Gaussian 16 2-Jul-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 1080 1080 2160 (5D, 7F) VSTO-6G 1614 C1[X(C540)] RZINDO CIS STO-3G SP #pzindo(singlets,root=1,add=150,read) pop=full scrf=(pcm,solvent=EthylEthanoate) 6485.777999999937 0 1 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g16 /home/programes/qq/gaussian/g16.A03/g16/l1.exe "/scratch/76393/Gau-8872.inp" -scrdir="/scratch/76393/" chk=c60.chk mem=64000MB #p zindo(singlets,root=1,add=150,read) pop=full scrf=(pcm,solvent=Ethy 1/38=1,172=1/1 2/12=2,17=6,18=5,40=1/2 3/5=2,25=1,41=400000,70=2201,72=118/1,2,3,8 4/5=3,35=1/1 5/5=2,35=1,38=5,53=118/2 8/6=1,107=1/1 9/8=1,39=150,42=1,48=1,49=13/14 6/7=3/1 99/5=1,9=1/99 C1M 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 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-0.0000000 -0.0000000 -0.0000000 (Enter /home/programes/qq/gaussian/g16.A03/g16/l101.exe) 0.10000e-02 0.10000e-05 F 2160 A 2160 A 12960 2160 122334.9947038195 IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 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. Generate ZINDO/S integrals. NDO Nuclear repulsion=121053.332584166900 Hartrees. 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6,-,3787;7,9481,,1158,,9098;9,7546,-,8382,-1,0519;10,5540,,2335,-3,0918;9,1726,,5304,-3,4788;8,1427,,1713,-2,6399;10,8336,-,4808,-1,9454;12,7629,,9871,-1,5032;12,4515,1,6847,-2,7418;11,4101,1,2983,-3,5642;11,8966,-,0165,-1,1153;12,0280,,7378,1,2758;12,7947,1,8683,,8049;13,2045,1,9597,-,5351;11,5538,-,1481,,3141;9,3205,-,2269,1,2920;9,7935,,7455,2,2645;11,0740,1,2357,2,2780;10,2031,-,6771,,3448;-10,9152,6,2421,-2,8844;-10,4236,7,0522,-1,7762;-10,8300,4,8675,-2,7535;-9,9064,6,4576,-,6357;-8,7291,7,0423,,0205;-9,7922,8,2528,-2,3054;-8,6171,8,7808,-1,7703;-8,1323,8,1759,-,5139;-10,0439,4,7343,-5,0906;-10,1883,6,1803,-5,2076;-10,3467,4,1229,-3,8882;-10,6247,6,9308,-4,1334;-9,9494,8,1902,-3,7725;-9,0561,6,6281,-6,0230;-8,3861,7,7560,-5,6278;-8,8131,8,5649,-4,4829;-8,4781,2,5708,-4,1555;-8,1038,3,2194,-5,3882;-9,6018,2,9475,-3,4253;-8,8854,4,2591,-5,8431;-8,2816,5,4751,-6,4252;-6,6512,3,2911,-5,5412;-6,0791,4,4578,-5,9908;-6,9178,5,5529,-6,4697;-8,3304,2,7578,-1,3279;-7,1737,2,3318,-2,0671;-9,5284,3,0503,-1,9745;-7,2554,2,2332,-3,4594;-6,1568,2,7736,-4,2606;-5,9920,2,8927,-1,4428;-4,9364,3,3619,-2,2347;-5,0128,3,3100,-3,6860;-9,8462,5,0187,-,5105;-8,5917,4,7141,,1654;-10,3135,4,2109,-1,5419;-7,8705,3,6402,-,2653;-6,3955,3,6540,-,2844;-7,8881,5,9395,,5054;-6,5132,6,0428,,4060;-5,7488,4,8541,,0289;-3,9134,5,2794,-3,1673;-4,2819,4,6095,-1,9306;-4,6739,5,3489,-,8545;-3,9345,6,6604,-3,2315;-4,9724,6,5179,-5,4758;-4,8958,5,0459,-5,3990;-4,3832,4,4708,-4,2486;-4,5174,7,3019,-4,4034;-6,5037,8,6880,-4,6181;-6,9420,7,9082,-5,7415;-6,2065,6,8173,-6,1827;-5,2940,8,4667,-3,9852;-6,3218,9,0099,-1,8484;-7,5674,9,3518,-2,5635;-7,6513,9,2650,-3,9398;-5,1865,8,5949,-2,5486;-4,6701,6,7943,-,9129;-5,8871,7,2129,-,1766;-6,6871,8,2375,-,6604;-4,3506,7,4701,-2,0731;3,2426,7,4303,2,6188;2,8986,6,2706,1,7909;2,2228,8,2345,3,1210;1,6069,5,9691,1,5227;1,2041,5,5288,,2020;3,8583,6,2079,,6916;3,4782,5,7386,-,5416;2,1056,5,4263,-,8256;3,4365,10,2932,2,5610;4,5061,9,4482,2,0210;2,3065,9,7007,3,1082;4,3960,8,0762,1,9976;4,8625,7,2425,,8891;5,0389,10,1402,,8657;5,4707,9,4050,-,2204;5,2356,7,9613,-,2204;,8559,11,3400,1,9771;2,0474,12,0188,1,4495;,9972,10,2501,2,7818;3,3051,11,4951,1,7121;4,2798,11,3806,,6409;1,7199,12,4349,,0918;2,6606,12,3799,-,9405;3,9687,11,8322,-,6280;-,9363,9,2115,1,6562;-1,1188,10,3712,,8065;,0762,9,1339,2,5813;-,2121,11,4154,,9707;,3428,12,0574,-,2069;-1,5398,9,9199,-,5211;-1,0043,10,5363,-1,6072;-,0404,11,6347,-1,4628;,5171,6,7429,2,1130;-,5000,6,8563,1,0854;,8185,7,8892,2,8571;-1,1817,8,0320,,8316;-1,6223,8,4519,-,4944;-,1078,6,0569,-,0839;-,4434,6,4814,-1,3612;-1,2207,7,7109,-1,5929;,6380,10,3917,-3,2907;-,5387,9,7375,-2,7542;-,7320,8,3624,-2,7994;1,6416,9,6453,-3,8129;3,3476,11,0647,-2,7637;2,2824,11,8860,-2,2556;,9795,11,5548,-2,4907;3,0650,9,9871,-3,5941;4,7454,8,6786,-2,3635;5,1221,9,8653,-1,5637;4,4089,11,0164,-1,7534;3,7857,8,7451,-3,3232;3,0015,6,4779,-2,7118;4,0611,6,3982,-1,6909;4,9130,7,4902,-1,5447;2,8230,7,6492,-3,4317;,3869,7,5841,-3,2569;,5558,6,3940,-2,4240;1,8082,5,8441,-2,1928;1,5236,8,2095,-3,7148;3,7326,-,7956,4,4386;2,4396,-,3478,3,9267;3,7929,-1,3642,5,6720;1,3411,-,5285,4,7363;,4005,,5787,4,9113;2,6345,,9104,3,2565;1,7336,1,9328,3,3747;,5414,1,7650,4,2370;5,9288,-,2847,6,1558;5,8453,,3563,4,8404;4,9310,-1,1386,6,5521;4,7484,,1415,4,0081;4,0733,1,1855,3,2513;6,2919,1,7396,5,0147;5,6610,2,7478,4,3283;4,5400,2,4543,3,4385;4,9878,-,2778,8,8412;6,0126,,7050,8,4156;4,4370,-1,1381,7,9251;6,4261,,7064,7,0927;6,6964,1,9449,6,3850;5,7348,1,9484,9,0575;5,9684,3,1361,8,3825;6,4299,3,1375,6,9911;2,1779,-,7858,8,7795;2,7024,,1772,9,7034;3,0169,-1,4497,7,9099;4,0853,,4007,9,7539;4,5460,1,7629,9,8958;1,7170,1,2583,9,8791;2,2020,2,5585,9,9827;3,6318,2,7879,9,9726;1,3933,-1,1693,6,0473;,5101,-,4857,6,9589;2,6143,-1,5905,6,5045;,8900,-,3159,8,2769;,6209,,9402,8,9482;-,1557,,6125,6,2509;-,4574,1,7857,6,8791;0,1,9840,8,2367;2,5784,4,6006,8,7926;1,5639,3,6661,9,2590;,5364,3,3349,8,3850;2,4208,5,1831,7,5479;4,8240,4,8135,7,1651;4,9815,4,2105,8,5002;3,8359,4,0360,9,2361;3,6142,5,3534,6,7216;4,0964,4,5400,4,4845;5,3812,4,0320,4,9397;5,7452,4,1833,6,2568;3,2187,5,1897,5,3342;1,2992,3,9878,4,4448;2,1908,3,3085,3,5187;3,5787,3,5498,3,5566;1,7825,4,9400,5,3209;,3637,3,9650,7,0903;-,2172,3,0183,6,1590;,2389,3,0578,4,8514;1,3000,4,8980,6,7020; 