 1.52092 1399. RY*( 6) C 104 0.00016 1.49845 1400. RY*( 7) C 104 0.00013 1.49721 1401. RY*( 8) C 104 0.00009 1.92630 1402. RY*( 9) C 104 0.00006 2.58853 1403. RY*( 10) C 104 0.00003 1.86946 1404. RY*( 11) C 104 0.00001 3.21912 1405. RY*( 12) C 104 0.00001 3.14835 1406. RY*( 13) C 104 0.00001 2.50398 1407. RY*( 14) C 104 0.00000 3.34242 1408. RY*( 15) C 104 0.00001 2.94607 1409. RY*( 16) C 104 0.00000 22.41322 1410. RY*( 17) C 104 0.00001 3.48793 1411. RY*( 18) C 104 0.00000 3.50271 1412. RY*( 1) H 105 0.00158 0.72301 1413. RY*( 2) H 105 0.00024 2.02219 1414. RY*( 3) H 105 0.00017 2.13684 1415. RY*( 4) H 105 0.00011 2.00005 1416. RY*( 5) H 105 0.00002 2.67588 1417. RY*( 1) H 106 0.00156 0.59692 1418. RY*( 2) H 106 0.00023 2.09447 1419. RY*( 3) H 106 0.00011 1.98276 1420. RY*( 4) H 106 0.00010 2.24762 1421. RY*( 5) H 106 0.00003 2.66848 1422. RY*( 1) H 107 0.00213 0.78715 1423. RY*( 2) H 107 0.00027 2.47336 1424. RY*( 3) H 107 0.00015 1.99599 1425. RY*( 4) H 107 0.00010 2.18063 1426. RY*( 5) H 107 0.00004 2.70832 1427. RY*( 1) C 108 0.00270 0.71297 1428. RY*( 2) C 108 0.00198 0.81160 1429. RY*( 3) C 108 0.00060 0.95032 1430. RY*( 4) C 108 0.00023 1.39771 1431. RY*( 5) C 108 0.00017 1.36046 1432. RY*( 6) C 108 0.00013 2.06175 1433. RY*( 7) C 108 0.00009 1.14188 1434. RY*( 8) C 108 0.00005 1.83884 1435. RY*( 9) C 108 0.00003 1.49064 1436. RY*( 10) C 108 0.00001 3.41144 1437. RY*( 11) C 108 0.00000 3.08868 1438. RY*( 12) C 108 0.00000 3.53979 1439. RY*( 13) C 108 0.00001 2.90141 1440. RY*( 14) C 108 0.00001 2.37733 1441. RY*( 15) C 108 0.00001 3.14254 1442. RY*( 16) C 108 0.00000 3.40113 1443. RY*( 17) C 108 0.00000 22.11677 1444. RY*( 18) C 108 0.00001 3.43164 1445. RY*( 1) H 109 0.00126 1.01494 1446. RY*( 2) H 109 0.00020 1.92047 1447. RY*( 3) H 109 0.00012 2.00426 1448. RY*( 4) H 109 0.00009 2.11182 1449. RY*( 5) H 109 0.00004 2.63286 1450. RY*( 1) H 110 0.00174 0.55923 1451. RY*( 2) H 110 0.00015 2.07251 1452. RY*( 3) H 110 0.00013 2.12222 1453. RY*( 4) H 110 0.00008 2.00912 1454. RY*( 5) H 110 0.00002 2.68470 1455. RY*( 1) H 111 0.00188 0.66380 1456. RY*( 2) H 111 0.00018 2.09568 1457. RY*( 3) H 111 0.00013 1.93575 1458. RY*( 4) H 111 0.00010 2.09945 1459. RY*( 5) H 111 0.00002 2.63557 1460. RY*( 1) C 112 0.00288 0.74288 1461. RY*( 2) C 112 0.00196 0.82224 1462. RY*( 3) C 112 0.00052 0.95123 1463. RY*( 4) C 112 0.00026 1.32618 1464. RY*( 5) C 112 0.00018 1.30355 1465. RY*( 6) C 112 0.00016 1.81742 1466. RY*( 7) C 112 0.00011 1.26189 1467. RY*( 8) C 112 0.00007 2.26162 1468. RY*( 9) C 112 0.00002 1.75233 1469. RY*( 10) C 112 0.00003 2.21823 1470. RY*( 11) C 112 0.00001 2.91078 1471. RY*( 12) C 112 0.00001 3.12483 1472. RY*( 13) C 112 0.00001 3.15636 1473. RY*( 14) C 112 0.00001 3.50549 1474. RY*( 15) C 112 0.00000 22.00177 1475. RY*( 16) C 112 0.00000 3.55011 1476. RY*( 17) C 112 0.00000 3.31183 1477. RY*( 18) C 112 0.00000 3.28412 1478. RY*( 1) H 113 0.00179 0.55563 1479. RY*( 2) H 113 0.00022 2.07293 1480. RY*( 3) H 113 0.00012 1.95646 1481. RY*( 4) H 113 0.00009 2.20674 1482. RY*( 5) H 113 0.00002 2.70106 1483. RY*( 1) H 114 0.00193 0.65661 1484. RY*( 2) H 114 0.00020 2.30771 1485. RY*( 3) H 114 0.00011 2.09450 1486. RY*( 4) H 114 0.00011 2.16893 1487. RY*( 5) H 114 0.00004 2.66639 1488. RY*( 1) H 115 0.00162 0.72591 1489. RY*( 2) H 115 0.00023 1.98866 1490. RY*( 3) H 115 0.00015 2.16965 1491. RY*( 4) H 115 0.00011 1.98255 1492. RY*( 5) H 115 0.00002 2.66049 1493. RY*( 1) C 116 0.00291 0.70560 1494. RY*( 2) C 116 0.00188 0.78907 1495. RY*( 3) C 116 0.00058 0.92153 1496. RY*( 4) C 116 0.00024 1.34631 1497. RY*( 5) C 116 0.00015 1.88828 1498. RY*( 6) C 116 0.00012 1.44241 1499. RY*( 7) C 116 0.00009 1.38009 1500. RY*( 8) C 116 0.00005 2.32997 1501. RY*( 9) C 116 0.00002 1.52333 1502. RY*( 10) C 116 0.00002 2.47268 1503. RY*( 11) C 116 0.00000 3.16566 1504. RY*( 12) C 116 0.00000 3.06752 1505. RY*( 13) C 116 0.00000 22.23624 1506. RY*( 14) C 116 0.00000 3.45398 1507. RY*( 15) C 116 0.00000 2.84369 1508. RY*( 16) C 116 0.00000 3.17741 1509. RY*( 17) C 116 0.00000 3.19890 1510. RY*( 18) C 116 0.00000 3.12035 1511. RY*( 1) H 117 0.00142 0.61137 1512. RY*( 2) H 117 0.00017 2.07492 1513. RY*( 3) H 117 0.00013 1.94910 1514. RY*( 4) H 117 0.00010 2.10649 1515. RY*( 5) H 117 0.00002 2.67149 1516. RY*( 1) H 118 0.00193 0.55098 1517. RY*( 2) H 118 0.00015 2.07912 1518. RY*( 3) H 118 0.00011 2.05532 1519. RY*( 4) H 118 0.00009 2.06225 1520. RY*( 5) H 118 0.00002 2.69859 1521. RY*( 1) H 119 0.00171 0.70612 1522. RY*( 2) H 119 0.00018 2.11364 1523. RY*( 3) H 119 0.00013 1.94338 1524. RY*( 4) H 119 0.00011 2.04457 1525. RY*( 5) H 119 0.00002 2.62764 1526. BD*( 1)As 1 -Ge 3 0.05240 0.06004 1527. BD*( 1)As 1 - C 4 0.06303 0.13033 1528. BD*( 1)As 1 - C 33 0.04949 0.09258 1529. BD*( 1)As 2 -Ge 3 0.05431 0.06679 1530. BD*( 1)As 2 - C 62 0.06443 0.13452 1531. BD*( 1)As 2 - C 83 0.05025 0.09677 1532. BD*( 1) C 4 - C 5 0.03067 0.52023 1533. BD*( 2) C 4 - C 5 0.37221 0.01955 1539(v),1544(v),1528(v) 1548(v),342(g),1547(v) 324(g),1526(v),360(v) 1534. BD*( 1) C 4 - C 12 0.02941 0.51539 1535. BD*( 1) C 5 - C 6 0.02861 0.51882 1536. BD*( 1) C 5 - C 13 0.03573 0.37399 1537. BD*( 1) C 6 - H 7 0.01761 0.40123 1538. BD*( 1) C 6 - C 8 0.01645 0.53497 1539. BD*( 2) C 6 - C 8 0.33290 0.01934 1533(v),1544(v),383(g) 360(g) 1540. BD*( 1) C 8 - H 9 0.01579 0.39556 1541. BD*( 1) C 8 - C 10 0.01665 0.53114 1542. BD*( 1) C 10 - H 11 0.01738 0.40489 1543. BD*( 1) C 10 - C 12 0.02840 0.52396 1544. BD*( 2) C 10 - C 12 0.33911 0.02309 1533(v),1539(v),1557(v) 406(g) 1545. BD*( 1) C 12 - C 23 0.03567 0.36965 1546. BD*( 1) C 13 - H 14 0.02505 0.40960 1547. BD*( 1) C 13 - C 15 0.01775 0.33132 1548. BD*( 1) C 13 - C 19 0.01974 0.32975 1549. BD*( 1) C 15 - H 16 0.01039 0.36506 1550. BD*( 1) C 15 - H 17 0.00711 0.37717 1551. BD*( 1) C 15 - H 18 0.00663 0.37421 1552. BD*( 1) C 19 - H 20 0.00731 0.39300 1553. BD*( 1) C 19 - H 21 0.00788 0.37068 1554. BD*( 1) C 19 - H 22 0.01079 0.36662 1555. BD*( 1) C 23 - H 24 0.02378 0.40378 1556. BD*( 1) C 23 - C 25 0.01578 0.33258 1557. BD*( 1) C 23 - C 29 0.01890 0.32586 1558. BD*( 1) C 25 - H 26 0.01044 0.35998 1559. BD*( 1) C 25 - H 27 0.00655 0.36677 1560. BD*( 1) C 25 - H 28 0.00736 0.37421 1561. BD*( 1) C 29 - H 30 0.00715 0.38519 1562. BD*( 1) C 29 - H 31 0.00763 0.36587 1563. BD*( 1) C 29 - H 32 0.00984 0.36610 1564. BD*( 1) C 33 - C 34 0.03436 0.48981 1565. BD*( 2) C 33 - C 34 0.42038 -0.00353 1571(v),1576(v),228(r) 643(g),1579(v),1580(v) 661(v),625(g),1529(r) 1527(v) 1566. BD*( 1) C 33 - C 41 0.03105 0.49156 1567. BD*( 1) C 34 - C 35 0.03003 0.50535 1568. BD*( 1) C 34 - C 42 0.03588 0.36749 1569. BD*( 1) C 35 - H 36 0.01780 0.39292 1570. BD*( 1) C 35 - C 37 0.01664 0.52704 1571. BD*( 2) C 35 - C 37 0.31911 0.00892 1576(v),1565(v),684(g) 661(g) 1572. BD*( 1) C 37 - H 38 0.01579 0.38760 1573. BD*( 1) C 37 - C 39 0.01681 0.51722 1574. BD*( 1) C 39 - H 40 0.01762 0.39651 1575. BD*( 1) C 39 - C 41 0.02955 0.51681 1576. BD*( 2) C 39 - C 41 0.31471 0.01329 1571(v),1565(v),707(g) 1589(v),1588(v) 1577. BD*( 1) C 41 - C 52 0.03589 0.36877 1578. BD*( 1) C 42 - H 43 0.02305 0.42347 1579. BD*( 1) C 42 - C 44 0.02111 0.33052 1580. BD*( 1) C 42 - C 48 0.01770 0.32675 1581. BD*( 1) C 44 - H 45 0.00920 0.36150 1582. BD*( 1) C 44 - H 46 0.00702 0.36847 1583. BD*( 1) C 44 - H 47 0.00821 0.39703 1584. BD*( 1) C 48 - H 49 0.00819 0.39331 1585. BD*( 1) C 48 - H 50 0.00702 0.36626 1586. BD*( 1) C 48 - H 51 0.01031 0.36493 1587. BD*( 1) C 52 - H 53 0.02649 0.40831 1588. BD*( 1) C 52 - C 54 0.01781 0.33203 1589. BD*( 1) C 52 - C 58 0.01938 0.32795 1590. BD*( 1) C 54 - H 55 0.01071 0.36201 1591. BD*( 1) C 54 - H 56 0.00661 0.36694 1592. BD*( 1) C 54 - H 57 0.00701 0.38415 1593. BD*( 1) C 58 - H 59 0.00677 0.38368 1594. BD*( 1) C 58 - H 60 0.00745 0.36370 1595. BD*( 1) C 58 - H 61 0.00893 0.36033 1596. BD*( 1) C 62 - C 63 0.03097 0.52156 1597. BD*( 2) C 62 - C 63 0.37865 0.02080 1608(v),1603(v),1531(v) 1612(v),944(g),1611(v) 926(g),962(v),1529(v) 1598. BD*( 1) C 62 - C 70 0.02970 0.52091 1599. BD*( 1) C 63 - C 64 0.02854 0.52118 1600. BD*( 1) C 63 - C 71 0.03573 0.37448 1601. BD*( 1) C 64 - H 65 0.01747 0.40040 1602. BD*( 1) C 64 - C 66 0.01637 0.53087 1603. BD*( 2) C 64 - C 66 0.34106 0.01891 1597(v),1608(v),985(g) 962(g) 1604. BD*( 1) C 66 - H 67 0.01579 0.39581 1605. BD*( 1) C 66 - C 68 0.01653 0.53225 1606. BD*( 1) C 68 - H 69 0.01758 0.40078 1607. BD*( 1) C 68 - C 70 0.02889 0.52108 1608. BD*( 2) C 68 - C 70 0.34472 0.02223 1597(v),1603(v),1008(g) 1620(v),1621(v) 1609. BD*( 1) C 70 - C 81 0.03578 0.37262 1610. BD*( 1) C 71 - H 72 0.02482 0.40970 1611. BD*( 1) C 71 - C 73 0.01797 0.33066 1612. BD*( 1) C 71 - C 77 0.01976 0.32958 1613. BD*( 1) C 73 - H 74 0.01032 0.36455 1614. BD*( 1) C 73 - H 75 0.00717 0.37477 1615. BD*( 1) C 73 - H 76 0.00668 0.37264 1616. BD*( 1) C 77 - H 78 0.00717 0.39264 1617. BD*( 1) C 77 - H 79 0.00778 0.36926 1618. BD*( 1) C 77 - H 80 0.01060 0.36600 1619. BD*( 1) C 81 - H 82 0.02585 0.40750 1620. BD*( 1) C 81 - C 112 0.01845 0.33464 1621. BD*( 1) C 81 - C 116 0.01852 0.33099 1622. BD*( 1) C 83 - C 84 0.03382 0.49660 1623. BD*( 2) C 83 - C 84 0.40542 0.00284 1629(v),1634(v),228(r) 1179(g),1637(v),1638(v) 1160(g),1530(v),1197(v) 1526(r) 1624. BD*( 1) C 83 - C 91 0.03103 0.49835 1625. BD*( 1) C 84 - C 85 0.02977 0.50840 1626. BD*( 1) C 84 - C 92 0.03631 0.36824 1627. BD*( 1) C 85 - H 86 0.01781 0.39576 1628. BD*( 1) C 85 - C 87 0.01668 0.52903 1629. BD*( 2) C 85 - C 87 0.32427 0.01095 1634(v),1623(v),1220(g) 1197(g) 1630. BD*( 1) C 87 - H 88 0.01584 0.38980 1631. BD*( 1) C 87 - C 89 0.01678 0.52032 1632. BD*( 1) C 89 - H 90 0.01767 0.39697 1633. BD*( 1) C 89 - C 91 0.02962 0.51880 1634. BD*( 2) C 89 - C 91 0.31994 0.01577 1629(v),1623(v),1243(g) 1647(v),1646(v) 1635. BD*( 1) C 91 - C 102 0.03579 0.36994 1636. BD*( 1) C 92 - H 93 0.02314 0.42552 1637. BD*( 1) C 92 - C 94 0.02078 0.33305 1638. BD*( 1) C 92 - C 98 0.01785 0.32707 1639. BD*( 1) C 94 - H 95 0.00912 0.36365 1640. BD*( 1) C 94 - H 96 0.00727 0.36988 1641. BD*( 1) C 94 - H 97 0.00789 0.40304 1642. BD*( 1) C 98 - H 99 0.00864 0.39570 1643. BD*( 1) C 98 - H 100 0.00719 0.36717 1644. BD*( 1) C 98 - H 101 0.01038 0.36629 1645. BD*( 1) C 102 - H 103 0.02655 0.40878 1646. BD*( 1) C 102 - C 104 0.01806 0.33198 1647. BD*( 1) C 102 - C 108 0.01921 0.32862 1648. BD*( 1) C 104 - H 105 0.01068 0.36316 1649. BD*( 1) C 104 - H 106 0.00676 0.36643 1650. BD*( 1) C 104 - H 107 0.00714 0.38720 1651. BD*( 1) C 108 - H 109 0.00701 0.37973 1652. BD*( 1) C 108 - H 110 0.00746 0.36421 1653. BD*( 1) C 108 - H 111 0.00889 0.36094 1654. BD*( 1) C 112 - H 113 0.00763 0.36796 1655. BD*( 1) C 112 - H 114 0.00694 0.38992 1656. BD*( 1) C 112 - H 115 0.00961 0.36414 1657. BD*( 1) C 116 - H 117 0.00647 0.37265 1658. BD*( 1) C 116 - H 118 0.00717 0.36605 1659. BD*( 1) C 116 - H 119 0.00936 0.36506 ------------------------------- Total Lewis 446.37300 ( 98.3200%) Valence non-Lewis 6.75286 ( 1.4874%) Rydberg non-Lewis 0.87415 ( 0.1925%) ------------------------------- Total unit 1 454.00000 (100.0000%) Charge unit 1 0.00000 Leave Link 607 at Sat Mar 11 14:16:39 2017, MaxMem= 2147483648 cpu: 203.0 (Enter /share/apps/Gaussian/g09/l607.exe) Deletion of the following NBO Fock matrix elements: ( 3,228) ( 6,228) ( Occupations of bond orbitals: Orbital No deletions This deletion Change ------------------------------------------------------------------------------ 1. BD ( 1)As 1Ge 3 1.88857 1.87512 -0.01345 2. BD ( 1)As 1 C 4 1.95283 1.95228 -0.00055 3. BD ( 1)As 1 C 33 1.91808 1.91778 -0.00030 4. BD ( 1)As 2Ge 3 1.89460 1.88384 -0.01077 5. BD ( 1)As 2 C 62 1.95338 1.95284 -0.00054 6. BD ( 1)As 2 C 83 1.91883 1.92492 0.00610 7. BD ( 1) C 4 C 5 1.96970 1.96972 0.00003 8. BD ( 2) C 4 C 5 1.66202 1.66237 0.00035 9. BD ( 1) C 4 C 12 1.96792 1.96791 -0.00001 10. BD ( 1) C 5 C 6 1.96563 1.96560 -0.00003 11. BD ( 1) C 5 C 13 1.96614 1.96613 -0.00001 12. BD ( 1) C 6 H 7 1.97669 1.97664 -0.00004 13. BD ( 1) C 6 C 8 1.97697 1.97696 -0.00001 14. BD ( 2) C 6 C 8 1.67340 1.67341 0.00001 15. BD ( 1) C 8 H 9 1.97912 1.97912 0.00000 16. BD ( 1) C 8 C 10 1.97637 1.97637 0.00000 17. BD ( 1) C 10 H 11 1.97603 1.97600 -0.00003 18. BD ( 1) C 10 C 12 1.96695 1.96691 -0.00003 19. BD ( 2) C 10 C 12 1.66063 1.66044 -0.00019 20. BD ( 1) C 12 C 23 1.96685 1.96685 0.00000 21. BD ( 1) C 13 H 14 1.95331 1.95091 -0.00240 22. BD ( 1) C 13 C 15 1.97233 1.97219 -0.00014 23. BD ( 1) C 13 C 19 1.96867 1.96865 -0.00002 24. BD ( 1) C 15 H 16 1.98790 1.98769 -0.00021 25. BD ( 1) C 15 H 17 1.98484 1.98484 0.00000 26. BD ( 1) C 15 H 18 1.98725 1.98724 -0.00001 27. BD ( 1) C 19 H 20 1.97445 1.97425 -0.00020 28. BD ( 1) C 19 H 21 1.98364 1.98393 0.00029 29. BD ( 1) C 19 H 22 1.98732 1.98732 0.00000 30. BD ( 1) C 23 H 24 1.95676 1.95645 -0.00031 31. BD ( 1) C 23 C 25 1.97763 1.97759 -0.00004 32. BD ( 1) C 23 C 29 1.96483 1.96488 0.00005 33. BD ( 1) C 25 H 26 1.98836 1.98833 -0.00003 34. BD ( 1) C 25 H 27 1.98601 1.98601 0.00000 35. BD ( 1) C 25 H 28 1.98685 1.98685 0.00000 36. BD ( 1) C 29 H 30 1.98514 1.98514 -0.00001 37. BD ( 1) C 29 H 31 1.98512 1.98511 0.00000 38. BD ( 1) C 29 H 32 1.98839 1.98834 -0.00005 39. BD ( 1) C 33 C 34 1.96675 1.96130 -0.00545 40. BD ( 2) C 33 C 34 1.65046 1.65072 0.00026 41. BD ( 1) C 33 C 41 1.96616 1.96097 -0.00519 42. BD ( 1) C 34 C 35 1.96380 1.96575 0.00195 43. BD ( 1) C 34 C 42 1.96505 1.96359 -0.00146 44. BD ( 1) C 35 H 36 1.97571 1.97513 -0.00058 45. BD ( 1) C 35 C 37 1.97709 1.97708 -0.00001 46. BD ( 2) C 35 C 37 1.66954 1.66941 -0.00013 47. BD ( 1) C 37 H 38 1.97904 1.97908 0.00004 48. BD ( 1) C 37 C 39 1.97644 1.97644 0.00000 49. BD ( 1) C 39 H 40 1.97615 1.97594 -0.00021 50. BD ( 1) C 39 C 41 1.96616 1.96705 0.00089 51. BD ( 2) C 39 C 41 1.65701 1.65715 0.00014 52. BD ( 1) C 41 C 52 1.96546 1.96444 -0.00102 53. BD ( 1) C 42 H 43 1.95318 1.95329 0.00011 54. BD ( 1) C 42 C 44 1.96609 1.96637 0.00028 55. BD ( 1) C 42 C 48 1.97093 1.97087 -0.00006 56. BD ( 1) C 44 H 45 1.98717 1.98717 0.00000 57. BD ( 1) C 44 H 46 1.98500 1.98513 0.00013 58. BD ( 1) C 44 H 47 1.98500 1.98500 0.00000 59. BD ( 1) C 48 H 49 1.97519 1.97575 0.00056 60. BD ( 1) C 48 H 50 1.98499 1.98494 -0.00005 61. BD ( 1) C 48 H 51 1.98813 1.98812 -0.00002 62. BD ( 1) C 52 H 53 1.95187 1.95174 -0.00012 63. BD ( 1) C 52 C 54 1.97505 1.97506 0.00001 64. BD ( 1) C 52 C 58 1.96451 1.96497 0.00046 65. BD ( 1) C 54 H 55 1.98764 1.98764 0.00000 66. BD ( 1) C 54 H 56 1.98529 1.98519 -0.00010 67. BD ( 1) C 54 H 57 1.98343 1.98328 -0.00015 68. BD ( 1) C 58 H 59 1.98535 1.98534 -0.00001 69. BD ( 1) C 58 H 60 1.98506 1.98523 0.00017 70. BD ( 1) C 58 H 61 1.98812 1.98810 -0.00002 71. BD ( 1) C 62 C 63 1.96934 1.96938 0.00004 72. BD ( 2) C 62 C 63 1.65253 1.65257 0.00004 73. BD ( 1) C 62 C 70 1.96861 1.96858 -0.00003 74. BD ( 1) C 63 C 64 1.96581 1.96577 -0.00004 75. BD ( 1) C 63 C 71 1.96594 1.96594 0.00000 76. BD ( 1) C 64 H 65 1.97673 1.97669 -0.00004 77. BD ( 1) C 64 C 66 1.97663 1.97662 -0.00001 78. BD ( 2) C 64 C 66 1.66669 1.66664 -0.00005 79. BD ( 1) C 66 H 67 1.97919 1.97918 -0.00001 80. BD ( 1) C 66 C 68 1.97637 1.97637 0.00000 81. BD ( 1) C 68 H 69 1.97651 1.97649 -0.00003 82. BD ( 1) C 68 C 70 1.96630 1.96626 -0.00003 83. BD ( 2) C 68 C 70 1.65274 1.65244 -0.00030 84. BD ( 1) C 70 C 81 1.96564 1.96564 0.00000 85. BD ( 1) C 71 H 72 1.95327 1.95112 -0.00215 86. BD ( 1) C 71 C 73 1.97155 1.97142 -0.00013 87. BD ( 1) C 71 C 77 1.96964 1.96964 0.00000 88. BD ( 1) C 73 H 74 1.98775 1.98757 -0.00019 89. BD ( 1) C 73 H 75 1.98466 1.98465 0.00000 90. BD ( 1) C 73 H 76 1.98711 1.98710 -0.00001 91. BD ( 1) C 77 H 78 1.97572 1.97556 -0.00016 92. BD ( 1) C 77 H 79 1.98385 1.98410 0.00025 93. BD ( 1) C 77 H 80 1.98748 1.98747 -0.00001 94. BD ( 1) C 81 H 82 1.95749 1.95745 -0.00005 95. BD ( 1) C 81 C 112 1.97184 1.97181 -0.00003 96. BD ( 1) C 81 C 116 1.96923 1.96923 0.00000 97. BD ( 1) C 83 C 84 1.96773 1.96314 -0.00459 98. BD ( 2) C 83 C 84 1.64627 1.64738 0.00111 99. BD ( 1) C 83 C 91 1.96671 1.96256 -0.00415 100. BD ( 1) C 84 C 85 1.96385 1.96572 0.00187 101. BD ( 1) C 84 C 92 1.96535 1.96410 -0.00125 102. BD ( 1) C 85 H 86 1.97582 1.97537 -0.00045 103. BD ( 1) C 85 C 87 1.97694 1.97693 -0.00001 104. BD ( 2) C 85 C 87 1.67026 1.67041 0.00015 105. BD ( 1) C 87 H 88 1.97907 1.97911 0.00004 106. BD ( 1) C 87 C 89 1.97643 1.97642 -0.00001 107. BD ( 1) C 89 H 90 1.97643 1.97634 -0.00009 108. BD ( 1) C 89 C 91 1.96623 1.96701 0.00079 109. BD ( 2) C 89 C 91 1.65584 1.65619 0.00035 110. BD ( 1) C 91 C 102 1.96545 1.96471 -0.00074 111. BD ( 1) C 92 H 93 1.95350 1.95379 0.00029 112. BD ( 1) C 92 C 94 1.96768 1.96793 0.00025 113. BD ( 1) C 92 C 98 1.96999 1.96995 -0.00004 114. BD ( 1) C 94 H 95 1.98729 1.98731 0.00002 115. BD ( 1) C 94 H 96 1.98512 1.98521 0.00009 116. BD ( 1) C 94 H 97 1.98630 1.98628 -0.00002 117. BD ( 1) C 98 H 99 1.97473 1.97542 0.00069 118. BD ( 1) C 98 H 100 1.98463 1.98461 -0.00002 119. BD ( 1) C 98 H 101 1.98793 1.98792 -0.00001 120. BD ( 1) C 102 H 103 1.95279 1.95262 -0.00017 121. BD ( 1) C 102 C 104 1.97390 1.97389 -0.00001 122. BD ( 1) C 102 C 108 1.96625 1.96661 0.00035 123. BD ( 1) C 104 H 105 1.98757 1.98757 0.00000 124. BD ( 1) C 104 H 106 1.98514 1.98505 -0.00009 125. BD ( 1) C 104 H 107 1.98321 1.98307 -0.00015 126. BD ( 1) C 108 H 109 1.98543 1.98544 0.00001 127. BD ( 1) C 108 H 110 1.98541 1.98556 0.00015 128. BD ( 1) C 108 H 111 1.98789 1.98788 -0.00001 129. BD ( 1) C 112 H 113 1.98592 1.98594 0.00001 130. BD ( 1) C 112 H 114 1.98588 1.98590 0.00002 131. BD ( 1) C 112 H 115 1.98764 1.98767 0.00003 132. BD ( 1) C 116 H 117 1.98740 1.98739 0.00000 133. BD ( 1) C 116 H 118 1.98574 1.98575 0.00000 134. BD ( 1) C 116 H 119 1.98772 1.98769 -0.00003 135. CR ( 1)As 1 2.00000 2.00000 0.00000 136. CR ( 2)As 1 2.00000 2.00000 0.00000 137. CR ( 3)As 1 1.99830 1.99808 -0.00021 138. CR ( 4)As 1 2.00000 2.00000 0.00000 139. CR ( 5)As 1 1.99974 1.99974 0.00000 140. CR ( 6)As 1 2.00000 2.00000 0.00000 141. CR ( 7)As 1 1.99976 1.99955 -0.00021 142. CR ( 8)As 1 2.00000 2.00000 0.00000 143. CR ( 9)As 1 1.99983 1.99981 -0.00002 144. CR (10)As 1 1.99952 1.99951 0.00000 145. CR (11)As 1 1.99968 1.99968 0.00000 146. CR (12)As 1 1.99962 1.99961 0.00000 147. CR (13)As 1 1.99941 1.99941 0.00000 148. CR (14)As 1 1.99972 1.99972 0.00000 149. CR ( 1)As 2 2.00000 2.00000 0.00000 150. CR ( 2)As 2 2.00000 2.00000 0.00000 151. CR ( 3)As 2 1.99829 1.99810 -0.00019 152. CR ( 4)As 2 2.00000 2.00000 0.00000 153. CR ( 5)As 2 1.99973 1.99973 0.00000 154. CR ( 6)As 2 2.00000 2.00000 0.00000 155. CR ( 7)As 2 1.99977 1.99958 -0.00019 156. CR ( 8)As 2 2.00000 2.00000 0.00000 157. CR ( 9)As 2 1.99982 1.99980 -0.00002 158. CR (10)As 2 1.99952 1.99951 0.00000 159. CR (11)As 2 1.99967 1.99967 0.00000 160. CR (12)As 2 1.99961 1.99961 0.00000 161. CR (13)As 2 1.99939 1.99939 0.00000 162. CR (14)As 2 1.99971 1.99972 0.00000 163. CR ( 1)Ge 3 2.00000 2.00000 0.00000 164. CR ( 2)Ge 3 2.00000 2.00000 0.00000 165. CR ( 3)Ge 3 1.99951 1.99951 0.00000 166. CR ( 4)Ge 3 2.00000 2.00000 0.00000 167. CR ( 5)Ge 3 1.99991 1.99990 -0.00001 168. CR ( 6)Ge 3 2.00000 2.00000 0.00000 169. CR ( 7)Ge 3 1.99983 1.99975 -0.00008 170. CR ( 8)Ge 3 2.00000 2.00000 0.00000 171. CR ( 9)Ge 3 1.99990 1.99990 0.00000 172. CR (10)Ge 3 1.99970 1.99970 0.00000 173. CR (11)Ge 3 1.99957 1.99957 0.00001 174. CR (12)Ge 3 1.99982 1.99981 -0.00001 175. CR (13)Ge 3 1.99978 1.99978 0.00000 176. CR (14)Ge 3 1.99977 1.99977 0.00000 177. CR ( 1) C 4 1.99872 1.99872 0.00000 178. CR ( 1) C 5 1.99882 1.99882 0.00000 179. CR ( 1) C 6 1.99897 1.99897 0.00000 180. CR ( 1) C 8 1.99906 1.99906 0.00000 181. CR ( 1) C 10 1.99895 1.99895 0.00000 182. CR ( 1) C 12 1.99882 1.99882 0.00000 183. CR ( 1) C 13 1.99912 1.99912 0.00000 184. CR ( 1) C 15 1.99926 1.99926 0.00000 185. CR ( 1) C 19 1.99928 1.99928 0.00000 186. CR ( 1) C 23 1.99910 1.99910 0.00000 187. CR ( 1) C 25 1.99928 1.99927 0.00000 188. CR ( 1) C 29 1.99926 1.99926 0.00000 189. CR ( 1) C 33 1.99865 1.99832 -0.00033 190. CR ( 1) C 34 1.99872 1.99877 0.00006 191. CR ( 1) C 35 1.99894 1.99894 0.00000 192. CR ( 1) C 37 1.99906 1.99906 0.00000 193. CR ( 1) C 39 1.99894 1.99894 0.00000 194. CR ( 1) C 41 1.99877 1.99879 0.00002 195. CR ( 1) C 42 1.99907 1.99908 0.00001 196. CR ( 1) C 44 1.99924 1.99924 0.00000 197. CR ( 1) C 48 1.99929 1.99929 0.00000 198. CR ( 1) C 52 1.99910 1.99910 0.00000 199. CR ( 1) C 54 1.99926 1.99926 0.00000 200. CR ( 1) C 58 1.99925 1.99925 0.00000 201. CR ( 1) C 62 1.99871 1.99871 0.00000 202. CR ( 1) C 63 1.99882 1.99882 0.00000 203. CR ( 1) C 64 1.99897 1.99897 0.00000 204. CR ( 1) C 66 1.99906 1.99906 0.00000 205. CR ( 1) C 68 1.99896 1.99896 0.00000 206. CR ( 1) C 70 1.99882 1.99882 0.00000 207. CR ( 1) C 71 1.99912 1.99912 0.00000 208. CR ( 1) C 73 1.99926 1.99926 0.00000 209. CR ( 1) C 77 1.99929 1.99929 0.00000 210. CR ( 1) C 81 1.99909 1.99909 0.00000 211. CR ( 1) C 83 1.99865 1.99838 -0.00027 212. CR ( 1) C 84 1.99874 1.99879 0.00005 213. CR ( 1) C 85 1.99895 1.99894 0.00000 214. CR ( 1) C 87 1.99905 1.99905 0.00000 215. CR ( 1) C 89 1.99894 1.99894 0.00000 216. CR ( 1) C 91 1.99878 1.99879 0.00001 217. CR ( 1) C 92 1.99908 1.99908 0.00000 218. CR ( 1) C 94 1.99924 1.99924 0.00000 