0.0014949 0.0011936 0.0010478 1 Closed 1 1 1 -3013.81693660791 -3025.38795223594 -11.571015628026 -3026.15004298375 -0.762090747812 -3026.16715849013 -0.017115506387 -3026.16972469578 -0.002566205643 -3026.17067472017 -0.000950024390 -3026.17080240340 -0.000127683234 -3026.17082210690 -0.000019703497 -3026.17082870199 -0.000006595088 -3026.17082971703 -0.000001015040 -3026.17082991610 -0.000000199070 -3026.17082992692 -0.000000010827 -3026.17082993771 -0.000000010783 -3026.17082993394 0.000000003769 -3026.17082993341 0.000000000524 -3026.17082993 15 -2.464660140708e+05 4.299820284359e-05 1.223865106137e+05 Using DIIS extrapolation, IDIIS= 1040. Overlap will be assumed to be unity. NGot= 8388608000 LenX= 8379181048 LenY= 8374513288 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. 1 Singlet-A 1.9978 620.60 0.0015 0.000 1070 1081 0.16058 1071 1081 0.15845 1072 1081 0.15502 1073 1081 0.13568 1074 1081 -0.13413 1075 1081 0.11453 1076 1081 -0.12435 1077 1081 -0.18513 1079 1081 0.25056 1080 1081 -0.11609 -3026.09741148 2 Singlet-A 2.0777 596.74 0.0033 0.000 1070 1082 0.12811 1077 1082 -0.13277 1079 1081 0.10120 1079 1082 0.16722 1079 1088 -0.10503 1079 1098 -0.10334 1080 1081 -0.11116 1080 1082 -0.12637 3 Singlet-A 2.0892 593.46 0.0004 0.000 1062 1083 -0.12801 1065 1083 -0.11863 1073 1083 -0.12419 1075 1083 0.18632 1075 1085 0.12007 1077 1083 -0.13474 1078 1083 -0.16857 1078 1085 -0.11154 4 Singlet-A 2.0916 592.78 0.0012 0.000 1080 1081 0.12857 1080 1082 0.10499 1080 1083 -0.15321 1080 1088 0.14338 1080 1089 0.18035 1080 1093 -0.12897 1080 1099 -0.17685 1080 1102 -0.12865 1080 1104 -0.11377 5 Singlet-A 2.1124 586.94 0.0007 0.000 1073 1084 -0.12547 1078 1084 -0.11035 1078 1085 -0.10290 1079 1084 0.18174 1079 1085 0.12761 1080 1084 -0.12316 6 Singlet-A 2.1142 586.42 0.0004 0.000 1076 1083 -0.10491 1076 1084 -0.13486 1076 1085 0.15593 1076 1090 0.10328 1076 1093 0.10588 1076 1096 0.10873 7 Singlet-A 2.1310 581.80 0.0033 0.000 1080 1084 -0.17956 1080 1085 0.12464 1080 1086 0.24964 1080 1094 0.12771 1080 1097 -0.12318 8 Singlet-A 2.1345 580.85 0.0005 0.000 1055 1086 -0.11321 1058 1086 -0.10400 1063 1086 0.10352 1074 1086 -0.12388 1076 1084 0.10391 1076 1086 0.17240 1076 1102 -0.10026 9 Singlet-A 2.1461 577.72 0.0004 0.000 1049 1087 -0.12424 1065 1090 -0.10429 1067 1084 0.10265 1067 1088 -0.12191 1067 1089 0.13968 1067 1090 0.15980 1067 1091 0.14224 10 Singlet-A 2.1463 577.68 0.0033 0.000 1061 1081 -0.10141 1063 1081 -0.20113 1066 1081 0.10039 1068 1081 -0.12329 1069 1081 0.14809 1070 1081 0.22338 1071 1081 0.14482 1076 1081 0.11390 11 Singlet-A 2.1472 577.43 0.0001 0.000 1067 1096 0.12093 1069 1096 0.11459 1072 1096 -0.13159 1074 1096 -0.15477 12 Singlet-A 2.1598 574.06 0.0003 0.000 1066 1091 0.10613 1068 1091 0.15063 1073 1091 -0.12438 13 Singlet-A 2.1604 573.88 0.0035 0.000 1040 1083 0.10794 1065 1083 0.16998 1065 1085 0.11132 1066 1083 -0.13247 1070 1083 0.14675 1080 1083 0.15497 14 Singlet-A 2.1636 573.06 0.0004 0.000 1077 1084 0.16273 1077 1085 0.10116 1078 1084 -0.12615 1078 1089 0.10686 15 Singlet-A 2.1671 572.13 0.0015 0.000 1058 1086 0.10498 1068 1086 -0.09942 1070 1086 0.10644 16 Singlet-A 2.1678 571.94 0.0012 0.000 1052 1092 -0.14632 1060 1092 0.10656 1064 1092 0.11414 1066 1092 0.11312 1071 1092 -0.11444 1074 1092 0.17847 1076 1092 -0.10285 1079 1092 0.12346 17 Singlet-A 2.1699 571.39 0.0045 0.000 1065 1087 -0.18118 1067 1087 0.24962 1072 1087 0.10547 1075 1087 0.10051 1078 1087 0.11543 18 Singlet-A 2.1717 570.92 0.0005 0.000 1067 1085 0.12078 1067 1087 0.11492 1072 1096 -0.10375 19 Singlet-A 2.1767 569.61 0.0010 0.000 1060 1090 0.13343 1061 1089 -0.10192 1061 1090 0.17680 1061 1093 -0.11515 1062 1090 0.13473 1068 1090 0.10218 1073 1090 -0.11979 1074 1090 -0.11879 20 Singlet-A 2.1805 568.60 0.0021 0.000 1037 1081 -0.12845 1038 1081 0.14144 1044 1081 0.14144 1056 1081 -0.12385 1064 1081 -0.14822 1066 1081 0.10984 21 Singlet-A 2.1923 565.55 0.0001 0.000 1054 1083 -0.12118 1065 1099 0.11983 1070 1099 0.10200 22 Singlet-A 2.1987 563.90 0.0009 0.000 1052 1082 0.10811 1053 1082 0.15802 1055 1082 -0.11625 1063 1082 -0.14952 23 Singlet-A 2.1995 563.70 0.0033 0.000 1078 1095 -0.10673 1079 1098 0.10847 24 Singlet-A 2.2006 563.42 0.0012 0.000 1053 1082 0.12301 1063 1098 0.10075 1079 1082 0.12574 25 Singlet-A 2.2018 563.10 0.0003 0.000 1079 1095 0.11983 1079 1101 -0.12072 1080 1105 0.10907 26 Singlet-A 2.2045 562.42 0.0010 0.000 1077 1089 0.10711 1077 1090 0.12558 27 Singlet-A 2.2087 561.34 0.0013 0.000 1051 1095 -0.10891 1061 1095 0.10548 1073 1095 0.16136 28 Singlet-A 2.2121 560.49 0.0006 0.000 1055 1106 0.11534 1075 1094 -0.10134 29 Singlet-A 2.2174 559.15 0.0023 0.000 1055 1094 0.16398 1057 1094 0.10417 1075 1094 -0.11597 30 Singlet-A 2.2193 558.67 0.0001 0.000 1050 1086 -0.11806 1051 1086 -0.12525 1080 1105 -0.12928 31 Singlet-A 2.2268 556.79 0.0005 