219. CR ( 1) C 98 1.99929 1.99929 0.00000 220. CR ( 1) C 102 1.99910 1.99910 0.00000 221. CR ( 1) C 104 1.99926 1.99926 0.00000 222. CR ( 1) C 108 1.99925 1.99925 0.00000 223. CR ( 1) C 112 1.99925 1.99925 0.00000 224. CR ( 1) C 116 1.99926 1.99926 0.00000 225. LP ( 1)As 1 1.92024 1.91617 -0.00406 226. LP ( 1)As 2 1.91910 1.91700 -0.00210 227. LP ( 1)Ge 3 1.96857 1.96856 -0.00001 228. LP*( 2)Ge 3 0.20885 0.23686 0.02801 229. RY*( 1)As 1 0.00402 0.00386 -0.00016 230. RY*( 2)As 1 0.00263 0.00262 -0.00001 231. RY*( 3)As 1 0.00222 0.00223 0.00000 232. RY*( 4)As 1 0.00159 0.00161 0.00002 233. RY*( 5)As 1 0.00139 0.00139 0.00000 234. RY*( 6)As 1 0.00117 0.00116 -0.00001 235. RY*( 7)As 1 0.00107 0.00109 0.00002 236. RY*( 8)As 1 0.00077 0.00083 0.00006 237. RY*( 9)As 1 0.00057 0.00056 -0.00001 238. RY*(10)As 1 0.00042 0.00043 0.00000 239. RY*(11)As 1 0.00031 0.00031 0.00000 240. RY*(12)As 1 0.00026 0.00026 0.00001 241. RY*(13)As 1 0.00018 0.00019 0.00000 242. RY*(14)As 1 0.00012 0.00012 0.00000 243. RY*(15)As 1 0.00004 0.00004 0.00000 244. RY*(16)As 1 0.00003 0.00003 0.00000 245. RY*(17)As 1 0.00003 0.00003 0.00000 246. RY*(18)As 1 0.00001 0.00001 0.00000 247. RY*(19)As 1 0.00000 0.00000 0.00000 248. RY*(20)As 1 0.00000 0.00000 0.00000 249. RY*(21)As 1 0.00001 0.00001 0.00000 250. RY*(22)As 1 0.00000 0.00001 0.00000 251. RY*(23)As 1 0.00000 0.00000 0.00000 252. RY*(24)As 1 0.00000 0.00000 0.00000 253. RY*(25)As 1 0.00000 0.00001 0.00000 254. RY*(26)As 1 0.00001 0.00001 0.00000 255. RY*(27)As 1 0.00001 0.00001 0.00000 256. RY*(28)As 1 0.00001 0.00001 0.00000 257. RY*(29)As 1 0.00000 0.00000 0.00000 258. RY*(30)As 1 0.00000 0.00000 0.00000 259. RY*(31)As 1 0.00000 0.00000 0.00000 260. RY*( 1)As 2 0.00404 0.00385 -0.00018 261. RY*( 2)As 2 0.00254 0.00253 -0.00001 262. RY*( 3)As 2 0.00211 0.00212 0.00001 263. RY*( 4)As 2 0.00173 0.00176 0.00002 264. RY*( 5)As 2 0.00147 0.00149 0.00002 265. RY*( 6)As 2 0.00126 0.00124 -0.00002 266. RY*( 7)As 2 0.00111 0.00113 0.00002 267. RY*( 8)As 2 0.00073 0.00081 0.00008 268. RY*( 9)As 2 0.00070 0.00074 0.00004 269. RY*(10)As 2 0.00046 0.00046 0.00000 270. RY*(11)As 2 0.00034 0.00034 0.00000 271. RY*(12)As 2 0.00030 0.00032 0.00002 272. RY*(13)As 2 0.00018 0.00019 0.00001 273. RY*(14)As 2 0.00012 0.00012 0.00000 274. RY*(15)As 2 0.00005 0.00005 0.00000 275. RY*(16)As 2 0.00003 0.00003 0.00000 276. RY*(17)As 2 0.00004 0.00004 0.00000 277. RY*(18)As 2 0.00002 0.00002 0.00000 278. RY*(19)As 2 0.00000 0.00000 0.00000 279. RY*(20)As 2 0.00000 0.00001 0.00000 280. RY*(21)As 2 0.00000 0.00000 0.00000 281. RY*(22)As 2 0.00000 0.00001 0.00000 282. RY*(23)As 2 0.00001 0.00001 0.00000 283. RY*(24)As 2 0.00000 0.00000 0.00000 284. RY*(25)As 2 0.00000 0.00001 0.00000 285. RY*(26)As 2 0.00001 0.00001 0.00000 286. RY*(27)As 2 0.00000 0.00000 0.00000 287. RY*(28)As 2 0.00001 0.00001 0.00000 288. RY*(29)As 2 0.00000 0.00000 0.00000 289. RY*(30)As 2 0.00000 0.00000 0.00000 290. RY*(31)As 2 0.00000 0.00000 0.00000 291. RY*( 1)Ge 3 0.02870 0.02870 0.00000 292. RY*( 2)Ge 3 0.01471 0.01607 0.00136 293. RY*( 3)Ge 3 0.00625 0.00839 0.00214 294. RY*( 4)Ge 3 0.00407 0.00407 0.00000 295. RY*( 5)Ge 3 0.00120 0.00130 0.00010 296. RY*( 6)Ge 3 0.00113 0.00113 -0.00001 297. RY*( 7)Ge 3 0.00074 0.00134 0.00061 298. RY*( 8)Ge 3 0.00069 0.00085 0.00016 299. RY*( 9)Ge 3 0.00059 0.00119 0.00060 300. RY*(10)Ge 3 0.00040 0.00046 0.00006 301. RY*(11)Ge 3 0.00036 0.00038 0.00002 302. RY*(12)Ge 3 0.00026 0.00027 0.00000 303. RY*(13)Ge 3 0.00023 0.00023 0.00000 304. RY*(14)Ge 3 0.00017 0.00018 0.00001 305. RY*(15)Ge 3 0.00010 0.00012 0.00001 306. RY*(16)Ge 3 0.00011 0.00011 0.00000 307. RY*(17)Ge 3 0.00005 0.00012 0.00007 308. RY*(18)Ge 3 0.00001 0.00001 0.00000 309. RY*(19)Ge 3 0.00001 0.00001 0.00000 310. RY*(20)Ge 3 0.00001 0.00001 0.00000 311. RY*(21)Ge 3 0.00000 0.00001 0.00000 312. RY*(22)Ge 3 0.00000 0.00000 0.00000 313. RY*(23)Ge 3 0.00000 0.00000 0.00000 314. RY*(24)Ge 3 0.00001 0.00001 0.00000 315. RY*(25)Ge 3 0.00000 0.00001 0.00000 316. RY*(26)Ge 3 0.00000 0.00000 0.00000 317. RY*(27)Ge 3 0.00001 0.00001 0.00000 318. RY*(28)Ge 3 0.00001 0.00001 0.00000 319. RY*(29)Ge 3 0.00000 0.00000 0.00000 320. RY*(30)Ge 3 0.00000 0.00000 0.00000 321. RY*(31)Ge 3 0.00001 0.00001 0.00000 322. RY*( 1) C 4 0.00755 0.00742 -0.00014 323. RY*( 2) C 4 0.00280 0.00279 0.00000 324. RY*( 3) C 4 0.00240 0.00237 -0.00003 325. RY*( 4) C 4 0.00088 0.00087 -0.00001 326. RY*( 5) C 4 0.00063 0.00063 0.00000 327. RY*( 6) C 4 0.00052 0.00052 0.00000 328. RY*( 7) C 4 0.00037 0.00037 0.00000 329. RY*( 8) C 4 0.00030 0.00030 0.00001 330. RY*( 9) C 4 0.00021 0.00021 0.00000 331. RY*(10) C 4 0.00012 0.00012 0.00000 332. RY*(11) C 4 0.00009 0.00009 0.00000 333. RY*(12) C 4 0.00007 0.00007 0.00000 334. RY*(13) C 4 0.00005 0.00005 0.00000 335. RY*(14) C 4 0.00004 0.00004 0.00000 336. RY*(15) C 4 0.00004 0.00004 0.00000 337. RY*(16) C 4 0.00002 0.00002 0.00000 338. RY*(17) C 4 0.00001 0.00001 0.00000 339. RY*(18) C 4 0.00001 0.00001 0.00000 340. RY*( 1) C 5 0.00723 0.00722 -0.00001 341. RY*( 2) C 5 0.00431 0.00431 0.00000 342. RY*( 3) C 5 0.00369 0.00368 0.00000 343. RY*( 4) C 5 0.00197 0.00195 -0.00002 344. RY*( 5) C 5 0.00064 0.00064 0.00000 345. RY*( 6) C 5 0.00052 0.00052 0.00000 346. RY*( 7) C 5 0.00044 0.00043 0.00000 347. RY*( 8) C 5 0.00026 0.00026 0.00000 348. RY*( 9) C 5 0.00022 0.00022 0.00000 349. RY*(10) C 5 0.00011 0.00011 0.00000 350. RY*(11) C 5 0.00012 0.00012 0.00000 351. RY*(12) C 5 0.00006 0.00006 0.00000 352. RY*(13) C 5 0.00005 0.00005 0.00000 353. RY*(14) C 5 0.00006 0.00006 0.00000 354. RY*(15) C 5 0.00003 0.00003 0.00000 355. RY*(16) C 5 0.00001 0.00001 0.00000 356. RY*(17) C 5 0.00001 0.00001 0.00000 357. RY*(18) C 5 0.00001 0.00001 0.00000 358. RY*( 1) C 6 0.00547 0.00547 0.00000 359. RY*( 2) C 6 0.00189 0.00188 -0.00001 360. RY*( 3) C 6 0.00112 0.00112 0.00000 361. RY*( 4) C 6 0.00080 0.00080 0.00000 362. RY*( 5) C 6 0.00045 0.00045 0.00000 363. RY*( 6) C 6 0.00043 0.00043 0.00000 364. RY*( 7) C 6 0.00026 0.00026 0.00000 365. RY*( 8) C 6 0.00016 0.00016 0.00000 366. RY*( 9) C 6 0.00013 0.00013 0.00000 367. RY*(10) C 6 0.00007 0.00007 0.00000 368. RY*(11) C 6 0.00004 0.00004 0.00000 369. RY*(12) C 6 0.00003 0.00003 0.00000 370. RY*(13) C 6 0.00002 0.00002 0.00000 371. RY*(14) C 6 0.00002 0.00002 0.00000 372. RY*(15) C 6 0.00000 0.00000 0.00000 373. RY*(16) C 6 0.00000 0.00000 0.00000 374. RY*(17) C 6 0.00000 0.00000 0.00000 375. RY*(18) C 6 0.00000 0.00000 0.00000 376. RY*( 1) H 7 0.00302 0.00302 -0.00001 377. RY*( 2) H 7 0.00027 0.00027 0.00000 378. RY*( 3) H 7 0.00025 0.00025 0.00000 379. RY*( 4) H 7 0.00006 0.00006 0.00000 380. RY*( 5) H 7 0.00004 0.00004 0.00000 381. RY*( 1) C 8 0.00543 0.00543 0.00000 382. RY*( 2) C 8 0.00185 0.00185 0.00000 383. RY*( 3) C 8 0.00106 0.00105 -0.00001 384. RY*( 4) C 8 0.00079 0.00079 0.00000 385. RY*( 5) C 8 0.00044 0.00044 0.00000 386. RY*( 6) C 8 0.00023 0.00023 0.00000 387. RY*( 7) C 8 0.00018 0.00018 0.00000 388. RY*( 8) C 8 0.00008 0.00008 0.00000 389. RY*( 9) C 8 0.00006 0.00006 0.00000 390. RY*(10) C 8 0.00005 0.00005 0.00000 391. RY*(11) C 8 0.00002 0.00002 0.00000 392. RY*(12) C 8 0.00002 0.00002 0.00000 393. RY*(13) C 8 0.00002 0.00002 0.00000 394. RY*(14) C 8 0.00002 0.00002 0.00000 395. RY*(15) C 8 0.00001 0.00001 0.00000 396. RY*(16) C 8 0.00000 0.00000 0.00000 397. RY*(17) C 8 0.00000 0.00000 0.00000 398. RY*(18) C 8 0.00000 0.00000 0.00000 399. RY*( 1) H 9 0.00190 0.00190 0.00000 400. RY*( 2) H 9 0.00023 0.00023 0.00000 401. RY*( 3) H 9 0.00021 0.00021 0.00000 402. RY*( 4) H 9 0.00006 0.00006 0.00000 403. RY*( 5) H 9 0.00004 0.00004 0.00000 404. RY*( 1) C 10 0.00561 0.00561 0.00000 405. RY*( 2) C 10 0.00199 0.00199 0.00000 406. RY*( 3) C 10 0.00118 0.00118 0.00000 407. RY*( 4) C 10 0.00068 0.00068 0.00000 408. RY*( 5) C 10 0.00046 0.00046 0.00000 409. RY*( 6) C 10 0.00043 0.00043 0.00000 410. RY*( 7) C 10 0.00025 0.00025 0.00000 411. RY*( 8) C 10 0.00017 0.00017 0.00000 412. RY*( 9) C 10 0.00012 0.00012 0.00000 413. RY*(10) C 10 0.00008 0.00008 0.00000 414. RY*(11) C 10 0.00003 0.00003 0.00000 415. RY*(12) C 10 0.00003 0.00003 0.00000 416. RY*(13) C 10 0.00003 0.00003 0.00000 417. RY*(14) C 10 0.00000 0.00000 0.00000 418. RY*(15) C 10 0.00000 0.00000 0.00000 419. RY*(16) C 10 0.00001 0.00001 0.00000 420. RY*(17) C 10 0.00000 0.00000 0.00000 421. RY*(18) C 10 0.00001 0.00001 0.00000 422. RY*( 1) H 11 0.00261 0.00260 -0.00001 423. RY*( 2) H 11 0.00029 0.00029 0.00000 424. RY*( 3) H 11 0.00025 0.00025 0.00000 425. RY*( 4) H 11 0.00007 0.00007 0.00000 426. RY*( 5) H 11 0.00004 0.00004 0.00000 427. RY*( 1) C 12 0.00755 0.00754 -0.00001 428. RY*( 2) C 12 0.00449 0.00450 0.00000 429. RY*( 3) C 12 0.00372 0.00373 0.00000 430. RY*( 4) C 12 0.00143 0.00144 0.00001 431. RY*( 5) C 12 0.00060 0.00060 0.00000 432. RY*( 6) C 12 0.00049 0.00050 0.00000 433. RY*( 7) C 12 0.00044 0.00044 0.00000 434. RY*( 8) C 12 0.00026 0.00026 0.00000 435. RY*( 9) C 12 0.00024 0.00024 0.00000 436. RY*(10) C 12 0.00012 0.00012 0.00000 437. RY*(11) C 12 0.00011 0.00011 0.00000 438. RY*(12) C 12 0.00010 0.00010 0.00000 439. RY*(13) C 12 0.00006 0.00006 0.00000 440. RY*(14) C 12 0.00005 0.00005 0.00000 441. RY*(15) C 12 0.00003 0.00002 0.00000 442. RY*(16) C 12 0.00001 0.00001 0.00000 443. RY*(17) C 12 0.00001 0.00001 0.00000 444. RY*(18) C 12 0.00001 0.00001 0.00000 445. RY*( 1) C 13 0.00568 0.00567 -0.00001 446. RY*( 2) C 13 0.00208 0.00208 0.00000 447. RY*( 3) C 13 0.00186 0.00184 -0.00002 448. RY*( 4) C 13 0.00082 0.00079 -0.00002 449. RY*( 5) C 13 0.00057 0.00057 0.00000 450. RY*( 6) C 13 0.00041 0.00040 -0.00001 451. RY*( 7) C 13 0.00028 0.00028 0.00000 452. RY*( 8) C 13 0.00025 0.00025 -0.00001 453. RY*( 9) C 13 0.00019 0.00019 0.00000 454. RY*(10) C 13 0.00016 0.00016 0.00000 455. RY*(11) C 13 0.00013 0.00012 0.00000 456. RY*(12) C 13 0.00010 0.00010 0.00000 457. RY*(13) C 13 0.00006 0.00006 0.00000 458. RY*(14) C 13 0.00003 0.00003 0.00000 459. RY*(15) C 13 0.00004 0.00004 0.00000 460. RY*(16) C 13 0.00002 0.00002 0.00000 461. RY*(17) C 13 0.00002 0.00002 0.00000 462. RY*(18) C 13 0.00000 0.00000 0.00000 463. RY*( 1) H 14 0.00751 0.00746 -0.00005 464. RY*( 2) H 14 0.00028 0.00028 0.00000 465. RY*( 3) H 14 0.00019 0.00019 0.00000 466. RY*( 4) H 14 0.00013 0.00014 0.00000 467. RY*( 5) H 14 0.00008 0.00007 0.00000 468. RY*( 1) C 15 0.00295 0.00295 0.00000 469. RY*( 2) C 15 0.00181 0.00181 0.00000 470. RY*( 3) C 15 0.00053 0.00053 0.00000 471. RY*( 4) C 15 0.00021 0.00021 0.00000 472. RY*( 5) C 15 0.00018 0.00018 0.00000 473. RY*( 6) C 15 0.00014 0.00014 0.00000 474. RY*( 7) C 15 