0.000 1072 1094 -0.10709 1072 1101 -0.11168 1072 1103 0.12721 1074 1094 -0.12903 1076 1093 0.10625 32 Singlet-A 2.2269 556.76 0.0008 0.000 1045 1091 -0.10079 1071 1091 0.11407 33 Singlet-A 2.2332 555.19 0.0005 0.000 1066 1091 0.11448 34 Singlet-A 2.2337 555.07 0.0018 0.000 1050 1097 -0.09312 1066 1097 -0.09363 1079 1097 -0.10145 35 Singlet-A 2.2359 554.52 0.0008 0.000 1057 1092 -0.12767 1061 1092 -0.12527 1062 1092 0.18339 36 Singlet-A 2.2396 553.61 0.0002 0.000 1049 1087 -0.18443 1059 1087 0.14884 1060 1087 -0.10345 1061 1087 0.10895 1062 1087 0.15716 1064 1087 0.11119 1067 1087 0.10116 37 Singlet-A 2.2497 551.11 0.0020 0.000 1072 1088 0.13526 1072 1093 0.17664 1072 1101 0.11663 1072 1103 -0.14038 38 Singlet-A 2.2543 549.98 0.0004 0.000 1051 1087 -0.13026 1059 1087 0.21074 39 Singlet-A 2.2556 549.66 0.0029 0.000 1037 1083 0.11409 1069 1083 0.10682 40 Singlet-A 2.2574 549.23 0.0006 0.000 1043 1095 -0.13324 1071 1095 0.12887 41 Singlet-A 2.2634 547.77 0.0017 0.000 1080 1086 -0.09548 42 Singlet-A 2.2674 546.82 0.0009 0.000 1063 1105 -0.11138 1066 1102 -0.10535 1068 1096 0.10107 1068 1102 0.13188 43 Singlet-A 2.2693 546.35 0.0019 0.000 1055 1092 0.12024 1072 1092 0.10469 1074 1092 -0.11160 44 Singlet-A 2.2726 545.56 0.0002 0.000 1053 1081 -0.10096 1066 1086 -0.10585 45 Singlet-A 2.2752 544.93 0.0024 0.000 1050 1081 -0.10610 1052 1081 0.11020 1053 1081 0.19969 1053 1082 -0.11292 1055 1081 -0.11539 1063 1081 -0.11817 46 Singlet-A 2.2765 544.62 0.0001 0.000 1062 1092 0.12102 1069 1094 0.11401 1074 1094 0.10565 1075 1092 0.10259 47 Singlet-A 2.2777 544.34 0.0004 0.000 1060 1090 0.10870 1064 1091 -0.10481 1066 1091 0.16268 1068 1091 0.10122 48 Singlet-A 2.2946 540.33 0.0012 0.000 1052 1086 0.13472 1064 1086 0.13486 49 Singlet-A 2.2969 539.80 0.0011 0.000 1050 1097 0.12686 1076 1097 0.13695 50 Singlet-A 2.3011 538.79 0.0040 0.000 1075 1107 0.12918 1077 1107 0.14960 51 Singlet-A 2.3029 538.37 0.0013 0.000 1043 1107 -0.09351 1071 1107 0.09576 52 Singlet-A 2.3041 538.11 0.0020 0.000 1065 1094 0.10030 1071 1094 0.11961 53 Singlet-A 2.3049 537.93 0.0009 0.000 1045 1094 -0.10612 54 Singlet-A 2.3091 536.94 0.0042 0.000 1072 1096 -0.09082 55 Singlet-A 2.3165 535.22 0.0002 0.000 1041 1090 -0.13913 1041 1091 0.13388 1047 1091 0.11233 1054 1091 -0.10840 1056 1090 0.10171 1056 1091 -0.12158 1057 1091 0.12689 1060 1091 0.16593 56 Singlet-A 2.3201 534.39 0.0005 0.000 1061 1096 0.10166 1067 1096 0.12293 57 Singlet-A 2.3276 532.68 0.0014 0.000 1076 1096 0.13478 58 Singlet-A 2.3303 532.04 0.0047 0.000 1048 1082 -0.14394 1051 1082 -0.10547 1053 1082 0.16821 1053 1095 0.11160 1053 1098 -0.16020 59 Singlet-A 2.3419 529.41 0.0015 0.000 1039 1095 -0.12970 1049 1095 -0.12024 1077 1095 0.10800 1077 1107 0.11503 1079 1095 -0.10202 60 Singlet-A 2.3479 528.06 0.0041 0.000 1046 1106 -0.08681 1075 1099 -0.08157 1078 1088 0.07825 61 Singlet-A 2.3509 527.39 0.0036 0.000 1046 1099 0.13270 1046 1106 0.14009 62 Singlet-A 2.3517 527.21 0.0006 0.000 1058 1092 -0.11402 1058 1094 -0.12682 1060 1092 0.15995 1060 1094 0.13064 1069 1092 -0.11927 63 Singlet-A 2.3521 527.12 0.0011 0.000 1077 1107 0.13150 64 Singlet-A 2.3524 527.05 0.0013 0.000 1041 1090 0.13163 1060 1091 0.11516 1066 1090 0.13163 65 Singlet-A 2.3536 526.79 0.0041 0.000 1036 1093 0.11482 66 Singlet-A 2.3559 526.26 0.0011 0.000 1052 1097 0.10738 1058 1097 0.17924 1068 1097 -0.10377 1074 1097 0.10172 67 Singlet-A 2.3596 525.45 0.0010 0.000 1046 1083 0.13542 1046 1099 0.18143 1046 1106 0.17580 68 Singlet-A 2.3639 524.50 0.0003 0.000 1078 1099 0.10650 69 Singlet-A 2.3646 524.34 0.0025 0.000 1052 1106 0.10226 1057 1106 -0.09418 1058 1106 0.09592 1072 1106 0.09484 70 Singlet-A 2.3667 523.87 0.0002 0.000 1045 1086 0.09701 71 Singlet-A 2.3732 522.42 0.0030 0.000 1044 1098 0.11993 1056 1098 -0.11480 1064 1098 -0.12650 72 Singlet-A 2.3758 521.85 0.0042 0.000 1060 1091 0.10673 73 Singlet-A 2.3770 521.60 0.0072 0.000 1039 1087 0.10042 1041 1087 -0.10743 1049 1090 -0.10708 1049 1091 -0.10125 1067 1107 0.12944 1077 1087 0.11587 74 Singlet-A 2.3823 520.44 0.0022 0.000 1052 1101 0.08370 1068 1101 0.09178 75 Singlet-A 2.3855 519.75 0.0047 0.000 1043 1107 -0.08897 1077 1085 0.08695 1077 1087 0.08457 76 Singlet-A 2.3884 519.11 0.0017 0.000 1046 1083 0.15151 1046 1085 0.10130 1050 1106 -0.14714 1054 1106 -0.16001 1056 1106 0.14484 1062 1106 -0.10726 77 Singlet-A 2.3890 518.98 0.0029 0.000 1077 1087 0.13195 78 Singlet-A 2.3901 518.74 0.0045 0.000 1048 1098 0.15158 1048 1101 -0.10202 1053 1081 -0.12842 79 Singlet-A 2.3974 517.17 0.0005 0.000 1042 1097 0.11812 1048 1097 0.16098 1050 1097 0.11175 1053 1097 0.10114 80 Singlet-A 2.3982 516.98 0.0012 0.000 1047 1090 -0.08988 81 Singlet-A 2.4091 514.65 0.0055 0.000 1050 1086 0.09133 82 Singlet-A 2.4170 512.96 0.0069 0.000 1042 1084 -0.10006 1077 1107 -0.13555 83 Singlet-A 2.4208 512.16 0.0047 0.000 1037 1083 -0.12247 1040 1099 0.12712 1044 1099 -0.10496 1046 1083 0.13518 1046 1099 -0.22049 84 Singlet-A 2.4271 510.84 0.0026 0.000 1040 1092 0.12371 1040 1094 -0.11758 1046 1092 0.10819 1055 1092 -0.10479 1057 1092 -0.10523 85 Singlet-A 2.4326 509.68 0.0003 0.000 1040 1103 0.11907 86 Singlet-A 2.4377 508.62 0.0013 0.000 1040 1106 -0.10082 