0.00012 0.00012 0.00000 475. RY*( 8) C 15 0.00008 0.00008 0.00000 476. RY*( 9) C 15 0.00004 0.00004 0.00000 477. RY*(10) C 15 0.00001 0.00001 0.00000 478. RY*(11) C 15 0.00002 0.00002 0.00000 479. RY*(12) C 15 0.00001 0.00001 0.00000 480. RY*(13) C 15 0.00001 0.00001 0.00000 481. RY*(14) C 15 0.00000 0.00000 0.00000 482. RY*(15) C 15 0.00000 0.00000 0.00000 483. RY*(16) C 15 0.00000 0.00000 0.00000 484. RY*(17) C 15 0.00000 0.00000 0.00000 485. RY*(18) C 15 0.00000 0.00000 0.00000 486. RY*( 1) H 16 0.00160 0.00159 -0.00001 487. RY*( 2) H 16 0.00018 0.00018 0.00000 488. RY*( 3) H 16 0.00019 0.00019 0.00000 489. RY*( 4) H 16 0.00012 0.00012 0.00000 490. RY*( 5) H 16 0.00002 0.00002 0.00000 491. RY*( 1) H 17 0.00196 0.00197 0.00001 492. RY*( 2) H 17 0.00018 0.00018 0.00000 493. RY*( 3) H 17 0.00010 0.00010 0.00000 494. RY*( 4) H 17 0.00011 0.00011 0.00000 495. RY*( 5) H 17 0.00003 0.00003 0.00000 496. RY*( 1) H 18 0.00131 0.00131 0.00000 497. RY*( 2) H 18 0.00023 0.00023 0.00000 498. RY*( 3) H 18 0.00013 0.00013 0.00000 499. RY*( 4) H 18 0.00013 0.00013 0.00000 500. RY*( 5) H 18 0.00003 0.00003 0.00000 501. RY*( 1) C 19 0.00278 0.00278 0.00000 502. RY*( 2) C 19 0.00197 0.00198 0.00002 503. RY*( 3) C 19 0.00074 0.00069 -0.00004 504. RY*( 4) C 19 0.00044 0.00043 0.00000 505. RY*( 5) C 19 0.00025 0.00025 0.00000 506. RY*( 6) C 19 0.00020 0.00020 0.00000 507. RY*( 7) C 19 0.00014 0.00014 0.00000 508. RY*( 8) C 19 0.00011 0.00012 0.00000 509. RY*( 9) C 19 0.00008 0.00008 0.00000 510. RY*(10) C 19 0.00003 0.00003 0.00000 511. RY*(11) C 19 0.00001 0.00001 0.00000 512. RY*(12) C 19 0.00001 0.00001 0.00000 513. RY*(13) C 19 0.00002 0.00002 0.00000 514. RY*(14) C 19 0.00000 0.00001 0.00000 515. RY*(15) C 19 0.00000 0.00000 0.00000 516. RY*(16) C 19 0.00000 0.00000 0.00000 517. RY*(17) C 19 0.00000 0.00000 0.00000 518. RY*(18) C 19 0.00001 0.00001 0.00000 519. RY*( 1) H 20 0.00221 0.00215 -0.00007 520. RY*( 2) H 20 0.00032 0.00032 0.00000 521. RY*( 3) H 20 0.00019 0.00019 0.00000 522. RY*( 4) H 20 0.00010 0.00010 0.00000 523. RY*( 5) H 20 0.00004 0.00004 0.00000 524. RY*( 1) H 21 0.00190 0.00189 0.00000 525. RY*( 2) H 21 0.00023 0.00022 -0.00001 526. RY*( 3) H 21 0.00011 0.00011 0.00000 527. RY*( 4) H 21 0.00011 0.00011 0.00000 528. RY*( 5) H 21 0.00003 0.00003 0.00000 529. RY*( 1) H 22 0.00179 0.00179 0.00000 530. RY*( 2) H 22 0.00024 0.00024 0.00000 531. RY*( 3) H 22 0.00015 0.00014 0.00000 532. RY*( 4) H 22 0.00011 0.00011 0.00000 533. RY*( 5) H 22 0.00002 0.00002 0.00000 534. RY*( 1) C 23 0.00559 0.00560 0.00001 535. RY*( 2) C 23 0.00215 0.00215 0.00000 536. RY*( 3) C 23 0.00161 0.00161 0.00000 537. RY*( 4) C 23 0.00076 0.00075 0.00000 538. RY*( 5) C 23 0.00064 0.00063 0.00000 539. RY*( 6) C 23 0.00040 0.00040 0.00000 540. RY*( 7) C 23 0.00033 0.00033 0.00000 541. RY*( 8) C 23 0.00023 0.00023 0.00000 542. RY*( 9) C 23 0.00018 0.00018 0.00000 543. RY*(10) C 23 0.00015 0.00015 0.00000 544. RY*(11) C 23 0.00010 0.00010 0.00000 545. RY*(12) C 23 0.00007 0.00007 0.00000 546. RY*(13) C 23 0.00006 0.00007 0.00000 547. RY*(14) C 23 0.00002 0.00002 0.00000 548. RY*(15) C 23 0.00003 0.00003 0.00000 549. RY*(16) C 23 0.00003 0.00003 0.00000 550. RY*(17) C 23 0.00000 0.00000 0.00000 551. RY*(18) C 23 0.00001 0.00001 0.00000 552. RY*( 1) H 24 0.00518 0.00542 0.00024 553. RY*( 2) H 24 0.00023 0.00023 0.00000 554. RY*( 3) H 24 0.00019 0.00020 0.00001 555. RY*( 4) H 24 0.00012 0.00012 0.00000 556. RY*( 5) H 24 0.00007 0.00007 0.00000 557. RY*( 1) C 25 0.00300 0.00300 0.00000 558. RY*( 2) C 25 0.00184 0.00183 -0.00001 559. RY*( 3) C 25 0.00044 0.00043 0.00000 560. RY*( 4) C 25 0.00022 0.00022 0.00000 561. RY*( 5) C 25 0.00019 0.00019 0.00000 562. RY*( 6) C 25 0.00015 0.00015 0.00000 563. RY*( 7) C 25 0.00012 0.00012 0.00000 564. RY*( 8) C 25 0.00007 0.00007 0.00000 565. RY*( 9) C 25 0.00005 0.00005 0.00000 566. RY*(10) C 25 0.00000 0.00000 0.00000 567. RY*(11) C 25 0.00001 0.00001 0.00000 568. RY*(12) C 25 0.00000 0.00000 0.00000 569. RY*(13) C 25 0.00000 0.00000 0.00000 570. RY*(14) C 25 0.00000 0.00000 0.00000 571. RY*(15) C 25 0.00001 0.00001 0.00000 572. RY*(16) C 25 0.00001 0.00001 0.00000 573. RY*(17) C 25 0.00001 0.00001 0.00000 574. RY*(18) C 25 0.00000 0.00000 0.00000 575. RY*( 1) H 26 0.00175 0.00175 -0.00001 576. RY*( 2) H 26 0.00020 0.00020 0.00000 577. RY*( 3) H 26 0.00013 0.00013 0.00000 578. RY*( 4) H 26 0.00010 0.00010 0.00000 579. RY*( 5) H 26 0.00002 0.00002 0.00000 580. RY*( 1) H 27 0.00155 0.00155 0.00000 581. RY*( 2) H 27 0.00017 0.00017 0.00000 582. RY*( 3) H 27 0.00012 0.00012 0.00000 583. RY*( 4) H 27 0.00009 0.00009 0.00000 584. RY*( 5) H 27 0.00002 0.00002 0.00000 585. RY*( 1) H 28 0.00112 0.00112 0.00000 586. RY*( 2) H 28 0.00018 0.00018 0.00000 587. RY*( 3) H 28 0.00013 0.00013 0.00000 588. RY*( 4) H 28 0.00009 0.00009 0.00000 589. RY*( 5) H 28 0.00003 0.00003 0.00000 590. RY*( 1) C 29 0.00286 0.00286 0.00000 591. RY*( 2) C 29 0.00215 0.00215 0.00000 592. RY*( 3) C 29 0.00070 0.00070 0.00001 593. RY*( 4) C 29 0.00026 0.00026 0.00000 594. RY*( 5) C 29 0.00018 0.00018 0.00000 595. RY*( 6) C 29 0.00013 0.00013 0.00000 596. RY*( 7) C 29 0.00011 0.00011 0.00000 597. RY*( 8) C 29 0.00007 0.00007 0.00000 598. RY*( 9) C 29 0.00005 0.00005 0.00000 599. RY*(10) C 29 0.00002 0.00002 0.00000 600. RY*(11) C 29 0.00001 0.00001 0.00000 601. RY*(12) C 29 0.00001 0.00001 0.00000 602. RY*(13) C 29 0.00000 0.00000 0.00000 603. RY*(14) C 29 0.00001 0.00001 0.00000 604. RY*(15) C 29 0.00000 0.00000 0.00000 605. RY*(16) C 29 0.00000 0.00000 0.00000 606. RY*(17) C 29 0.00000 0.00000 0.00000 607. RY*(18) C 29 0.00000 0.00000 0.00000 608. RY*( 1) H 30 0.00224 0.00226 0.00003 609. RY*( 2) H 30 0.00028 0.00028 0.00000 610. RY*( 3) H 30 0.00013 0.00013 0.00000 611. RY*( 4) H 30 0.00010 0.00010 0.00000 612. RY*( 5) H 30 0.00004 0.00004 0.00000 613. RY*( 1) H 31 0.00195 0.00195 0.00000 614. RY*( 2) H 31 0.00022 0.00022 0.00000 615. RY*( 3) H 31 0.00013 0.00013 0.00000 616. RY*( 4) H 31 0.00009 0.00009 0.00000 617. RY*( 5) H 31 0.00002 0.00002 0.00000 618. RY*( 1) H 32 0.00211 0.00211 0.00000 619. RY*( 2) H 32 0.00026 0.00026 0.00000 620. RY*( 3) H 32 0.00012 0.00012 0.00000 621. RY*( 4) H 32 0.00010 0.00010 0.00000 622. RY*( 5) H 32 0.00003 0.00003 0.00000 623. RY*( 1) C 33 0.00681 0.00674 -0.00008 624. RY*( 2) C 33 0.00378 0.00442 0.00063 625. RY*( 3) C 33 0.00234 0.00240 0.00007 626. RY*( 4) C 33 0.00157 0.00162 0.00005 627. RY*( 5) C 33 0.00064 0.00068 0.00004 628. RY*( 6) C 33 0.00062 0.00062 0.00000 629. RY*( 7) C 33 0.00041 0.00044 0.00003 630. RY*( 8) C 33 0.00030 0.00030 0.00000 631. RY*( 9) C 33 0.00023 0.00030 0.00007 632. RY*(10) C 33 0.00014 0.00014 0.00000 633. RY*(11) C 33 0.00009 0.00009 0.00000 634. RY*(12) C 33 0.00007 0.00007 0.00001 635. RY*(13) C 33 0.00005 0.00006 0.00001 636. RY*(14) C 33 0.00003 0.00003 0.00001 637. RY*(15) C 33 0.00003 0.00004 0.00000 638. RY*(16) C 33 0.00002 0.00002 0.00000 639. RY*(17) C 33 0.00001 0.00001 0.00000 640. RY*(18) C 33 0.00001 0.00001 0.00000 641. RY*( 1) C 34 0.00858 0.00895 0.00036 642. RY*( 2) C 34 0.00577 0.00577 0.00000 643. RY*( 3) C 34 0.00406 0.00429 0.00022 644. RY*( 4) C 34 0.00241 0.00244 0.00003 645. RY*( 5) C 34 0.00062 0.00060 -0.00003 646. RY*( 6) C 34 0.00055 0.00055 0.00000 647. RY*( 7) C 34 0.00036 0.00035 -0.00001 648. RY*( 8) C 34 0.00031 0.00031 0.00000 649. RY*( 9) C 34 0.00023 0.00027 0.00004 650. RY*(10) C 34 0.00014 0.00013 -0.00001 651. RY*(11) C 34 0.00014 0.00014 0.00000 652. RY*(12) C 34 0.00009 0.00009 0.00001 653. RY*(13) C 34 0.00005 0.00006 0.00001 654. RY*(14) C 34 0.00005 0.00005 0.00000 655. RY*(15) C 34 0.00003 0.00003 0.00000 656. RY*(16) C 34 0.00001 0.00001 0.00000 657. RY*(17) C 34 0.00001 0.00001 0.00000 658. RY*(18) C 34 0.00001 0.00001 0.00000 659. RY*( 1) C 35 0.00573 0.00577 0.00004 660. RY*( 2) C 35 0.00189 0.00190 0.00001 661. RY*( 3) C 35 0.00143 0.00143 -0.00001 662. RY*( 4) C 35 0.00088 0.00088 0.00001 663. RY*( 5) C 35 0.00045 0.00047 0.00002 664. RY*( 6) C 35 0.00043 0.00043 0.00000 665. RY*( 7) C 35 0.00028 0.00028 0.00000 666. RY*( 8) C 35 0.00016 0.00016 0.00000 667. RY*( 9) C 35 0.00014 0.00014 0.00000 668. RY*(10) C 35 0.00009 0.00011 0.00002 669. RY*(11) C 35 0.00003 0.00004 0.00001 670. RY*(12) C 35 0.00004 0.00004 0.00000 671. RY*(13) C 35 0.00003 0.00003 0.00000 672. RY*(14) C 35 0.00001 0.00001 0.00000 673. RY*(15) C 35 0.00000 0.00000 0.00000 674. RY*(16) C 35 0.00001 0.00001 0.00000 675. RY*(17) C 35 0.00001 0.00001 0.00000 676. RY*(18) C 35 0.00000 0.00001 0.00000 677. RY*( 1) H 36 0.00304 0.00303 -0.00001 678. RY*( 2) H 36 0.00028 0.00028 0.00000 679. RY*( 3) H 36 0.00027 0.00027 0.00000 680. RY*( 4) H 36 0.00006 0.00006 0.00000 681. RY*( 5) H 36 0.00004 0.00004 0.00000 682. RY*( 1) C 37 0.00536 0.00532 -0.00004 683. RY*( 2) C 37 0.00192 0.00192 0.00000 684. RY*( 3) C 37 0.00128 0.00129 0.00001 685. RY*( 4) C 37 0.00078 0.00081 0.00003 686. RY*( 5) C 37 0.00048 0.00048 0.00000 687. RY*( 6) C 37 0.00030 0.00030 0.00000 688. RY*( 7) C 37 0.00018 0.00018 0.00000 689. RY*( 8) C 37 0.00009 0.00009 0.00000 690. RY*( 9) C 37 0.00006 0.00006 0.00000 691. RY*(10) C 37 0.00003 0.00003 0.00000 692. RY*(11) C 37 0.00004 0.00004 0.00000 693. RY*(12) C 37 0.00003 0.00003 0.00000 694. RY*(13) C 37 0.00004 0.00004 0.00000 695. RY*(14) C 37 0.00002 0.00002 0.00000 696. RY*(15) C 37 0.00001 0.00001 0.00000 697. RY*(16) C 37 0.00000 0.00000 0.00000 698. RY*(17) C 37 0.00000 0.00000 0.00000 699. RY*(18) C 37 0.00000 0.00000 0.00000 700. RY*( 1) H 38 0.00201 0.00200 -0.00001 701. RY*( 2) H 38 0.00024 0.00024 0.00000 702. RY*( 3) H 38 0.00023 0.00023 0.00000 703. RY*( 4) H 38 0.00006 0.00006 0.00000 704. RY*( 5) H 38 0.00004 0.00004 0.00000 705. RY*( 1) C 39 0.00575 0.00580 0.00005 706. RY*( 2) C 39 0.00197 0.00197 0.00001 707. RY*( 3) C 39 0.00134 0.00134 0.00000 708. RY*( 4) C 39 0.00079 0.00080 0.00000 709. RY*( 5) C 39 0.00050 0.00051 0.00001 710. RY*( 6) C 39 0.00044 0.00045 0.00000 711. RY*( 7) C 39 0.00029 0.00028 -0.00001 712. RY*( 8) C 39 0.00020 0.00019 0.00000 713. RY*( 9) C 39 0.00013 0.00013 0.00000 714. RY*(10) C 39 0.00011 0.00011 0.00000 715. RY*(11) C 39 0.00003 0.00003 0.00000 716. RY*(12) C 39 0.00004 0.00004 0.00000 717. RY*(13) C 39 0.00001 0.00001 0.00000 718. RY*(14) C 39 0.00001 0.00001 0.00000 719. RY*(15) C 39 0.00001 0.00002 0.00000 720. RY*(16) C 39 0.00001 0.00001 0.00000 721. RY*(17) C 39 0.00001 0.00001 0.00000 722. RY*(18) C 39 0.00001 0.00001 0.00000 723. RY*( 1) H 40 0.00287 0.00286 0.00000 724. RY*( 2) H 40 0.00029 0.00029 0.00000 725. RY*( 3) H 40 0.00024 0.00024 0.00000 