87 Singlet-A 2.4554 504.94 0.0005 0.000 1039 1107 -0.14660 1041 1107 0.12478 1042 1107 0.15352 1077 1087 0.11125 88 Singlet-A 2.4632 503.35 0.0006 0.000 1042 1100 0.11039 1042 1107 -0.10571 1049 1107 0.15101 1051 1107 -0.12025 1054 1107 -0.12857 89 Singlet-A 2.4703 501.90 0.0006 0.000 1039 1100 -0.11159 1039 1103 0.10001 1041 1089 0.10219 1041 1100 -0.14692 1041 1103 0.13918 1041 1104 -0.14491 90 Singlet-A 2.4885 498.23 0.0009 0.000 1037 1099 0.13267 1037 1106 0.19682 1044 1099 0.10793 1046 1106 -0.11222 1050 1099 -0.10422 1055 1099 0.11477 1055 1106 0.11678 91 Singlet-A 2.5006 495.81 0.0017 0.000 1044 1081 0.12967 1053 1081 0.14339 1064 1081 -0.11825 1070 1098 -0.11655 1079 1108 -0.11770 92 Singlet-A 2.5236 491.31 0.0016 0.000 1072 1084 -0.11291 1072 1085 0.12013 1072 1094 -0.11693 93 Singlet-A 2.5246 491.11 0.0031 0.000 1048 1081 0.18357 1051 1081 0.12479 1053 1081 -0.10966 1070 1082 0.17080 94 Singlet-A 2.5447 487.22 0.0027 0.000 1063 1098 -0.10352 1079 1098 -0.12173 95 Singlet-A 2.5477 486.65 0.0031 0.000 1063 1098 -0.08279 1080 1084 0.08895 96 Singlet-A 2.5497 486.28 0.0072 0.000 1075 1084 0.07844 1079 1107 -0.08395 1079 1108 0.08209 97 Singlet-A 2.5628 483.78 0.0157 0.000 1070 1108 -0.11070 1077 1108 0.12919 1079 1108 -0.16647 98 Singlet-A 2.5637 483.61 0.0008 0.000 1046 1083 0.09721 99 Singlet-A 2.5676 482.88 0.0013 0.000 1055 1097 0.10105 1058 1096 0.09429 1063 1097 -0.09553 1076 1097 -0.09165 100 Singlet-A 2.5744 481.61 0.0009 0.000 1076 1096 -0.10785 1076 1103 0.11041 101 Singlet-A 2.5748 481.53 0.0058 0.000 1080 1101 0.10465 102 Singlet-A 2.5790 480.75 0.0008 0.000 1074 1091 0.11082 103 Singlet-A 2.5866 479.33 0.0010 0.000 1055 1092 -0.10317 1075 1092 0.11495 104 Singlet-A 2.5879 479.09 0.0020 0.000 1043 1107 -0.10439 1056 1107 0.11331 1059 1107 0.12414 1075 1087 -0.10067 1077 1087 -0.14918 105 Singlet-A 2.5907 478.58 0.0004 0.000 1077 1095 0.15546 106 Singlet-A 2.5914 478.44 0.0015 0.000 1050 1086 0.09277 1080 1101 0.10212 1080 1105 -0.10037 107 Singlet-A 2.5970 477.42 0.0023 0.000 1048 1086 0.09087 1050 1086 0.09372 1058 1097 0.08525 1063 1086 -0.09152 108 Singlet-A 2.6024 476.42 0.0010 0.000 1064 1082 -0.11572 109 Singlet-A 2.6053 475.89 0.0067 0.000 1046 1082 -0.10805 1046 1083 0.22245 1046 1085 0.14243 1047 1083 0.12802 1065 1106 -0.11102 110 Singlet-A 2.6088 475.25 0.0045 0.000 1078 1099 0.07940 111 Singlet-A 2.6113 474.80 0.0024 0.000 1063 1097 -0.11374 1068 1097 0.12151 1076 1097 -0.11679 112 Singlet-A 2.6118 474.71 0.0018 0.000 1069 1092 0.12890 113 Singlet-A 2.6129 474.51 0.0004 0.000 1049 1087 0.10857 1067 1107 0.11824 114 Singlet-A 2.6136 474.39 0.0015 0.000 1074 1093 0.09808 115 Singlet-A 2.6195 473.32 0.0012 0.000 1042 1084 -0.11399 1042 1089 0.10144 1073 1107 0.11030 116 Singlet-A 2.6250 472.32 0.0015 0.000 1045 1094 -0.11085 1057 1092 -0.12358 1060 1092 0.10310 1072 1094 0.12940 117 Singlet-A 2.6256 472.22 0.0018 0.000 1041 1091 -0.10496 118 Singlet-A 2.6327 470.94 0.0023 0.000 1037 1106 0.11101 1064 1106 -0.10063 1078 1106 0.11393 1080 1099 -0.10048 1080 1106 -0.12377 119 Singlet-A 2.6343 470.66 0.0037 0.000 1049 1087 -0.11173 1059 1090 -0.11392 120 Singlet-A 2.6355 470.45 0.0034 0.000 1043 1087 0.09275 1059 1090 0.09221 121 Singlet-A 2.6399 469.66 0.0023 0.000 1037 1099 0.07960 1037 1106 0.08023 1054 1099 0.07395 1069 1099 0.07533 122 Singlet-A 2.6407 469.52 0.0011 0.000 1053 1098 0.17635 1053 1101 -0.10662 123 Singlet-A 2.6432 469.08 0.0008 0.000 1041 1087 0.10409 1059 1107 0.13435 1062 1107 0.11842 1067 1107 0.11456 1077 1107 -0.10464 124 Singlet-A 2.6485 468.13 0.0024 0.000 1036 1096 0.08741 1048 1096 -0.09020 1053 1096 -0.09415 125 Singlet-A 2.6512 467.65 0.0116 0.000 1080 1119 0.08268 1080 1124 -0.08770 126 Singlet-A 2.6573 466.59 0.0016 0.000 1039 1091 0.11388 1041 1088 0.10063 1041 1091 0.17486 127 Singlet-A 2.6589 466.31 0.0100 0.000 1080 1109 0.17423 128 Singlet-A 2.6629 465.59 0.0009 0.000 1039 1090 -0.10383 1041 1090 -0.13792 1041 1091 0.10082 1060 1091 -0.10648 1061 1104 -0.10932 129 Singlet-A 2.6689 464.56 0.0016 0.000 1076 1102 0.11103 130 Singlet-A 2.6736 463.74 0.0144 0.000 1063 1108 -0.11306 1069 1108 0.10685 131 Singlet-A 2.6745 463.59 0.0039 0.000 1040 1092 0.10516 1040 1094 0.13262 1055 1106 -0.10911 1062 1094 -0.10329 132 Singlet-A 2.6808 462.48 0.0025 0.000 1036 1094 -0.10611 133 Singlet-A 2.6819 462.30 0.0016 0.000 1077 1110 0.08892 134 Singlet-A 2.6851 461.75 0.0170 0.000 1061 1115 0.14060 1062 1115 0.10777 1068 1115 0.12056 1073 1115 -0.10488 135 Singlet-A 2.6882 461.22 0.0077 0.000 1037 1099 -0.09278 1065 1106 0.10239 136 Singlet-A 2.6893 461.03 0.0055 0.000 1007 1087 -0.07478 1062 1110 -0.07814 1078 1117 -0.07265 137 Singlet-A 2.6932 460.36 0.0007 0.000 1045 1102 0.08635 138 Singlet-A 2.6976 459.61 0.0011 0.000 1040 1092 0.10639 139 Singlet-A 2.7024 458.79 0.0017 0.000 1040 1106 -0.07431 1060 1106 -0.07861 140 Singlet-A 2.7043 458.47 0.0018 0.000 1039 1104 -0.10916 1041 1091 0.12973 1041 1098 -0.12808 1041 1100 -0.12000 1041 1103 0.11484 1041 1104 -0.15007 141 Singlet-A 2.7055 458.27 0.0054 0.000 1067 1118 -0.07958 142 Singlet-A 2.7081 457.83 0.0029 0.000 1038 1095 0.10016 1042 1095 -0.15831 143 Singlet-A 2.7093 457.62 