726. RY*( 4) H 40 0.00006 0.00006 0.00000 727. RY*( 5) H 40 0.00004 0.00004 0.00000 728. RY*( 1) C 41 0.00916 0.00879 -0.00037 729. RY*( 2) C 41 0.00546 0.00574 0.00027 730. RY*( 3) C 41 0.00440 0.00452 0.00012 731. RY*( 4) C 41 0.00217 0.00215 -0.00002 732. RY*( 5) C 41 0.00054 0.00053 -0.00001 733. RY*( 6) C 41 0.00045 0.00047 0.00002 734. RY*( 7) C 41 0.00035 0.00034 -0.00001 735. RY*( 8) C 41 0.00027 0.00029 0.00002 736. RY*( 9) C 41 0.00026 0.00027 0.00001 737. RY*(10) C 41 0.00014 0.00014 0.00000 738. RY*(11) C 41 0.00012 0.00013 0.00001 739. RY*(12) C 41 0.00008 0.00008 0.00000 740. RY*(13) C 41 0.00009 0.00010 0.00001 741. RY*(14) C 41 0.00006 0.00006 0.00000 742. RY*(15) C 41 0.00002 0.00003 0.00000 743. RY*(16) C 41 0.00001 0.00001 0.00000 744. RY*(17) C 41 0.00001 0.00001 0.00000 745. RY*(18) C 41 0.00001 0.00001 0.00000 746. RY*( 1) C 42 0.00625 0.00626 0.00001 747. RY*( 2) C 42 0.00304 0.00305 0.00001 748. RY*( 3) C 42 0.00184 0.00183 -0.00001 749. RY*( 4) C 42 0.00068 0.00068 0.00001 750. RY*( 5) C 42 0.00062 0.00059 -0.00003 751. RY*( 6) C 42 0.00044 0.00044 0.00000 752. RY*( 7) C 42 0.00031 0.00031 0.00001 753. RY*( 8) C 42 0.00028 0.00028 0.00000 754. RY*( 9) C 42 0.00022 0.00023 0.00001 755. RY*(10) C 42 0.00018 0.00017 0.00000 756. RY*(11) C 42 0.00014 0.00014 0.00000 757. RY*(12) C 42 0.00012 0.00012 0.00000 758. RY*(13) C 42 0.00006 0.00008 0.00001 759. RY*(14) C 42 0.00003 0.00003 0.00000 760. RY*(15) C 42 0.00002 0.00002 0.00000 761. RY*(16) C 42 0.00002 0.00002 0.00000 762. RY*(17) C 42 0.00001 0.00001 0.00000 763. RY*(18) C 42 0.00000 0.00000 0.00000 764. RY*( 1) H 43 0.00645 0.00644 0.00000 765. RY*( 2) H 43 0.00022 0.00023 0.00000 766. RY*( 3) H 43 0.00019 0.00022 0.00002 767. RY*( 4) H 43 0.00013 0.00013 0.00000 768. RY*( 5) H 43 0.00008 0.00008 0.00000 769. RY*( 1) C 44 0.00291 0.00291 0.00000 770. RY*( 2) C 44 0.00233 0.00233 0.00000 771. RY*( 3) C 44 0.00083 0.00083 0.00000 772. RY*( 4) C 44 0.00025 0.00025 0.00000 773. RY*( 5) C 44 0.00017 0.00017 0.00000 774. RY*( 6) C 44 0.00016 0.00016 0.00000 775. RY*( 7) C 44 0.00013 0.00013 0.00000 776. RY*( 8) C 44 0.00007 0.00007 0.00000 777. RY*( 9) C 44 0.00004 0.00004 0.00000 778. RY*(10) C 44 0.00004 0.00004 0.00000 779. RY*(11) C 44 0.00002 0.00002 0.00000 780. RY*(12) C 44 0.00001 0.00001 0.00000 781. RY*(13) C 44 0.00000 0.00000 0.00000 782. RY*(14) C 44 0.00000 0.00000 0.00000 783. RY*(15) C 44 0.00001 0.00001 0.00000 784. RY*(16) C 44 0.00000 0.00000 0.00000 785. RY*(17) C 44 0.00001 0.00001 0.00000 786. RY*(18) C 44 0.00000 0.00000 0.00000 787. RY*( 1) H 45 0.00168 0.00167 0.00000 788. RY*( 2) H 45 0.00024 0.00024 0.00000 789. RY*( 3) H 45 0.00014 0.00014 0.00000 790. RY*( 4) H 45 0.00011 0.00011 0.00000 791. RY*( 5) H 45 0.00002 0.00002 0.00000 792. RY*( 1) H 46 0.00170 0.00171 0.00001 793. RY*( 2) H 46 0.00023 0.00023 0.00000 794. RY*( 3) H 46 0.00013 0.00013 0.00000 795. RY*( 4) H 46 0.00009 0.00009 0.00000 796. RY*( 5) H 46 0.00003 0.00003 0.00000 797. RY*( 1) H 47 0.00263 0.00264 0.00000 798. RY*( 2) H 47 0.00026 0.00026 0.00000 799. RY*( 3) H 47 0.00014 0.00014 0.00000 800. RY*( 4) H 47 0.00010 0.00010 0.00000 801. RY*( 5) H 47 0.00004 0.00004 0.00000 802. RY*( 1) C 48 0.00286 0.00288 0.00002 803. RY*( 2) C 48 0.00220 0.00218 -0.00002 804. RY*( 3) C 48 0.00085 0.00086 0.00001 805. RY*( 4) C 48 0.00036 0.00037 0.00001 806. RY*( 5) C 48 0.00022 0.00023 0.00000 807. RY*( 6) C 48 0.00018 0.00018 0.00000 808. RY*( 7) C 48 0.00014 0.00014 0.00001 809. RY*( 8) C 48 0.00009 0.00009 0.00000 810. RY*( 9) C 48 0.00007 0.00007 0.00000 811. RY*(10) C 48 0.00003 0.00003 0.00000 812. RY*(11) C 48 0.00003 0.00003 0.00000 813. RY*(12) C 48 0.00000 0.00000 0.00000 814. RY*(13) C 48 0.00000 0.00000 0.00000 815. RY*(14) C 48 0.00001 0.00001 0.00000 816. RY*(15) C 48 0.00000 0.00000 0.00000 817. RY*(16) C 48 0.00000 0.00000 0.00000 818. RY*(17) C 48 0.00001 0.00001 0.00000 819. RY*(18) C 48 0.00000 0.00000 0.00000 820. RY*( 1) H 49 0.00168 0.00168 0.00000 821. RY*( 2) H 49 0.00022 0.00022 0.00000 822. RY*( 3) H 49 0.00015 0.00015 0.00000 823. RY*( 4) H 49 0.00010 0.00011 0.00001 824. RY*( 5) H 49 0.00005 0.00005 0.00000 825. RY*( 1) H 50 0.00173 0.00174 0.00000 826. RY*( 2) H 50 0.00019 0.00019 0.00000 827. RY*( 3) H 50 0.00013 0.00013 0.00000 828. RY*( 4) H 50 0.00011 0.00011 0.00000 829. RY*( 5) H 50 0.00003 0.00003 0.00000 830. RY*( 1) H 51 0.00149 0.00149 0.00000 831. RY*( 2) H 51 0.00021 0.00021 0.00000 832. RY*( 3) H 51 0.00012 0.00012 0.00000 833. RY*( 4) H 51 0.00012 0.00012 0.00000 834. RY*( 5) H 51 0.00002 0.00002 0.00000 835. RY*( 1) C 52 0.00598 0.00589 -0.00010 836. RY*( 2) C 52 0.00264 0.00264 0.00000 837. RY*( 3) C 52 0.00171 0.00166 -0.00005 838. RY*( 4) C 52 0.00066 0.00066 0.00001 839. RY*( 5) C 52 0.00064 0.00053 -0.00012 840. RY*( 6) C 52 0.00040 0.00040 0.00000 841. RY*( 7) C 52 0.00031 0.00031 0.00000 842. RY*( 8) C 52 0.00027 0.00027 0.00000 843. RY*( 9) C 52 0.00022 0.00022 0.00000 844. RY*(10) C 52 0.00016 0.00016 0.00000 845. RY*(11) C 52 0.00013 0.00013 0.00001 846. RY*(12) C 52 0.00011 0.00011 0.00000 847. RY*(13) C 52 0.00005 0.00005 0.00000 848. RY*(14) C 52 0.00003 0.00003 0.00000 849. RY*(15) C 52 0.00002 0.00002 0.00000 850. RY*(16) C 52 0.00002 0.00002 0.00000 851. RY*(17) C 52 0.00002 0.00002 0.00000 852. RY*(18) C 52 0.00000 0.00000 0.00000 853. RY*( 1) H 53 0.00428 0.00412 -0.00016 854. RY*( 2) H 53 0.00032 0.00033 0.00001 855. RY*( 3) H 53 0.00022 0.00023 0.00000 856. RY*( 4) H 53 0.00013 0.00013 0.00000 857. RY*( 5) H 53 0.00008 0.00008 0.00000 858. RY*( 1) C 54 0.00296 0.00296 0.00000 859. RY*( 2) C 54 0.00184 0.00185 0.00001 860. RY*( 3) C 54 0.00065 0.00064 -0.00001 861. RY*( 4) C 54 0.00022 0.00022 0.00000 862. RY*( 5) C 54 0.00020 0.00020 0.00001 863. RY*( 6) C 54 0.00016 0.00016 0.00000 864. RY*( 7) C 54 0.00013 0.00012 0.00000 865. RY*( 8) C 54 0.00009 0.00010 0.00001 866. RY*( 9) C 54 0.00006 0.00006 0.00000 867. RY*(10) C 54 0.00003 0.00003 0.00000 868. RY*(11) C 54 0.00001 0.00001 0.00000 869. RY*(12) C 54 0.00001 0.00001 0.00000 870. RY*(13) C 54 0.00001 0.00001 0.00000 871. RY*(14) C 54 0.00000 0.00000 0.00000 872. RY*(15) C 54 0.00000 0.00000 0.00000 873. RY*(16) C 54 0.00001 0.00001 0.00000 874. RY*(17) C 54 0.00001 0.00001 0.00000 875. RY*(18) C 54 0.00000 0.00000 0.00000 876. RY*( 1) H 55 0.00157 0.00157 0.00000 877. RY*( 2) H 55 0.00024 0.00024 0.00000 878. RY*( 3) H 55 0.00017 0.00017 0.00000 879. RY*( 4) H 55 0.00010 0.00010 0.00000 880. RY*( 5) H 55 0.00002 0.00002 0.00000 881. RY*( 1) H 56 0.00154 0.00154 0.00000 882. RY*( 2) H 56 0.00024 0.00024 0.00000 883. RY*( 3) H 56 0.00012 0.00012 0.00000 884. RY*( 4) H 56 0.00010 0.00010 0.00000 885. RY*( 5) H 56 0.00003 0.00003 0.00000 886. RY*( 1) H 57 0.00209 0.00202 -0.00007 887. RY*( 2) H 57 0.00027 0.00026 0.00000 888. RY*( 3) H 57 0.00015 0.00015 0.00000 889. RY*( 4) H 57 0.00011 0.00011 0.00000 890. RY*( 5) H 57 0.00004 0.00004 0.00000 891. RY*( 1) C 58 0.00269 0.00269 0.00000 892. RY*( 2) C 58 0.00203 0.00204 0.00000 893. RY*( 3) C 58 0.00069 0.00069 -0.00001 894. RY*( 4) C 58 0.00023 0.00023 0.00000 895. RY*( 5) C 58 0.00017 0.00016 0.00000 896. RY*( 6) C 58 0.00014 0.00014 0.00000 897. RY*( 7) C 58 0.00009 0.00009 0.00000 898. RY*( 8) C 58 0.00004 0.00004 0.00000 899. RY*( 9) C 58 0.00005 0.00005 0.00000 900. RY*(10) C 58 0.00001 0.00001 0.00000 901. RY*(11) C 58 0.00001 0.00001 0.00000 902. RY*(12) C 58 0.00000 0.00000 0.00000 903. RY*(13) C 58 0.00000 0.00000 0.00000 904. RY*(14) C 58 0.00001 0.00001 0.00000 905. RY*(15) C 58 0.00001 0.00001 0.00000 906. RY*(16) C 58 0.00000 0.00000 0.00000 907. RY*(17) C 58 0.00000 0.00000 0.00000 908. RY*(18) C 58 0.00000 0.00000 0.00000 909. RY*( 1) H 59 0.00164 0.00166 0.00001 910. RY*( 2) H 59 0.00030 0.00030 0.00001 911. RY*( 3) H 59 0.00011 0.00011 0.00000 912. RY*( 4) H 59 0.00011 0.00011 0.00000 913. RY*( 5) H 59 0.00004 0.00004 0.00000 914. RY*( 1) H 60 0.00171 0.00172 0.00001 915. RY*( 2) H 60 0.00015 0.00015 0.00000 916. RY*( 3) H 60 0.00013 0.00013 0.00000 917. RY*( 4) H 60 0.00008 0.00008 0.00000 918. RY*( 5) H 60 0.00002 0.00002 0.00000 919. RY*( 1) H 61 0.00191 0.00191 0.00000 920. RY*( 2) H 61 0.00017 0.00017 0.00000 921. RY*( 3) H 61 0.00012 0.00012 0.00000 922. RY*( 4) H 61 0.00010 0.00010 0.00000 923. RY*( 5) H 61 0.00002 0.00002 0.00000 924. RY*( 1) C 62 0.00740 0.00730 -0.00011 925. RY*( 2) C 62 0.00293 0.00296 0.00003 926. RY*( 3) C 62 0.00258 0.00250 -0.00008 927. RY*( 4) C 62 0.00094 0.00093 -0.00001 928. RY*( 5) C 62 0.00063 0.00063 0.00000 929. RY*( 6) C 62 0.00052 0.00052 0.00000 930. RY*( 7) C 62 0.00038 0.00037 0.00000 931. RY*( 8) C 62 0.00027 0.00029 0.00001 932. RY*( 9) C 62 0.00023 0.00023 0.00000 933. RY*(10) C 62 0.00011 0.00012 0.00000 934. RY*(11) C 62 0.00009 0.00009 0.00000 935. RY*(12) C 62 0.00005 0.00005 0.00000 936. RY*(13) C 62 0.00006 0.00006 0.00000 937. RY*(14) C 62 0.00004 0.00004 0.00000 938. RY*(15) C 62 0.00004 0.00004 0.00000 939. RY*(16) C 62 0.00002 0.00002 0.00000 940. RY*(17) C 62 0.00001 0.00001 0.00000 941. RY*(18) C 62 0.00001 0.00001 0.00000 942. RY*( 1) C 63 0.00723 0.00722 -0.00001 943. RY*( 2) C 63 0.00436 0.00436 0.00000 944. RY*( 3) C 63 0.00369 0.00369 0.00000 945. RY*( 4) C 63 0.00196 0.00194 -0.00001 946. RY*( 5) C 63 0.00066 0.00066 0.00000 947. RY*( 6) C 63 0.00053 0.00053 0.00000 948. RY*( 7) C 63 0.00044 0.00044 0.00000 949. RY*( 8) C 63 0.00026 0.00026 0.00000 950. RY*( 9) C 63 0.00021 0.00021 0.00000 951. RY*(10) C 63 0.00012 0.00012 0.00000 952. RY*(11) C 63 0.00011 0.00011 0.00000 953. RY*(12) C 63 0.00007 0.00007 0.00000 954. RY*(13) C 63 0.00005 0.00005 0.00000 955. RY*(14) C 63 0.00005 0.00005 0.00000 956. RY*(15) C 63 0.00003 0.00003 0.00000 957. RY*(16) C 63 0.00001 0.00001 0.00000 958. RY*(17) C 63 0.00001 0.00001 0.00000 959. RY*(18) C 63 0.00001 0.00001 0.00000 960. RY*( 1) C 64 0.00546 0.00546 0.00000 961. RY*( 2) C 64 0.00187 0.00186 0.00000 962. RY*( 3) C 64 0.00110 0.00110 0.00000 963. RY*( 4) C 64 0.00078 0.00078 0.00000 964. RY*( 5) C 64 0.00046 0.00046 0.00000 965. RY*( 6) C 64 0.00043 0.00043 0.00000 966. RY*( 7) C 64 0.00026 0.00026 0.00000 967. RY*( 8) C 64 0.00016 0.00016 0.00000 968. RY*( 9) C 64 0.00013 0.00013 0.00000 969. RY*(10) C 64 0.00007 0.00007 0.00000 970. RY*(11) C 64 0.00003 0.00003 0.00000 971. RY*(12) C 64 0.00003 0.00003 0.00000 972. RY*(13) C 64 0.00004 0.00004 0.00000 973. RY*(14) C 64 0.00000 0.00000 0.00000 974. RY*(15) C 64 0.00000 0.00000 0.00000 975. RY*(16) C 64 0.00001 0.00001 0.00000 976. RY*(17) C 64 0.00001 0.00001 0.00000 977. RY*(18) C 64 0.00000 