0.0018 0.000 1046 1106 0.22400 144 Singlet-A 2.7120 457.17 0.0095 0.000 1072 1118 -0.09747 145 Singlet-A 2.7226 455.39 0.0023 0.000 1043 1107 0.10152 1049 1100 0.10617 1049 1107 0.17386 146 Singlet-A 2.7229 455.35 0.0027 0.000 1048 1108 0.07516 1053 1108 -0.08054 1053 1122 -0.07784 1079 1121 -0.07292 147 Singlet-A 2.7242 455.11 0.0090 0.000 1079 1111 0.07613 148 Singlet-A 2.7274 454.59 0.0054 0.000 1080 1127 0.07661 149 Singlet-A 2.7296 454.22 0.0015 0.000 1073 1119 0.07743 150 Singlet-A 2.7335 453.58 0.0087 0.000 1025 1083 -0.07447 1037 1099 0.07297 1050 1116 -0.07874 151 Singlet-A 2.7374 452.93 0.0006 0.000 1076 1111 -0.10128 152 Singlet-A 2.7381 452.81 0.0038 0.000 1067 1110 0.10456 153 Singlet-A 2.7442 451.81 0.0052 0.000 1066 1115 -0.10457 154 Singlet-A 2.7457 451.56 0.0180 0.000 1066 1115 -0.07683 155 Singlet-A 2.7492 450.98 0.0089 0.000 1072 1118 0.09562 156 Singlet-A 2.7518 450.56 0.0166 0.000 1076 1113 0.11397 157 Singlet-A 2.7680 447.92 0.0032 0.000 1055 1124 0.10029 1074 1124 -0.10322 158 Singlet-A 2.7772 446.43 0.0023 0.000 1059 1110 0.09129 1067 1130 0.09268 159 Singlet-A 2.7789 446.16 0.0011 0.000 1057 1125 0.10195 1060 1125 0.13370 160 Singlet-A 2.7821 445.65 0.0099 0.000 1046 1110 -0.11041 1046 1113 0.11849 1046 1116 -0.12714 161 Singlet-A 2.7824 445.60 0.0067 0.000 1034 1095 0.07389 1077 1123 0.06909 162 Singlet-A 2.8043 442.12 0.0044 0.000 1045 1114 0.08424 1072 1114 -0.07994 163 Singlet-A 2.8288 438.29 0.0248 0.000 1080 1109 -0.14056 1080 1122 -0.13518 164 Singlet-A 2.8341 437.47 0.0094 0.000 1076 1118 -0.13267 165 Singlet-A 2.8353 437.29 0.0037 0.000 1080 1109 0.11459 166 Singlet-A 2.8505 434.96 0.0052 0.000 1073 1117 0.13497 1077 1117 0.11667 167 Singlet-A 2.8638 432.94 0.0050 0.000 1067 1118 -0.14249 1069 1118 -0.10740 168 Singlet-A 2.8665 432.52 0.0009 0.000 1037 1108 -0.11861 1038 1108 0.12013 1044 1108 0.11275 1064 1108 -0.11161 169 Singlet-A 2.8737 431.44 0.0015 0.000 1052 1108 0.11108 1053 1108 0.19819 1055 1108 -0.11983 1063 1108 -0.12526 170 Singlet-A 2.8771 430.93 0.0015 0.000 1065 1110 0.10234 1065 1116 0.09239 171 Singlet-A 2.8808 430.38 0.0044 0.000 1075 1116 0.09868 1078 1116 -0.09745 172 Singlet-A 2.8845 429.82 0.0034 0.000 1058 1114 -0.11479 173 Singlet-A 2.8853 429.72 0.0041 0.000 1074 1114 0.09433 174 Singlet-A 2.8873 429.42 0.0099 0.000 1074 1114 0.09407 175 Singlet-A 2.8974 427.91 0.0068 0.000 1068 1111 0.10124 176 Singlet-A 2.8984 427.77 0.0107 0.000 1066 1115 -0.08529 1068 1125 0.08435 177 Singlet-A 2.9018 427.27 0.0031 0.000 1067 1110 -0.14405 1067 1111 0.10581 178 Singlet-A 2.9020 427.23 0.0104 0.000 1080 1109 -0.13029 1080 1112 -0.12791 179 Singlet-A 2.9052 426.77 0.0074 0.000 1037 1110 0.07638 1064 1109 0.08199 1078 1109 -0.08400 180 Singlet-A 2.9074 426.45 0.0159 0.000 1048 1108 0.12655 1070 1108 -0.10833 181 Singlet-A 2.9089 426.22 0.0104 0.000 1036 1109 -0.06240 1050 1109 -0.06853 1068 1109 0.06683 182 Singlet-A 2.9134 425.57 0.0002 0.000 1060 1115 -0.06158 1068 1125 0.06466 1073 1125 -0.06513 1078 1125 0.06491 183 Singlet-A 2.9151 425.31 0.0038 0.000 1058 1113 0.05800 1058 1118 0.06174 1074 1111 -0.05946 1074 1133 -0.05718 184 Singlet-A 2.9179 424.90 0.0067 0.000 1074 1118 0.10836 185 Singlet-A 2.9209 424.47 0.0002 0.000 1060 1115 0.09401 186 Singlet-A 2.9228 424.19 0.0025 0.000 1008 1081 -0.07297 1063 1122 0.07604 1070 1122 -0.06959 1076 1122 -0.07128 187 Singlet-A 2.9273 423.54 0.0009 0.000 1049 1110 0.12335 188 Singlet-A 2.9335 422.65 0.0032 0.000 1076 1118 -0.09730 1076 1130 0.09698 189 Singlet-A 2.9367 422.19 0.0053 0.000 1038 1117 0.06619 1049 1110 0.06317 1078 1119 -0.06582 1079 1119 0.06440 190 Singlet-A 2.9373 422.10 0.0035 0.000 1079 1109 -0.06540 191 Singlet-A 2.9417 421.47 0.0021 0.000 1077 1129 -0.07084 192 Singlet-A 2.9427 421.32 0.0015 0.000 1055 1114 -0.09528 193 Singlet-A 2.9464 420.80 0.0035 0.000 1072 1118 -0.08059 1072 1120 -0.07703 194 Singlet-A 2.9471 420.70 0.0037 0.000 1074 1128 0.06586 195 Singlet-A 2.9498 420.31 0.0130 0.000 1048 1121 -0.10356 196 Singlet-A 2.9499 420.30 0.0083 0.000 1072 1120 -0.10217 197 Singlet-A 2.9517 420.04 0.0017 0.000 1072 1126 0.07839 198 Singlet-A 2.9522 419.97 0.0015 0.000 1070 1113 0.06695 199 Singlet-A 2.9527 419.91 0.0019 0.000 1067 1129 0.07932 1077 1130 0.07353 200 Singlet-A 2.9539 419.73 0.0069 0.000 1070 1122 0.05958 201 Singlet-A 2.9557 419.47 0.0145 0.000 1062 1120 -0.06288 202 Singlet-A 2.9563 419.39 0.0022 0.000 1040 1120 -0.04261 1057 1120 -0.04472 1061 1120 -0.04188 1062 1120 0.04630 1064 1109 -0.04369 203 Singlet-A 2.9579 419.16 0.0084 0.000 1048 1111 0.08285 204 Singlet-A 2.9583 419.11 0.0007 0.000 1067 1126 -0.06504 1072 1123 0.06743 205 Singlet-A 2.9621 418.57 0.0017 0.000 1049 1117 -0.06715 1051 1117 0.06562 1073 1117 -0.06784 206 Singlet-A 2.9677 417.77 0.0057 0.000 1055 1131 -0.07810 1069 1120 0.07374 207 Singlet-A 2.9690 417.60 0.0013 0.000 1053 1121 -0.07624 208 Singlet-A 2.9708 417.34 0.0037 0.000 1050 1127 -0.05432 1072 1113 -0.05661 1072 1127 -0.05484 209 Singlet-A 2.9758 416.64 0.0022 0.000 1062 1128 -0.08907 210 Singlet-A 2.9769 416.49 0.0077 0.000 1059 1130 0.08453 211 Singlet-A 2.9790 416.19 0.0043 0.000 986 1081 -0.07083 988 1081 0.06953 