0.00000 0.00000 978. RY*( 1) H 65 0.00304 0.00303 -0.00001 979. RY*( 2) H 65 0.00026 0.00026 0.00000 980. RY*( 3) H 65 0.00027 0.00027 0.00000 981. RY*( 4) H 65 0.00006 0.00006 0.00000 982. RY*( 5) H 65 0.00004 0.00004 0.00000 983. RY*( 1) C 66 0.00544 0.00544 0.00000 984. RY*( 2) C 66 0.00190 0.00190 0.00000 985. RY*( 3) C 66 0.00105 0.00105 0.00000 986. RY*( 4) C 66 0.00078 0.00078 0.00000 987. RY*( 5) C 66 0.00045 0.00045 0.00000 988. RY*( 6) C 66 0.00023 0.00023 0.00000 989. RY*( 7) C 66 0.00018 0.00018 0.00000 990. RY*( 8) C 66 0.00008 0.00008 0.00000 991. RY*( 9) C 66 0.00005 0.00005 0.00000 992. RY*(10) C 66 0.00003 0.00003 0.00000 993. RY*(11) C 66 0.00003 0.00003 0.00000 994. RY*(12) C 66 0.00001 0.00001 0.00000 995. RY*(13) C 66 0.00002 0.00002 0.00000 996. RY*(14) C 66 0.00002 0.00002 0.00000 997. RY*(15) C 66 0.00001 0.00001 0.00000 998. RY*(16) C 66 0.00000 0.00000 0.00000 999. RY*(17) C 66 0.00000 0.00000 0.00000 ***. RY*(18) C 66 0.00000 0.00000 0.00000 ***. RY*( 1) H 67 0.00191 0.00191 0.00000 ***. RY*( 2) H 67 0.00023 0.00023 0.00000 ***. RY*( 3) H 67 0.00021 0.00021 0.00000 ***. RY*( 4) H 67 0.00006 0.00006 0.00000 ***. RY*( 5) H 67 0.00004 0.00004 0.00000 ***. RY*( 1) C 68 0.00544 0.00544 0.00000 ***. RY*( 2) C 68 0.00185 0.00185 0.00000 ***. RY*( 3) C 68 0.00103 0.00103 0.00000 ***. RY*( 4) C 68 0.00075 0.00075 0.00000 ***. RY*( 5) C 68 0.00046 0.00046 0.00000 ***. RY*( 6) C 68 0.00045 0.00045 0.00000 ***. RY*( 7) C 68 0.00028 0.00028 0.00000 ***. RY*( 8) C 68 0.00016 0.00016 0.00000 ***. RY*( 9) C 68 0.00013 0.00013 0.00000 ***. RY*(10) C 68 0.00007 0.00007 0.00000 ***. RY*(11) C 68 0.00003 0.00003 0.00000 ***. RY*(12) C 68 0.00003 0.00003 0.00000 ***. RY*(13) C 68 0.00003 0.00003 0.00000 ***. RY*(14) C 68 0.00000 0.00000 0.00000 ***. RY*(15) C 68 0.00001 0.00001 0.00000 ***. RY*(16) C 68 0.00000 0.00000 0.00000 ***. RY*(17) C 68 0.00000 0.00000 0.00000 ***. RY*(18) C 68 0.00001 0.00001 0.00000 ***. RY*( 1) H 69 0.00301 0.00302 0.00000 ***. RY*( 2) H 69 0.00029 0.00029 0.00000 ***. RY*( 3) H 69 0.00026 0.00026 0.00000 ***. RY*( 4) H 69 0.00006 0.00006 0.00000 ***. RY*( 5) H 69 0.00004 0.00004 0.00000 ***. RY*( 1) C 70 0.00777 0.00776 -0.00001 ***. RY*( 2) C 70 0.00464 0.00464 0.00000 ***. RY*( 3) C 70 0.00382 0.00382 0.00000 ***. RY*( 4) C 70 0.00176 0.00177 0.00001 ***. RY*( 5) C 70 0.00065 0.00065 0.00000 ***. RY*( 6) C 70 0.00049 0.00049 0.00000 ***. RY*( 7) C 70 0.00039 0.00038 0.00000 ***. RY*( 8) C 70 0.00027 0.00028 0.00000 ***. RY*( 9) C 70 0.00025 0.00025 0.00000 ***. RY*(10) C 70 0.00012 0.00012 0.00000 ***. RY*(11) C 70 0.00009 0.00009 0.00000 ***. RY*(12) C 70 0.00008 0.00008 0.00000 ***. RY*(13) C 70 0.00004 0.00004 0.00000 ***. RY*(14) C 70 0.00005 0.00005 0.00000 ***. RY*(15) C 70 0.00003 0.00003 0.00000 ***. RY*(16) C 70 0.00001 0.00001 0.00000 ***. RY*(17) C 70 0.00001 0.00001 0.00000 ***. RY*(18) C 70 0.00001 0.00001 0.00000 ***. RY*( 1) C 71 0.00579 0.00577 -0.00002 ***. RY*( 2) C 71 0.00214 0.00215 0.00000 ***. RY*( 3) C 71 0.00174 0.00171 -0.00003 ***. RY*( 4) C 71 0.00077 0.00075 -0.00002 ***. RY*( 5) C 71 0.00059 0.00059 0.00000 ***. RY*( 6) C 71 0.00041 0.00041 0.00000 ***. RY*( 7) C 71 0.00029 0.00029 0.00000 ***. RY*( 8) C 71 0.00026 0.00026 0.00000 ***. RY*( 9) C 71 0.00020 0.00020 -0.00001 ***. RY*(10) C 71 0.00015 0.00015 0.00000 ***. RY*(11) C 71 0.00011 0.00011 0.00000 ***. RY*(12) C 71 0.00011 0.00011 0.00000 ***. RY*(13) C 71 0.00006 0.00006 0.00000 ***. RY*(14) C 71 0.00003 0.00003 0.00000 ***. RY*(15) C 71 0.00003 0.00003 0.00000 ***. RY*(16) C 71 0.00002 0.00002 0.00000 ***. RY*(17) C 71 0.00002 0.00002 0.00000 ***. RY*(18) C 71 0.00000 0.00000 0.00000 ***. RY*( 1) H 72 0.00790 0.00786 -0.00004 ***. RY*( 2) H 72 0.00027 0.00028 0.00000 ***. RY*( 3) H 72 0.00019 0.00019 0.00000 ***. RY*( 4) H 72 0.00013 0.00014 0.00000 ***. RY*( 5) H 72 0.00008 0.00008 0.00000 ***. RY*( 1) C 73 0.00295 0.00295 0.00000 ***. RY*( 2) C 73 0.00181 0.00181 0.00000 ***. RY*( 3) C 73 0.00053 0.00053 0.00000 ***. RY*( 4) C 73 0.00020 0.00020 0.00000 ***. RY*( 5) C 73 0.00017 0.00017 0.00000 ***. RY*( 6) C 73 0.00014 0.00014 0.00000 ***. RY*( 7) C 73 0.00011 0.00011 0.00000 ***. RY*( 8) C 73 0.00008 0.00008 0.00000 ***. RY*( 9) C 73 0.00004 0.00004 0.00000 ***. RY*(10) C 73 0.00002 0.00002 0.00000 ***. RY*(11) C 73 0.00000 0.00000 0.00000 ***. RY*(12) C 73 0.00000 0.00000 0.00000 ***. RY*(13) C 73 0.00001 0.00001 0.00000 ***. RY*(14) C 73 0.00000 0.00000 0.00000 ***. RY*(15) C 73 0.00001 0.00001 0.00000 ***. RY*(16) C 73 0.00000 0.00000 0.00000 ***. RY*(17) C 73 0.00001 0.00001 0.00000 ***. RY*(18) C 73 0.00000 0.00000 0.00000 ***. RY*( 1) H 74 0.00160 0.00159 -0.00001 ***. RY*( 2) H 74 0.00019 0.00019 0.00000 ***. RY*( 3) H 74 0.00013 0.00013 0.00000 ***. RY*( 4) H 74 0.00011 0.00011 0.00000 ***. RY*( 5) H 74 0.00002 0.00002 0.00000 ***. RY*( 1) H 75 0.00160 0.00161 0.00001 ***. RY*( 2) H 75 0.00020 0.00020 0.00000 ***. RY*( 3) H 75 0.00013 0.00013 0.00000 ***. RY*( 4) H 75 0.00011 0.00011 0.00000 ***. RY*( 5) H 75 0.00002 0.00002 0.00000 ***. RY*( 1) H 76 0.00128 0.00128 0.00000 ***. RY*( 2) H 76 0.00017 0.00017 0.00000 ***. RY*( 3) H 76 0.00013 0.00013 0.00000 ***. RY*( 4) H 76 0.00012 0.00012 0.00000 ***. RY*( 5) H 76 0.00003 0.00003 0.00000 ***. RY*( 1) C 77 0.00275 0.00275 0.00000 ***. RY*( 2) C 77 0.00195 0.00195 0.00001 ***. RY*( 3) C 77 0.00073 0.00068 -0.00005 ***. RY*( 4) C 77 0.00038 0.00039 0.00000 ***. RY*( 5) C 77 0.00026 0.00026 0.00000 ***. RY*( 6) C 77 0.00018 0.00018 0.00000 ***. RY*( 7) C 77 0.00016 0.00016 0.00000 ***. RY*( 8) C 77 0.00010 0.00010 0.00000 ***. RY*( 9) C 77 0.00007 0.00007 0.00000 ***. RY*(10) C 77 0.00003 0.00003 0.00000 ***. RY*(11) C 77 0.00001 0.00001 0.00000 ***. RY*(12) C 77 0.00002 0.00002 0.00000 ***. RY*(13) C 77 0.00000 0.00000 0.00000 ***. RY*(14) C 77 0.00000 0.00001 0.00000 ***. RY*(15) C 77 0.00000 0.00000 0.00000 ***. RY*(16) C 77 0.00000 0.00000 0.00000 ***. RY*(17) C 77 0.00001 0.00001 0.00000 ***. RY*(18) C 77 0.00000 0.00000 0.00000 ***. RY*( 1) H 78 0.00267 0.00262 -0.00005 ***. RY*( 2) H 78 0.00049 0.00049 0.00000 ***. RY*( 3) H 78 0.00018 0.00018 0.00000 ***. RY*( 4) H 78 0.00010 0.00010 0.00000 ***. RY*( 5) H 78 0.00005 0.00005 0.00000 ***. RY*( 1) H 79 0.00209 0.00209 0.00000 ***. RY*( 2) H 79 0.00024 0.00024 0.00000 ***. RY*( 3) H 79 0.00014 0.00014 0.00000 ***. RY*( 4) H 79 0.00009 0.00010 0.00000 ***. RY*( 5) H 79 0.00003 0.00003 0.00000 ***. RY*( 1) H 80 0.00179 0.00178 -0.00001 ***. RY*( 2) H 80 0.00027 0.00027 0.00000 ***. RY*( 3) H 80 0.00017 0.00017 0.00000 ***. RY*( 4) H 80 0.00014 0.00014 0.00000 ***. RY*( 5) H 80 0.00002 0.00002 0.00000 ***. RY*( 1) C 81 0.00612 0.00615 0.00003 ***. RY*( 2) C 81 0.00217 0.00218 0.00001 ***. RY*( 3) C 81 0.00163 0.00164 0.00001 ***. RY*( 4) C 81 0.00062 0.00062 0.00000 ***. RY*( 5) C 81 0.00055 0.00055 0.00000 ***. RY*( 6) C 81 0.00043 0.00043 0.00000 ***. RY*( 7) C 81 0.00028 0.00028 0.00000 ***. RY*( 8) C 81 0.00023 0.00023 0.00000 ***. RY*( 9) C 81 0.00017 0.00017 0.00000 ***. RY*(10) C 81 0.00017 0.00016 0.00000 ***. RY*(11) C 81 0.00013 0.00013 0.00000 ***. RY*(12) C 81 0.00011 0.00011 0.00000 ***. RY*(13) C 81 0.00005 0.00005 0.00000 ***. RY*(14) C 81 0.00005 0.00005 0.00000 ***. RY*(15) C 81 0.00002 0.00002 0.00000 ***. RY*(16) C 81 0.00002 0.00002 0.00000 ***. RY*(17) C 81 0.00001 0.00001 0.00000 ***. RY*(18) C 81 0.00001 0.00001 0.00000 ***. RY*( 1) H 82 0.00656 0.00674 0.00018 ***. RY*( 2) H 82 0.00024 0.00024 0.00001 ***. RY*( 3) H 82 0.00020 0.00020 0.00000 ***. RY*( 4) H 82 0.00016 0.00016 0.00000 ***. RY*( 5) H 82 0.00007 0.00007 0.00000 ***. RY*( 1) C 83 0.00703 0.00694 -0.00010 ***. RY*( 2) C 83 0.00395 0.00444 0.00049 ***. RY*( 3) C 83 0.00234 0.00235 0.00001 ***. RY*( 4) C 83 0.00157 0.00159 0.00001 ***. RY*( 5) C 83 0.00064 0.00067 0.00003 ***. RY*( 6) C 83 0.00059 0.00060 0.00000 ***. RY*( 7) C 83 0.00037 0.00039 0.00003 ***. RY*( 8) C 83 0.00033 0.00033 0.00000 ***. RY*( 9) C 83 0.00024 0.00029 0.00006 ***. RY*(10) C 83 0.00014 0.00014 0.00000 ***. RY*(11) C 83 0.00009 0.00009 0.00001 ***. RY*(12) C 83 0.00006 0.00007 0.00001 ***. RY*(13) C 83 0.00004 0.00005 0.00000 ***. RY*(14) C 83 0.00004 0.00004 0.00001 ***. RY*(15) C 83 0.00004 0.00004 0.00000 ***. RY*(16) C 83 0.00001 0.00001 0.00000 ***. RY*(17) C 83 0.00002 0.00002 0.00001 ***. RY*(18) C 83 0.00001 0.00001 0.00000 ***. RY*( 1) C 84 0.00824 0.00853 0.00029 ***. RY*( 2) C 84 0.00529 0.00531 0.00002 ***. RY*( 3) C 84 0.00383 0.00403 0.00019 ***. RY*( 4) C 84 0.00236 0.00241 0.00005 ***. RY*( 5) C 84 0.00060 0.00058 -0.00002 ***. RY*( 6) C 84 0.00055 0.00055 0.00000 ***. RY*( 7) C 84 0.00037 0.00036 -0.00001 ***. RY*( 8) C 84 0.00030 0.00029 -0.00001 ***. RY*( 9) C 84 0.00023 0.00028 0.00004 ***. RY*(10) C 84 0.00015 0.00014 -0.00001 ***. RY*(11) C 84 0.00013 0.00013 0.00000 ***. RY*(12) C 84 0.00008 0.00008 0.00000 ***. RY*(13) C 84 0.00006 0.00006 0.00000 ***. RY*(14) C 84 0.00004 0.00004 0.00000 ***. RY*(15) C 84 0.00003 0.00003 0.00000 ***. RY*(16) C 84 0.00001 0.00001 0.00000 ***. RY*(17) C 84 0.00001 0.00001 0.00000 ***. RY*(18) C 84 0.00001 0.00001 0.00000 ***. RY*( 1) C 85 0.00562 0.00565 0.00003 ***. RY*( 2) C 85 0.00187 0.00189 0.00001 ***. RY*( 3) C 85 0.00129 0.00128 -0.00001 ***. RY*( 4) C 85 0.00094 0.00094 0.00000 ***. RY*( 5) C 85 0.00046 0.00048 0.00002 ***. RY*( 6) C 85 0.00043 0.00043 0.00000 ***. RY*( 7) C 85 0.00028 0.00028 0.00000 ***. RY*( 8) C 85 0.00017 0.00016 0.00000 ***. RY*( 9) C 85 0.00014 0.00014 0.00000 ***. RY*(10) C 85 0.00010 0.00011 0.00001 ***. RY*(11) C 85 0.00003 0.00003 0.00000 ***. RY*(12) C 85 0.00003 0.00003 0.00000 ***. RY*(13) C 85 0.00004 0.00004 0.00000 ***. RY*(14) C 85 0.00001 0.00001 0.00000 ***. RY*(15) C 85 0.00000 0.00000 0.00000 ***. RY*(16) C 85 0.00001 0.00001 0.00000 ***. RY*(17) C 85 0.00000 0.00000 0.00000 ***. RY*(18) C 85 0.00001 0.00001 0.00000 ***. RY*( 1) H 86 0.00304 0.00303 -0.00001 ***. RY*( 2) H 86 0.00029 0.00029 0.00000 ***. RY*( 3) H 86 0.00028 0.00028 0.00000 ***. RY*( 4) H 86 0.00006 0.00007 0.00000 ***. RY*( 5) H 86 0.00004 0.00004 0.00000 ***. RY*( 1) C 87 0.00541 0.00539 -0.00002 ***. RY*( 2) C 87 0.00193 0.00193 0.00000 ***. RY*( 3) C 87 0.00117 0.00118 0.00001 ***. RY*( 4) C 87 0.00081 0.00083 0.00001 ***. RY*( 5) C 87 0.00048 0.00048 0.00000 ***. RY*( 6) C 87 0.00030 0.00030 0.00000 ***. RY*( 7) C 87 0.00018 0.00018 0.00000 ***. RY*( 8) C 87 0.00008 0.00009 0.00000 ***. RY*( 9) C 87 0.00006 0.00005 0.00000 ***. RY*(10) C 87 0.00006 0.00005 0.00000 ***. RY*(11) C 87 0.00003 0.00003 0.00000 ***. RY*(12) C 87 0.00003 0.00003 0.00000 ***. RY*(13) C 87 0.00003 0.00003 0.00000 ***. RY*(14) C 87 0.00001 0.00001 0.00000 ***. RY*(15) C 87 0.00000 0.00000 0.00000 ***. RY*(16) C 87 0.00000 0.00000 0.00000 ***. RY*(17) C 87 0.00001 0.00001 0.00000 ***. RY*(18) C 87 0.00000 0.00000 0.00000 ***. RY*( 1) H 88 0.00189 0.00188 -0.00001 ***. RY*( 2) H 88 0.00025 0.00025 0.00000 ***. RY*( 3) H 88 0.00022 0.00023 0.00000 ***. RY*( 4) H 88 0.00006 0.00006 0.00000 ***. RY*( 5) H 88 0.00004 0.00004 0.00000 ***. RY*( 1) C 89 0.00571 0.00572 0.00001 ***. RY*( 2) C 89 0.00193 0.00193 0.00000 ***. RY*( 3) C 89 0.00122 0.00123 0.00001 ***. RY*( 4) C 89 0.00079 0.00078 0.00000 ***. RY*( 5) C 89 0.00049 0.00049 0.00001 ***. RY*( 6) C 89 0.00044 0.00044 0.00000 ***. RY*( 7) C 89 0.00029 0.00028 0.00000 ***. RY*( 8) C 89 0.00019 0.00018 0.00000 ***. RY*( 9) C 89 0.00013 0.00013 0.00000 ***. RY*(10) C 89 0.00010 0.00010 0.00000 ***. RY*(11) C 89 0.00003 0.00003 0.00000 ***. RY*(12) C 89 0.00003 0.00003 0.00000 ***. RY*(13) C 89 0.00003 0.00003 0.00000 ***. RY*(14) C 89 0.00001 0.00001 0.00000 ***. RY*(15) C 89 0.00001 0.00001 0.00000 ***. RY*(16) C 89 0.00001 0.00001 0.00000 ***. RY*(17) C 89 0.00000 0.00000 0.00000 ***. RY*(18) C 89 0.00001 0.00001 0.00000 ***. RY*( 1) H 90 0.00289 0.00289 0.00000 ***. RY*( 2) H 90 0.00030 0.00030 0.00000 ***. RY*( 3) H 90 0.00024 0.00024 0.00000 ***. RY*( 4) H 90 0.00006 0.00006 0.00000 ***. RY*( 5) H 90 0.00004 0.00004 0.00000 ***. RY*( 1) C 91 0.00894 0.00865 -0.00029 ***. RY*( 2) C 91 0.00544 0.00559 0.00015 ***. RY*( 3) C 91 0.00417 0.00432 0.00015 ***. RY*( 4) C 91 0.00202 0.00200 -0.00002 ***. RY*( 5) C 91 0.00056 0.00056 0.00000 ***. RY*( 6) C 91 0.00046 0.00049 0.00003 ***. RY*( 7) C 91 0.00036 0.00035 -0.00001 ***. RY*( 8) C 91 0.00026 0.00026 0.00001 ***. RY*( 9) C 91 0.00025 0.00027 0.00002 ***. RY*(10) C 91 0.00013 0.00012 -0.00001 ***. RY*(11) C 91 0.00010 0.00010 0.00000 ***. RY*(12) C 91 0.00010 0.00012 0.00002 ***. RY*(13) C 91 0.00006 0.00007 0.00001 ***. RY*(14) C 91 0.00006 0.00006 0.00000 ***. RY*(15) C 91 0.00003 0.00003 0.00000 ***. RY*(16) C 91 0.00001 0.00001 0.00000 ***. RY*(17) C 91 0.00001 0.00001 0.00000 ***. RY*(18) C 91 0.00001 0.00001 0.00000 ***. RY*( 1) C 92 0.00607 0.00606 -0.00001 ***. RY*( 2) C 92 0.00306 0.00312 0.00006 ***. RY*( 3) C 92 0.00179 0.00180 0.00001 ***. RY*( 4) C 92 0.00064 0.00065 0.00001 ***. RY*( 5) C 92 0.00063 0.00060 -0.00002 ***. RY*( 6) C 92 0.00044 0.00044 0.00000 ***. RY*( 7) C 92 0.00030 0.00031 0.00001 ***. RY*( 8) C 92 0.00028 0.00027 0.00000 ***. RY*( 9) C 92 0.00022 0.00023 0.00001 ***. RY*(10) C 92 0.00019 0.00019 0.00000 ***. RY*(11) C 92 0.00012 0.00012 0.00000 ***. RY*(12) C 92 0.00011 0.00012 0.00000 ***. RY*(13) C 92 0.00006 0.00007 0.00001 ***. RY*(14) C 92 0.00003 0.00003 0.00000 ***. RY*(15) C 92 0.00002 0.00002 0.00000 ***. RY*(16) C 92 0.00002 0.00002 0.00000 ***. RY*(17) C 92 0.00002 0.00002 0.00000 ***. RY*(18) C 92 0.00000 0.00000 0.00000 ***. RY*( 1) H 93 0.00655 0.00655 0.00000 ***. RY*( 2) H 93 0.00024 0.00025 0.00001 ***. RY*( 3) H 93 0.00019 0.00021 0.00002 ***. RY*( 4) H 93 0.00013 0.00013 0.00000 ***. RY*( 5) H 93 0.00008 0.00008 0.00000 ***. RY*( 1) C 94 0.00292 0.00292 0.00000 ***. RY*( 2) C 94 0.00231 0.00231 0.00000 ***. RY*( 3) C 94 0.00074 0.00074 0.00000 ***. RY*( 4) C 94 0.00026 0.00026 0.00000 ***. RY*( 5) C 94 0.00018 0.00018 0.00000 ***. RY*( 6) C 94 0.00016 0.00016 0.00000 ***. RY*( 7) C 94 0.00012 0.00012 0.00000 ***. RY*( 8) C 94 0.00008 0.00008 0.00000 ***. RY*( 9) C 94 0.00005 0.00005 0.00000 ***. RY*(10) C 94 0.00003 0.00003 0.00000 ***. RY*(11) C 94 0.00001 0.00001 0.00000 ***. RY*(12) C 94 0.00001 0.00001 0.00000 ***. RY*(13) C 94 0.00001 0.00001 0.00000 ***. RY*(14) C 94 0.00000 0.00000 0.00000 ***. RY*(15) C 94 0.00000 0.00000 0.00000 ***. RY*(16) C 94 0.00000 0.00000 0.00000 ***. RY*(17) C 94 0.00001 0.00001 0.00000 ***. RY*(18) C 94 0.00000 0.00000 0.00000 ***. RY*( 1) H 95 0.00162 0.00162 0.00000 ***. RY*( 2) H 95 0.00022 0.00022 0.00000 ***. RY*( 3) H 95 0.00015 0.00015 0.00000 ***. RY*( 4) H 95 0.00012 0.00012 0.00000 ***. RY*( 5) H 95 0.00002 0.00002 0.00000 ***. RY*( 1) H 96 0.00171 0.00172 0.00001 ***. RY*( 2) H 96 0.00022 0.00022 0.00000 ***. RY*( 3) H 96 0.00013 0.00013 0.00000 ***. RY*( 4) H 96 0.00009 0.00009 0.00000 ***. RY*( 5) H 96 0.00003 0.00003 0.00000 ***. RY*( 1) H 97 0.00205 0.00205 0.00000 ***. RY*( 2) H 97 0.00023 0.00023 0.00000 ***. RY*( 3) H 97 0.00014 0.00014 0.00000 ***. RY*( 4) H 97 0.00011 0.00011 0.00000 ***. RY*( 5) H 97 0.00004 0.00004 0.00000 ***. RY*( 1) C 98 0.00280 0.00282 0.00002 ***. RY*( 2) C 98 0.00208 0.00207 -0.00001 ***. RY*( 3) C 98 0.00083 0.00086 0.00002 ***. RY*( 4) C 98 0.00041 0.00042 0.00001 ***. RY*( 5) C 98 0.00023 0.00024 0.00000 ***. RY*( 6) C 98 0.00018 0.00018 0.00000 ***. RY*( 7) C 98 0.00015 0.00016 0.00001 ***. RY*( 8) C 98 0.00010 0.00010 0.00000 ***. RY*( 9) C 98 0.00007 0.00007 0.00000 ***. RY*(10) C 98 0.00005 0.00005 0.00000 ***. RY*(11) C 98 0.00002 0.00002 0.00000 ***. RY*(12) C 98 0.00001 0.00001 0.00000 ***. RY*(13) C 98 0.00000 0.00000 0.00000 ***. RY*(14) C 98 0.00000 0.00000 0.00000 ***. RY*(15) C 98 0.00000 0.00000 0.00000 ***. RY*(16) C 98 0.00000 0.00000 0.00000 ***. RY*(17) C 98 0.00000 0.00000 0.00000 ***. RY*(18) C 98 0.00000 0.00000 0.00000 ***. RY*( 1) H 99 0.00151 0.00150 -0.00001 ***. RY*( 2) H 99 0.00023 0.00023 0.00000 ***. RY*( 3) H 99 0.00016 0.00016 0.00000 ***. RY*( 4) H 99 0.00010 0.00011 0.00001 ***. RY*( 5) H 99 0.00006 0.00006 0.00000 ***. RY*( 1) H 100 0.00157 0.00158 0.00000 ***. RY*( 2) H 100 0.00021 0.00021 0.00000 ***. RY*( 3) H 100 0.00014 0.00014 0.00000 ***. RY*( 4) H 100 0.00011 0.00011 0.00000 ***. RY*( 5) H 100 0.00002 0.00003 0.00000 ***. RY*( 1) H 101 0.00151 0.00151 0.00000 ***. RY*( 2) H 101 0.00021 0.00021 0.00000 ***. RY*( 3) H 101 0.00013 0.00013 0.00000 ***. RY*( 4) H 101 0.00011 0.00011 0.00000 ***. RY*( 5) H 101 0.00002 0.00002 0.00000 ***. RY*( 1) C 102 0.00605 0.00596 -0.00009 ***. RY*( 2) C 102 0.00253 0.00252 0.00000 ***. RY*( 3) C 102 0.00170 0.00166 -0.00004 ***. RY*( 4) C 102 0.00065 0.00065 0.00000 ***. RY*( 5) C 102 0.00062 0.00053 -0.00009 ***. RY*( 6) C 102 0.00040 0.00040 0.00000 ***. RY*( 7) C 102 0.00032 0.00032 0.00000 ***. RY*( 8) C 102 0.00026 0.00026 0.00000 ***. RY*( 9) C 102 0.00022 0.00022 0.00000 ***. RY*(10) C 102 0.00016 0.00016 0.00000 ***. RY*(11) C 102 0.00011 0.00012 0.00001 ***. RY*(12) C 102 0.00011 0.00011 0.00000 ***. RY*(13) C 102 0.00005 0.00005 0.00000 ***. RY*(14) C 102 0.00003 0.00003 0.00000 ***. RY*(15) C 102 0.00003 0.00003 0.00000 ***. RY*(16) C 102 0.00001 0.00001 0.00000 ***. RY*(17) C 102 0.00000 0.00000 0.00000 ***. RY*(18) C 102 0.00001 0.00001 0.00000 ***. RY*( 1) H 103 0.00420 0.00404 -0.00016 ***. RY*( 2) H 103 0.00031 0.00032 0.00000 ***. RY*( 3) H 103 0.00021 0.00022 0.00000 ***. RY*( 4) H 103 0.00013 0.00013 0.00000 ***. RY*( 5) H 103 0.00008 0.00008 0.00000 ***. RY*( 1) C 104 0.00296 0.00296 0.00000 ***. RY*( 2) C 104 0.00186 0.00186 0.00000 ***. RY*( 3) C 104 0.00067 0.00066 -0.00001 ***. RY*( 4) C 104 0.00024 0.00023 0.00000 ***. RY*( 5) C 104 0.00021 0.00021 0.00001 ***. RY*( 6) C 104 0.00016 0.00016 0.00000 ***. RY*( 7) C 104 0.00013 0.00012 0.00000 ***. RY*( 8) C 104 0.00009 0.00009 0.00001 ***. RY*( 9) C 104 0.00006 0.00006 0.00000 ***. RY*(10) C 104 0.00003 0.00003 0.00000 ***. RY*(11) C 104 0.00001 0.00001 0.00000 ***. RY*(12) C 104 0.00001 0.00001 0.00000 ***. RY*(13) C 104 0.00001 0.00001 0.00000 ***. RY*(14) C 104 0.00000 0.00000 0.00000 ***. RY*(15) C 104 0.00001 0.00001 0.00000 ***. RY*(16) C 104 0.00000 0.00000 0.00000 ***. RY*(17) C 104 0.00001 0.00001 0.00000 ***. RY*(18) C 104 0.00000 0.00000 0.00000 ***. RY*( 1) H 105 0.00158 0.00158 0.00000 ***. RY*( 2) H 105 0.00024 0.00024 0.00000 ***. RY*( 3) H 105 0.00017 0.00016 0.00000 ***. RY*( 4) H 105 0.00011 0.00011 0.00000 ***. RY*( 5) H 105 0.00002 0.00002 0.00000 ***. RY*( 1) H 106 0.00156 0.00156 0.00000 ***. RY*( 2) H 106 0.00023 0.00023 0.00000 ***. RY*( 3) H 106 0.00011 0.00011 0.00000 ***. RY*( 4) H 106 0.00010 0.00010 0.00000 ***. RY*( 5) H 106 0.00003 0.00003 0.00000 ***. RY*( 1) H 107 0.00213 0.00204 -0.00008 ***. RY*( 2) H 107 0.00027 0.00027 0.00000 ***. RY*( 3) H 107 0.00015 0.00015 0.00000 ***. RY*( 4) H 107 0.00010 0.00010 0.00000 ***. RY*( 5) H 107 0.00004 0.00004 0.00000 ***. RY*( 1) C 108 0.00270 0.00270 0.00000 ***. RY*( 2) C 108 0.00198 0.00199 0.00000 ***. RY*( 3) C 108 0.00060 0.00060 0.00000 ***. RY*( 4) C 108 0.00023 0.00023 0.00000 ***. RY*( 5) C 108 0.00017 0.00017 0.00000 ***. RY*( 6) C 108 0.00013 0.00013 0.00000 ***. RY*( 7) C 108 0.00009 0.00009 0.00000 ***. RY*( 8) C 108 0.00005 0.00005 0.00000 ***. RY*( 9) C 108 0.00003 0.00003 0.00000 ***. RY*(10) C 108 0.00001 0.00001 0.00000 ***. RY*(11) C 108 0.00000 0.00000 0.00000 ***. RY*(12) C 108 0.00000 0.00000 0.00000 ***. RY*(13) C 108 0.00001 0.00001 0.00000 ***. RY*(14) C 108 0.00001 0.00001 0.00000 ***. RY*(15) C 108 0.00001 0.00001 0.00000 ***. RY*(16) C 108 0.00000 0.00000 0.00000 ***. RY*(17) C 108 0.00000 0.00000 0.00000 ***. RY*(18) C 108 0.00001 0.00001 0.00000 ***. RY*( 1) H 109 0.00126 0.00126 0.00000 ***. RY*( 2) H 109 0.00020 0.00020 0.00000 ***. RY*( 3) H 109 0.00012 0.00012 0.00000 ***. RY*( 4) H 109 0.00009 0.00009 0.00000 ***. RY*( 5) H 109 0.00004 0.00004 0.00000 ***. RY*( 1) H 110 0.00174 0.00175 0.00001 ***. RY*( 2) H 110 0.00015 0.00015 0.00000 ***. RY*( 3) H 110 0.00013 0.00013 0.00000 ***. RY*( 4) H 110 0.00008 0.00008 0.00000 ***. RY*( 5) H 110 0.00002 0.00002 0.00000 ***. RY*( 1) H 111 0.00188 0.00188 0.00000 ***. RY*( 2) H 111 0.00018 0.00018 0.00000 ***. RY*( 3) H 111 0.00013 0.00013 0.00000 ***. RY*( 4) H 111 0.00010 0.00010 0.00000 ***. RY*( 5) H 111 0.00002 0.00002 0.00000 ***. RY*( 1) C 112 0.00288 0.00288 0.00000 ***. RY*( 2) C 112 0.00196 0.00195 -0.00001 ***. RY*( 3) C 112 0.00052 0.00051 -0.00001 ***. RY*( 4) C 112 0.00026 0.00026 0.00000 ***. RY*( 5) C 112 0.00018 0.00018 0.00000 ***. RY*( 6) C 112 0.00016 0.00016 0.00000 ***. RY*( 7) C 112 0.00011 0.00011 0.00000 ***. RY*( 8) C 112 0.00007 0.00006 0.00000 ***. RY*( 9) C 112 0.00002 0.00002 0.00000 ***. RY*(10) C 112 0.00003 0.00002 0.00000 ***. RY*(11) C 112 0.00001 0.00001 0.00000 ***. RY*(12) C 112 0.00001 0.00001 0.00000 ***. RY*(13) C 112 0.00001 0.00001 0.00000 ***. RY*(14) C 112 0.00001 0.00001 0.00000 ***. RY*(15) C 112 0.00000 0.00000 0.00000 ***. RY*(16) C 112 0.00000 0.00000 0.00000 ***. RY*(17) C 112 0.00000 0.00000 0.00000 ***. RY*(18) C 112 0.00000 0.00000 