1059 1130 0.07361 212 Singlet-A 2.9817 415.81 0.0031 0.000 1059 1123 -0.06102 1059 1130 0.06481 213 Singlet-A 2.9840 415.50 0.0034 0.000 1037 1116 -0.10706 1069 1116 -0.10390 214 Singlet-A 2.9885 414.87 0.0169 0.000 1044 1109 0.07453 1059 1109 -0.07416 215 Singlet-A 2.9915 414.46 0.0067 0.000 1077 1129 -0.10427 216 Singlet-A 2.9939 414.12 0.0031 0.000 1072 1118 -0.09162 217 Singlet-A 2.9956 413.89 0.0041 0.000 1060 1125 0.10949 1066 1125 -0.14557 218 Singlet-A 2.9961 413.81 0.0154 0.000 1050 1111 -0.07158 219 Singlet-A 2.9982 413.53 0.0103 0.000 1053 1121 0.12259 220 Singlet-A 2.9994 413.37 0.0011 0.000 1050 1111 0.06274 1066 1133 -0.06288 221 Singlet-A 3.0048 412.63 0.0007 0.000 1043 1125 -0.09627 1047 1125 -0.10139 222 Singlet-A 3.0063 412.41 0.0045 0.000 1077 1132 -0.07069 223 Singlet-A 3.0080 412.18 0.0030 0.000 1058 1124 0.07495 1060 1124 -0.07188 1071 1134 -0.06812 224 Singlet-A 3.0099 411.92 0.0008 0.000 961 1087 -0.06622 1043 1128 0.06559 1043 1130 -0.06875 1059 1128 -0.07237 225 Singlet-A 3.0107 411.81 0.0037 0.000 1025 1099 0.07819 1044 1116 -0.08348 1046 1109 -0.07734 1046 1110 0.07930 226 Singlet-A 3.0112 411.75 0.0017 0.000 1045 1120 -0.07144 227 Singlet-A 3.0124 411.58 0.0015 0.000 1045 1120 0.07302 1060 1124 0.07553 228 Singlet-A 3.0138 411.39 0.0005 0.000 1041 1115 0.06546 1051 1127 -0.06879 229 Singlet-A 3.0147 411.27 0.0022 0.000 1060 1128 -0.09587 230 Singlet-A 3.0157 411.13 0.0057 0.000 962 1095 -0.04913 1042 1121 -0.05202 1042 1133 0.05232 1051 1130 0.04863 1061 1128 -0.05147 231 Singlet-A 3.0256 409.79 0.0075 0.000 1059 1129 -0.07976 1059 1132 -0.07385 1067 1129 -0.07226 232 Singlet-A 3.0290 409.32 0.0051 0.000 1040 1124 0.09500 233 Singlet-A 3.0330 408.78 0.0018 0.000 1039 1125 -0.12821 1041 1125 -0.15999 1061 1125 0.11196 234 Singlet-A 3.0381 408.10 0.0064 0.000 1058 1133 0.08549 235 Singlet-A 3.0412 407.68 0.0055 0.000 1014 1106 -0.08289 1046 1131 0.07494 236 Singlet-A 3.0478 406.79 0.0047 0.000 1037 1116 -0.09062 237 Singlet-A 3.0483 406.74 0.0066 0.000 1048 1133 0.09473 1050 1133 0.08959 238 Singlet-A 3.0581 405.42 0.0021 0.000 1039 1128 0.12261 1041 1127 -0.12999 1041 1128 0.20259 239 Singlet-A 3.0607 405.08 0.0001 0.000 1049 1132 -0.10091 240 Singlet-A 3.0718 403.62 0.0050 0.000 1036 1126 -0.09500 241 Singlet-A 3.0735 403.40 0.0067 0.000 1058 1134 -0.08430 242 Singlet-A 3.0808 402.44 0.0047 0.000 1042 1119 -0.09810 243 Singlet-A 3.0856 401.81 0.0283 0.000 1079 1134 -0.08981 244 Singlet-A 3.0900 401.25 0.0106 0.000 1046 1116 -0.09153 245 Singlet-A 3.1059 399.19 0.0261 0.000 1080 1137 -0.12535 1080 1138 0.11603 246 Singlet-A 3.1097 398.70 0.0108 0.000 1053 1122 -0.08399 247 Singlet-A 3.1223 397.09 0.0155 0.000 1079 1109 -0.07917 1080 1138 0.08397 248 Singlet-A 3.1307 396.02 0.0268 0.000 1079 1139 0.10649 249 Singlet-A 3.1350 395.48 0.0541 0.000 1053 1108 0.10310 250 Singlet-A 3.1445 394.29 0.0073 0.000 1073 1153 0.05413 1077 1117 0.05080 251 Singlet-A 3.1509 393.49 0.0107 0.000 1076 1144 0.07216 252 Singlet-A 3.1527 393.27 0.0254 0.000 1046 1131 -0.07166 253 Singlet-A 3.1586 392.52 0.0205 0.000 1080 1155 -0.05530 1080 1159 0.05820 1080 1160 0.05957 254 Singlet-A 3.1600 392.35 0.0206 0.000 1077 1141 0.06176 255 Singlet-A 3.1616 392.16 0.0021 0.000 1067 1132 0.05719 1067 1151 0.05795 1067 1171 0.05507 1077 1172 -0.05931 1077 1174 -0.05539 1078 1172 0.05531 256 Singlet-A 3.1627 392.02 0.0106 0.000 1058 1133 0.06510 257 Singlet-A 3.1632 391.96 0.0096 0.000 1049 1157 0.07348 1061 1157 -0.07931 1063 1157 0.07243 1067 1136 0.08028 1067 1172 -0.07774 1075 1157 0.07259 1077 1157 0.07465 258 Singlet-A 3.1656 391.65 0.0155 0.000 1079 1134 0.06109 259 Singlet-A 3.1662 391.58 0.0023 0.000 1074 1161 0.04946 1074 1173 0.05307 1076 1144 0.05129 1076 1201 0.04874 260 Singlet-A 3.1686 391.28 0.0152 0.000 1053 1185 0.06945 1079 1158 0.06744 261 Singlet-A 3.1717 390.91 0.0054 0.000 1061 1125 -0.07535 1061 1162 0.07453 1066 1198 0.07340 1068 1162 0.08021 262 Singlet-A 3.1741 390.61 0.0038 0.000 1080 1140 -0.05855 1080 1182 0.06215 1080 1195 0.06439 1080 1197 -0.05834 263 Singlet-A 3.1799 389.90 0.0083 0.000 1048 1175 0.05192 1058 1187 0.04864 1076 1133 0.04731 264 Singlet-A 3.1805 389.83 0.0389 0.000 1075 1138 0.05451 1075 1140 -0.05159 1080 1146 -0.05097 1080 1182 -0.05294 265 Singlet-A 3.1816 389.69 0.0290 0.000 1077 1135 -0.05531 266 Singlet-A 3.1834 389.47 0.0167 0.000 1026 1092 -0.05384 1074 1145 0.05115 267 Singlet-A 3.1865 389.10 0.0236 0.000 1076 1118 -0.06898 268 Singlet-A 3.1921 388.41 0.0041 0.000 1076 1201 0.07024 269 Singlet-A 3.1931 388.29 0.0174 0.000 1080 1140 0.06321 270 Singlet-A 3.1955 388.00 0.0168 0.000 1080 1165 -0.08229 271 Singlet-A 3.1964 387.89 0.0176 0.000 1041 1125 0.03968 1063 1199 -0.04302 1076 1111 -0.04007 1076 1133 -0.04289 272 Singlet-A 3.1965 387.87 0.0082 0.000 1041 1125 -0.07253 273 Singlet-A 3.1970 387.81 0.0055 0.000 1046 1170 0.05691 1075 1138 0.05141 1077 1138 -0.05181 1078 1140 0.05272 1078 1170 0.05445 274 Singlet-A 3.1978 387.72 0.0082 0.000 1041 1125 -0.09204 275 Singlet-A 3.1984 387.64 0.0063 0.000 1080 1165 -0.07086 276 Singlet-A 3.1994 387.53 0.0016 0.000 1062 1170 -0.05198 1064 1170 0.04681 277 Singlet-A 3.2000 387.45 0.0033 0.000 1075 1136 0.04722 1077 1196 -0.04853 1080 1138 0.04639 1080 1165 -0.04805 278 Singlet-A 3.2026 387.13 0.0084 0.000 1076 1143 0.09011 279 Singlet-A 3.2068 386.63 0.0088 0.000 1078 1139 0.09635 280 Singlet-A 3.2095 386.30 0.0057 0.000 1067 1174 0.05329 1075 1173 0.05622 281 Singlet-A 3.2111 386.11 0.0074 0.000 1078 1139 -0.10334 282 Singlet-A 3.2177 385.32 0.0064 0.000 1046 1110 0.05545 1046 1113 -0.05528 1046 1170 0.05941 1065 1146 0.05577 283 Singlet-A 3.2186 385.21 0.0042 0.000 1072 1161 -0.08050 1072 1201 -0.08233 284 Singlet-A 3.2196 385.09 0.0066 0.000 1061 1162 0.06825 1066 1128 0.07300 1074 1168 -0.07454 285 Singlet-A 3.2214 384.88 0.0264 0.000 1009 1081 0.06657 1048 1194 0.06215 1070 1108 0.06677 286 Singlet-A 3.2223 384.77 0.0070 0.000 1067 1172 -0.07122 1077 1157 -0.07085 287 Singlet-A 3.2236 384.61 0.0665 0.000 1037 1205 0.07206 288 Singlet-A 3.2250 384.45 0.0275 0.000 1063 1134 0.06021 1079 1134 0.05877 289 Singlet-A 3.2260 384.33 0.0040 0.000 1040 1134 0.06363 1058 1182 -0.06428 1060 1182 0.06973 1062 1182 0.06723 290 Singlet-A 3.2279 384.11 0.0373 0.000 1041 1191 -0.06675 291 Singlet-A 3.2286 384.02 0.0011 0.000 1076 1173 -0.07732 292 Singlet-A 3.2309 383.75 0.0111 0.000 1079 1134 -0.06418 1080 1138 -0.05847 1080 1165 0.06387 293 Singlet-A 3.2320 383.61 0.0165 0.000 1041 1191 0.05171 1080 1137 -0.05733 294 Singlet-A 3.2333 383.46 0.0072 0.000 1076 1183 -0.06313 295 Singlet-A 3.2349 383.27 0.0134 0.000 1032 1092 0.06323 296 Singlet-A 3.2386 382.84 0.0082 0.000 1077 1132 0.06170 297 Singlet-A 3.2390 382.79 0.0053 0.000 1041 1115 0.07929 298 Singlet-A 3.2430 382.32 0.0027 0.000 1045 1193 0.05871 1060 1193 -0.05790 1062 1177 -0.05467 1069 1153 -0.05316 1071 1193 0.05565 1074 1200 0.05308 299 Singlet-A 3.2448 382.10 0.0084 0.000 1066 1175 0.07290 1068 1175 -0.08066 300 Singlet-A 3.2458 381.99 0.0238 0.000 1049 1163 0.07805 1059 1157 0.07264 1059 1203 -0.07130 301 Singlet-A 3.2465 381.91 0.0151 0.000 1080 1137 -0.05938 1080 1190 -0.06469 302 Singlet-A 3.2475 381.78 0.0008 0.000 1046 1140 0.05111 1046 1167 -0.05352 1065 1181 0.05659 1080 1140 -0.05305 303 Singlet-A 3.2524 381.21 0.0093 0.000 1063 1175 -0.05647 1063 1180 0.05427 1068 1142 -0.05608 1076 1142 0.05605 304 Singlet-A 3.2529 381.15 0.0115 0.000 1073 1137 0.06742 1073 1139 0.06837 305 Singlet-A 3.2533 381.10 0.0055 0.000 1073 1138 0.08092 306 Singlet-A 3.2540 381.02 0.0004 0.000 1055 1182 -0.05870 1060 1177 0.06151 307 Singlet-A 3.2552 380.88 0.0061 0.000 1063 1134 0.08825 1069 1134 -0.08456 308 Singlet-A 3.2617 380.13 0.0233 0.000 1059 1136 0.06883 1067 1136 0.07351 1075 1136 0.06983 1077 1136 0.07443 309 Singlet-A 3.2621 380.08 0.0120 0.000 1041 1198 -0.07216 310 Singlet-A 3.2653 379.70 0.0241 0.000 1046 1170 -0.09184 311 Singlet-A 3.2683 379.36 0.0147 0.000 1066 1168 0.08282 312 Singlet-A 3.2690 379.27 0.0030 0.000 1065 1136 -0.12570 1067 1132 0.10035 1067 1136 0.17997 313 Singlet-A 3.2736 378.74 0.0236 0.000 1080 1154 0.09930 1080 1159 -0.10471 1080 1160 -0.10502 314 Singlet-A 3.2759 378.47 0.0152 0.000 1074 1144 0.06858 1078 1144 0.06851 1080 1154 0.07288 1080 1159 -0.06882 1080 1160 -0.06630 315 Singlet-A 3.2774 378.30 0.0127 0.000 1067 1144 -0.08757 1074 1144 0.09697 1078 1144 0.08864 316 Singlet-A 3.2819 377.78 0.0197 0.000 1077 1153 0.07188 1079 1139 -0.06492 317 Singlet-A 3.2878 377.10 0.0522 0.000 1078 1139 0.12910 1079 1139 -0.10611 318 Singlet-A 3.2907 376.77 0.0169 0.000 1077 1136 -0.13511 319 Singlet-A 3.2997 375.74 0.0122 0.000 1076 1142 -0.11585 320 Singlet-A 3.3022 375.46 0.0284 0.000 1063 1156 0.08826 1069 1156 -0.08816 1071 1156 -0.08060 321 Singlet-A 3.3057 375.06 0.0134 0.000 1077 1156 0.10131 1079 1156 -0.13828 322 Singlet-A 3.3080 374.81 0.0289 0.000 1080 1159 0.08438 1080 1160 0.09147 323 Singlet-A 3.3085 374.74 0.0023 0.000 1072 1144 -0.12645 324 Singlet-A 3.3113 374.42 0.0265 0.000 1080 1160 0.08447 325 Singlet-A 3.3134 374.19 0.0155 0.000 1059 1136 -0.08938 1077 1151 -0.08225 326 Singlet-A 3.3153 373.98 0.0078 0.000 1067 1151 -0.10779 327 Singlet-A 3.3160 373.90 0.0088 0.000 1079 1156 0.08820 1079 1159 0.09468 328 Singlet-A 3.3184 373.63 0.0118 0.000 1065 1146 -0.11295 1070 1146 -0.10072 329 Singlet-A 3.3201 373.44 0.0070 0.000 1068 1143 0.10105 330 Singlet-A 3.3217 373.26 0.0527 0.000 1076 1148 0.09121 331 Singlet-A 3.3238 373.01 0.0045 0.000 1072 1148 0.09640 332 Singlet-A 3.3260 372.78 0.0056 0.000 1066 1143 0.11385 333 Singlet-A 3.3272 372.63 0.0055 0.000 1065 1151 0.10138 1067 1148 0.13131 1067 1151 -0.15402 334 Singlet-A 3.3309 372.23 0.0319 0.000 1066 1140 0.07121 1073 1139 0.07149 1075 1139 0.07211 1077 1139 0.07740 335 Singlet-A 3.3317 372.13 0.0059 0.000 1055 1145 -0.07535 1074 1145 0.07983 336 Singlet-A 3.3374 371.50 0.0214 0.000 1068 1141 -0.08915 337 Singlet-A 3.3385 371.38 0.0120 0.000 1072 1144 0.06692 1076 1144 -0.06555 338 Singlet-A 3.3410 371.10 0.0076 0.000 1053 1134 -0.09689 339 Singlet-A 3.3415 371.04 0.0198 0.000 1053 1134 0.06165 1055 1146 0.05916 1075 1146 0.05771 1078 1146 -0.06092 340 Singlet-A 3.3471 370.42 0.0169 0.000 1068 1150 -0.08257 1073 1150 0.07486 341 Singlet-A 3.3495 370.16 0.0125 0.000 1068 1141 -0.06593 1076 1143 -0.06960 1080 1160 