0.00000 ***. RY*( 1) H 113 0.00179 0.00179 0.00000 ***. RY*( 2) H 113 0.00022 0.00022 0.00000 ***. RY*( 3) H 113 0.00012 0.00012 0.00000 ***. RY*( 4) H 113 0.00009 0.00009 0.00000 ***. RY*( 5) H 113 0.00002 0.00002 0.00000 ***. RY*( 1) H 114 0.00193 0.00194 0.00001 ***. RY*( 2) H 114 0.00020 0.00020 0.00000 ***. RY*( 3) H 114 0.00011 0.00011 0.00000 ***. RY*( 4) H 114 0.00011 0.00011 0.00000 ***. RY*( 5) H 114 0.00004 0.00004 0.00000 ***. RY*( 1) H 115 0.00162 0.00162 0.00000 ***. RY*( 2) H 115 0.00023 0.00023 0.00000 ***. RY*( 3) H 115 0.00015 0.00015 0.00000 ***. RY*( 4) H 115 0.00011 0.00011 0.00000 ***. RY*( 5) H 115 0.00002 0.00002 0.00000 ***. RY*( 1) C 116 0.00291 0.00290 0.00000 ***. RY*( 2) C 116 0.00188 0.00188 0.00001 ***. RY*( 3) C 116 0.00058 0.00059 0.00000 ***. RY*( 4) C 116 0.00024 0.00024 0.00000 ***. RY*( 5) C 116 0.00015 0.00015 0.00000 ***. RY*( 6) C 116 0.00012 0.00012 0.00000 ***. RY*( 7) C 116 0.00009 0.00009 0.00000 ***. RY*( 8) C 116 0.00005 0.00005 0.00000 ***. RY*( 9) C 116 0.00002 0.00002 0.00000 ***. RY*(10) C 116 0.00002 0.00002 0.00000 ***. RY*(11) C 116 0.00000 0.00000 0.00000 ***. RY*(12) C 116 0.00000 0.00000 0.00000 ***. RY*(13) C 116 0.00000 0.00000 0.00000 ***. RY*(14) C 116 0.00000 0.00000 0.00000 ***. RY*(15) C 116 0.00000 0.00000 0.00000 ***. RY*(16) C 116 0.00000 0.00000 0.00000 ***. RY*(17) C 116 0.00000 0.00000 0.00000 ***. RY*(18) C 116 0.00000 0.00000 0.00000 ***. RY*( 1) H 117 0.00142 0.00143 0.00000 ***. RY*( 2) H 117 0.00017 0.00017 0.00000 ***. RY*( 3) H 117 0.00013 0.00013 0.00000 ***. RY*( 4) H 117 0.00010 0.00010 0.00000 ***. RY*( 5) H 117 0.00002 0.00002 0.00000 ***. RY*( 1) H 118 0.00193 0.00193 0.00000 ***. RY*( 2) H 118 0.00015 0.00015 0.00000 ***. RY*( 3) H 118 0.00011 0.00011 0.00000 ***. RY*( 4) H 118 0.00009 0.00009 0.00000 ***. RY*( 5) H 118 0.00002 0.00002 0.00000 ***. RY*( 1) H 119 0.00171 0.00170 0.00000 ***. RY*( 2) H 119 0.00018 0.00018 0.00000 ***. RY*( 3) H 119 0.00013 0.00013 0.00000 ***. RY*( 4) H 119 0.00011 0.00011 0.00000 ***. RY*( 5) H 119 0.00002 0.00002 0.00000 ***. BD*( 1)As 1Ge 3 0.05240 0.05305 0.00065 ***. BD*( 1)As 1 C 4 0.06303 0.06266 -0.00037 ***. BD*( 1)As 1 C 33 0.04949 0.04947 -0.00002 ***. BD*( 1)As 2Ge 3 0.05431 0.05470 0.00039 ***. BD*( 1)As 2 C 62 0.06443 0.06409 -0.00034 ***. BD*( 1)As 2 C 83 0.05025 0.05009 -0.00016 ***. BD*( 1) C 4 C 5 0.03067 0.03055 -0.00012 ***. BD*( 2) C 4 C 5 0.37221 0.37180 -0.00041 ***. BD*( 1) C 4 C 12 0.02941 0.02950 0.00008 ***. BD*( 1) C 5 C 6 0.02861 0.02863 0.00002 ***. BD*( 1) C 5 C 13 0.03573 0.03575 0.00002 ***. BD*( 1) C 6 H 7 0.01761 0.01759 -0.00001 ***. BD*( 1) C 6 C 8 0.01645 0.01646 0.00000 ***. BD*( 2) C 6 C 8 0.33290 0.33275 -0.00016 ***. BD*( 1) C 8 H 9 0.01579 0.01579 0.00000 ***. BD*( 1) C 8 C 10 0.01665 0.01665 0.00000 ***. BD*( 1) C 10 H 11 0.01738 0.01737 -0.00001 ***. BD*( 1) C 10 C 12 0.02840 0.02843 0.00003 ***. BD*( 2) C 10 C 12 0.33911 0.33922 0.00011 ***. BD*( 1) C 12 C 23 0.03567 0.03566 -0.00001 ***. BD*( 1) C 13 H 14 0.02505 0.02425 -0.00080 ***. BD*( 1) C 13 C 15 0.01775 0.01761 -0.00015 ***. BD*( 1) C 13 C 19 0.01974 0.01972 -0.00002 ***. BD*( 1) C 15 H 16 0.01039 0.01029 -0.00010 ***. BD*( 1) C 15 H 17 0.00711 0.00711 0.00000 ***. BD*( 1) C 15 H 18 0.00663 0.00662 -0.00001 ***. BD*( 1) C 19 H 20 0.00731 0.00732 0.00001 ***. BD*( 1) C 19 H 21 0.00788 0.00789 0.00000 ***. BD*( 1) C 19 H 22 0.01079 0.01099 0.00020 ***. BD*( 1) C 23 H 24 0.02378 0.02358 -0.00020 ***. BD*( 1) C 23 C 25 0.01578 0.01577 -0.00001 ***. BD*( 1) C 23 C 29 0.01890 0.01895 0.00005 ***. BD*( 1) C 25 H 26 0.01044 0.01043 -0.00001 ***. BD*( 1) C 25 H 27 0.00655 0.00654 0.00000 ***. BD*( 1) C 25 H 28 0.00736 0.00736 0.00000 ***. BD*( 1) C 29 H 30 0.00715 0.00720 0.00004 ***. BD*( 1) C 29 H 31 0.00763 0.00761 -0.00002 ***. BD*( 1) C 29 H 32 0.00984 0.00981 -0.00003 ***. BD*( 1) C 33 C 34 0.03436 0.03428 -0.00008 ***. BD*( 2) C 33 C 34 0.42038 0.42140 0.00102 ***. BD*( 1) C 33 C 41 0.03105 0.03130 0.00025 ***. BD*( 1) C 34 C 35 0.03003 0.02941 -0.00062 ***. BD*( 1) C 34 C 42 0.03588 0.03563 -0.00026 ***. BD*( 1) C 35 H 36 0.01780 0.01770 -0.00011 ***. BD*( 1) C 35 C 37 0.01664 0.01664 -0.00001 ***. BD*( 2) C 35 C 37 0.31911 0.32218 0.00308 ***. BD*( 1) C 37 H 38 0.01579 0.01581 0.00002 ***. BD*( 1) C 37 C 39 0.01681 0.01681 0.00000 ***. BD*( 1) C 39 H 40 0.01762 0.01757 -0.00005 ***. BD*( 1) C 39 C 41 0.02955 0.02961 0.00007 ***. BD*( 2) C 39 C 41 0.31471 0.31864 0.00393 ***. BD*( 1) C 41 C 52 0.03589 0.03574 -0.00015 ***. BD*( 1) C 42 H 43 0.02305 0.02297 -0.00008 ***. BD*( 1) C 42 C 44 0.02111 0.02118 0.00007 ***. BD*( 1) C 42 C 48 0.01770 0.01772 0.00002 ***. BD*( 1) C 44 H 45 0.00920 0.00920 0.00000 ***. BD*( 1) C 44 H 46 0.00702 0.00713 0.00011 ***. BD*( 1) C 44 H 47 0.00821 0.00823 0.00002 ***. BD*( 1) C 48 H 49 0.00819 0.00836 0.00017 ***. BD*( 1) C 48 H 50 0.00702 0.00709 0.00007 ***. BD*( 1) C 48 H 51 0.01031 0.01031 0.00000 ***. BD*( 1) C 52 H 53 0.02649 0.02650 0.00001 ***. BD*( 1) C 52 C 54 0.01781 0.01788 0.00007 ***. BD*( 1) C 52 C 58 0.01938 0.01951 0.00012 ***. BD*( 1) C 54 H 55 0.01071 0.01073 0.00002 ***. BD*( 1) C 54 H 56 0.00661 0.00660 -0.00001 ***. BD*( 1) C 54 H 57 0.00701 0.00704 0.00003 ***. BD*( 1) C 58 H 59 0.00677 0.00676 -0.00001 ***. BD*( 1) C 58 H 60 0.00745 0.00749 0.00005 ***. BD*( 1) C 58 H 61 0.00893 0.00893 0.00000 ***. BD*( 1) C 62 C 63 0.03097 0.03085 -0.00012 ***. BD*( 2) C 62 C 63 0.37865 0.37862 -0.00002 ***. BD*( 1) C 62 C 70 0.02970 0.02981 0.00011 ***. BD*( 1) C 63 C 64 0.02854 0.02855 0.00000 ***. BD*( 1) C 63 C 71 0.03573 0.03575 0.00002 ***. BD*( 1) C 64 H 65 0.01747 0.01745 -0.00001 ***. BD*( 1) C 64 C 66 0.01637 0.01638 0.00001 ***. BD*( 2) C 64 C 66 0.34106 0.34117 0.00012 ***. BD*( 1) C 66 H 67 0.01579 0.01579 0.00000 ***. BD*( 1) C 66 C 68 0.01653 0.01653 0.00000 ***. BD*( 1) C 68 H 69 0.01758 0.01758 0.00000 ***. BD*( 1) C 68 C 70 0.02889 0.02891 0.00001 ***. BD*( 2) C 68 C 70 0.34472 0.34511 0.00039 ***. BD*( 1) C 70 C 81 0.03578 0.03576 -0.00001 ***. BD*( 1) C 71 H 72 0.02482 0.02417 -0.00065 ***. BD*( 1) C 71 C 73 0.01797 0.01784 -0.00013 ***. BD*( 1) C 71 C 77 0.01976 0.01974 -0.00002 ***. BD*( 1) C 73 H 74 0.01032 0.01023 -0.00009 ***. BD*( 1) C 73 H 75 0.00717 0.00717 0.00000 ***. BD*( 1) C 73 H 76 0.00668 0.00667 -0.00001 ***. BD*( 1) C 77 H 78 0.00717 0.00718 0.00001 ***. BD*( 1) C 77 H 79 0.00778 0.00778 0.00001 ***. BD*( 1) C 77 H 80 0.01060 0.01076 0.00016 ***. BD*( 1) C 81 H 82 0.02585 0.02585 -0.00001 ***. BD*( 1) C 81 C 112 0.01845 0.01844 -0.00001 ***. BD*( 1) C 81 C 116 0.01852 0.01853 0.00001 ***. BD*( 1) C 83 C 84 0.03382 0.03377 -0.00006 ***. BD*( 2) C 83 C 84 0.40542 0.40588 0.00046 ***. BD*( 1) C 83 C 91 0.03103 0.03135 0.00032 ***. BD*( 1) C 84 C 85 0.02977 0.02928 -0.00048 ***. BD*( 1) C 84 C 92 0.03631 0.03615 -0.00016 ***. BD*( 1) C 85 H 86 0.01781 0.01773 -0.00008 ***. BD*( 1) C 85 C 87 0.01668 0.01668 0.00000 ***. BD*( 2) C 85 C 87 0.32427 0.32698 0.00271 ***. BD*( 1) C 87 H 88 0.01584 0.01586 0.00003 ***. BD*( 1) C 87 C 89 0.01678 0.01678 0.00001 ***. BD*( 1) C 89 H 90 0.01767 0.01764 -0.00003 ***. BD*( 1) C 89 C 91 0.02962 0.02981 0.00018 ***. BD*( 2) C 89 C 91 0.31994 0.32330 0.00335 ***. BD*( 1) C 91 C 102 0.03579 0.03571 -0.00008 ***. BD*( 1) C 92 H 93 0.02314 0.02308 -0.00006 ***. BD*( 1) C 92 C 94 0.02078 0.02088 0.00009 ***. BD*( 1) C 92 C 98 0.01785 0.01788 0.00003 ***. BD*( 1) C 94 H 95 0.00912 0.00914 0.00002 ***. BD*( 1) C 94 H 96 0.00727 0.00736 0.00009 ***. BD*( 1) C 94 H 97 0.00789 0.00791 0.00002 ***. BD*( 1) C 98 H 99 0.00864 0.00892 0.00028 ***. BD*( 1) C 98 H 100 0.00719 0.00727 0.00008 ***. BD*( 1) C 98 H 101 0.01038 0.01039 0.00000 ***. BD*( 1) C 102 H 103 0.02655 0.02657 0.00002 ***. BD*( 1) C 102 C 104 0.01806 0.01813 0.00006 ***. BD*( 1) C 102 C 108 0.01921 0.01931 0.00010 ***. BD*( 1) C 104 H 105 0.01068 0.01070 0.00002 ***. BD*( 1) C 104 H 106 0.00676 0.00675 0.00000 ***. BD*( 1) C 104 H 107 0.00714 0.00718 0.00004 ***. BD*( 1) C 108 H 109 0.00701 0.00701 0.00000 ***. BD*( 1) C 108 H 110 0.00746 0.00749 0.00003 ***. BD*( 1) C 108 H 111 0.00889 0.00889 0.00000 ***. BD*( 1) C 112 H 113 0.00763 0.00763 0.00000 ***. BD*( 1) C 112 H 114 0.00694 0.00694 0.00000 ***. BD*( 1) C 112 H 115 0.00961 0.00964 0.00003 ***. BD*( 1) C 116 H 117 0.00647 0.00647 -0.00001 ***. BD*( 1) C 116 H 118 0.00717 0.00716 -0.00001 ***. BD*( 1) C 116 H 119 0.00936 0.00934 -0.00002 NEXT STEP: Evaluate the energy of the new density matrix that has been constructed from the deleted NBO Fock matrix by doing one SCF cycle. Leave Link 607 at Sat Mar 11 14:17:36 2017, MaxMem= 2147483648 cpu: 453.8 (Enter /share/apps/Gaussian/g09/l502.exe) Closed shell SCF: Density fitting will be used, IDenFit= 2 NucTyp= 0. Integral symmetry usage will be decided dynamically. IVT= 9396832 IEndB= 9396832 NGot= 2147483648 MDV= 2141210872 LenX= 2141210872 LenY= 2138086816 Requested convergence on RMS density matrix=1.00D-08 within 1 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 1 cycles. Cycle 1 Pass 1 IDiag 1: FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 2001 NFxFlg= 0 DoJE=T BraDBF=T KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 5 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 4 FoldK=F IRaf= 740000000 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0. E= -8421.19235681357 Gap= 0.068 Goal= None Shift= 0.000 RMSDP=3.39D-04 MaxDP=6.35D-02 OVMax= 1.44D-02 >>>>>>>>>> Convergence criterion not met. SCF Done: E(RB97D) = -8421.19235681 A.U. after 2 cycles NFock= 1 Conv=0.34D-03 -V/T= 2.0021 KE= 8.403644082779D+03 PE=-4.257882912652D+04 EE= 1.446817406710D+04 Leave Link 502 at Sat Mar 11 14:18:17 2017, MaxMem= 2147483648 cpu: 326.0 (Enter /share/apps/Gaussian/g09/l607.exe) ------------------------------------------------------------------------------ Energy of deletion : -8421.192356814 Total SCF energy : -8421.261431525 ------------------- Energy change : 0.069075 a.u., 43.345 kcal/mol ------------------------------------------------------------------------------ Leave Link 607 at Sat Mar 11 14:18:18 2017, MaxMem= 2147483648 cpu: 5.6 (Enter /share/apps/Gaussian/g09/l607.exe) Leave Link 607 at Sat Mar 11 14:18:19 2017, MaxMem= 2147483648 cpu: 6.6 (Enter /share/apps/Gaussian/g09/l9999.exe) This type of calculation cannot be archived. The mind is not a vessel to be filled but a fire to be kindled. -- Plutarch Job cpu time: 0 days 1 hours 16 minutes 41.4 seconds. File lengths (MBytes): RWF= 1841 Int= 0 D2E= 0 Chk= 578 Scr= 1 Normal termination of Gaussian 09 at Sat Mar 11 14:18:20 2017.