0.06588 342 Singlet-A 3.3525 369.83 0.0042 0.000 1058 1142 0.06392 1058 1147 0.06051 1068 1142 -0.06652 1080 1160 0.06437 343 Singlet-A 3.3529 369.78 0.0009 0.000 1070 1137 -0.05683 1073 1150 -0.05446 1075 1137 -0.06001 344 Singlet-A 3.3560 369.44 0.0069 0.000 1048 1134 -0.11754 345 Singlet-A 3.3566 369.37 0.0018 0.000 1043 1136 -0.10465 1049 1136 -0.11230 1056 1136 0.12373 1059 1136 0.12835 346 Singlet-A 3.3574 369.29 0.0059 0.000 1055 1153 -0.09787 347 Singlet-A 3.3602 368.98 0.0063 0.000 1076 1160 -0.10021 1076 1161 -0.14653 348 Singlet-A 3.3625 368.72 0.0106 0.000 1069 1145 -0.06585 1071 1145 0.06281 349 Singlet-A 3.3644 368.51 0.0301 0.000 1065 1140 0.06591 1070 1140 0.06452 1078 1146 0.05961 350 Singlet-A 3.3655 368.40 0.0138 0.000 1060 1141 -0.06158 1060 1142 -0.05708 1065 1138 -0.06048 1066 1140 -0.06199 351 Singlet-A 3.3666 368.28 0.0103 0.000 1060 1140 -0.05938 1066 1138 0.06187 352 Singlet-A 3.3688 368.03 0.0324 0.000 1057 1143 -0.07583 1076 1147 0.08110 353 Singlet-A 3.3708 367.82 0.0191 0.000 1075 1151 -0.11514 1077 1151 -0.11589 354 Singlet-A 3.3712 367.77 0.0474 0.000 1051 1138 -0.05902 355 Singlet-A 3.3744 367.42 0.0341 0.000 1077 1151 -0.06230 356 Singlet-A 3.3749 367.37 0.0125 0.000 1072 1144 0.08794 357 Singlet-A 3.3761 367.24 0.0193 0.000 1050 1134 -0.04395 1052 1152 0.04882 1053 1159 -0.04426 1063 1156 -0.04435 1072 1161 0.04853 1079 1152 0.04454 1079 1155 0.04712 1079 1156 -0.04756 1080 1081 -0.04528 358 Singlet-A 3.3777 367.06 0.0150 0.000 1046 1138 -0.07755 359 Singlet-A 3.3790 366.92 0.0075 0.000 1050 1147 0.06818 1058 1145 0.06696 1058 1148 -0.06823 1058 1150 -0.06397 1063 1143 0.06711 1076 1143 0.06678 360 Singlet-A 3.3794 366.89 0.0372 0.000 1058 1143 0.06635 1063 1143 -0.05972 361 Singlet-A 3.3812 366.69 0.0022 0.000 1051 1139 -0.06946 1068 1139 -0.06974 1073 1139 0.06436 1078 1153 0.06447 362 Singlet-A 3.3844 366.35 0.0018 0.000 1043 1139 0.05923 363 Singlet-A 3.3860 366.16 0.0133 0.000 1066 1150 -0.08074 1068 1139 0.07393 364 Singlet-A 3.3891 365.83 0.0070 0.000 1066 1150 0.12792 365 Singlet-A 3.3902 365.71 0.0004 0.000 1054 1138 -0.07561 366 Singlet-A 3.3918 365.54 0.0015 0.000 1060 1140 0.06591 1060 1141 -0.06046 367 Singlet-A 3.3930 365.41 0.0338 0.000 1063 1156 -0.10448 368 Singlet-A 3.3932 365.39 0.0247 0.000 1050 1138 -0.08314 1054 1140 0.08333 369 Singlet-A 3.3954 365.16 0.0027 0.000 1067 1157 0.07337 370 Singlet-A 3.3971 364.97 0.0059 0.000 1053 1156 -0.06858 371 Singlet-A 3.3976 364.92 0.0173 0.000 1057 1145 -0.05102 1067 1160 0.05555 1077 1161 0.05200 372 Singlet-A 3.3988 364.78 0.0026 0.000 1072 1145 -0.08196 373 Singlet-A 3.3996 364.70 0.0002 0.000 1057 1145 -0.06769 374 Singlet-A 3.4035 364.28 0.0205 0.000 1067 1157 0.12895 1067 1163 0.10953 375 Singlet-A 3.4068 363.93 0.0118 0.000 1058 1145 0.06784 1062 1154 0.06195 1079 1155 0.06246 376 Singlet-A 3.4075 363.86 0.0130 0.000 1067 1157 0.08908 377 Singlet-A 3.4103 363.56 0.0035 0.000 1045 1148 0.05836 1067 1144 -0.06383 1072 1144 0.05863 378 Singlet-A 3.4118 363.40 0.0251 0.000 1057 1147 -0.06386 1072 1144 0.05794 379 Singlet-A 3.4124 363.34 0.0059 0.000 1050 1159 0.05588 1050 1160 0.05567 1051 1160 0.06059 380 Singlet-A 3.4132 363.25 0.0107 0.000 1060 1159 0.08939 1060 1160 -0.08138 381 Singlet-A 3.4152 363.04 0.0015 0.000 1061 1151 0.08884 1063 1151 -0.08040 382 Singlet-A 3.4159 362.96 0.0122 0.000 1062 1152 -0.07553 1062 1155 0.07367 383 Singlet-A 3.4201 362.52 0.0251 0.000 1058 1147 -0.08308 384 Singlet-A 3.4225 362.27 0.0114 0.000 1072 1147 0.06700 1074 1161 -0.07384 385 Singlet-A 3.4247 362.03 0.0136 0.000 1046 1138 0.10003 1065 1164 0.12303 1070 1164 0.10212 386 Singlet-A 3.4279 361.70 0.0403 0.000 1080 1081 -0.12032 387 Singlet-A 3.4298 361.49 0.0185 0.000 1060 1150 -0.12493 1061 1150 -0.12681 388 Singlet-A 3.4308 361.39 0.0016 0.000 1078 1164 0.11089 389 Singlet-A 3.4315 361.32 0.0352 0.000 1049 1136 0.12998 1059 1151 -0.13013 1077 1151 -0.10008 390 Singlet-A 3.4323 361.23 0.0214 0.000 1080 1081 -0.10619 391 Singlet-A 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0.00175 0.00336 -0.03319 -0.00051 -0.03442 0.00065 -0.00342 -0.00155 -0.04065 0.00296 0.05874 -0.04239 0.00911 0.00090 -0.02713 0.03748 0.00536 -0.00598 -0.04154 0.02620 0.00365 0.01423 0.01515 0.08691 -0.06425 0.00277 -0.00516 0.00321 0.01044 0.00334 0.00166 -0.00562 0.00322 -0.00374 -0.00076 0.02695 0.05120 -0.04920 -0.02632 -0.00150 0.00748 0.00483 0.01397 0.00851 0.01644 0.00009 -0.00168 0.00151 -0.00135 -0.00160 0.01433 0.00111 0.02267 -0.01113 0.02502 0.00921 0.00074 0.00153 -0.00178 -0.00662 0.01917 -0.02987 -0.04684 -0.01394 -0.01543 0.03384 -0.00635 -0.00013 0.00055 0.09533 0.02462 -0.00161 -0.00738 -0.00628 0.00402 0.01498 0.01776 0.02912 0.00400 0.00716 0.02003 -0.00430 0.00249 -0.00093 -0.01382 8 2PZ 0.03906 -0.00493 0.00166 -0.00751 0.00065 0.02753 -0.04890 0.00774 0.02927 -0.00390 0.03890 -0.00686 0.03795 -0.00016 -0.06302 0.04357 0.03847 -0.05884 -0.06885 0.01477 0.02003 -0.02090 -0.01642 0.01256 0.01026 0.02999 0.07611 -0.08086 -0.04649 -0.00182 0.03410 0.00877 0.01902 0.01730 0.01765 0.01794 -0.00353 0.00775 0.00189 0.01122 0.07334 -0.00167 -0.01011 0.01283 -0.01408 0.01224 0.01806 0.03406 0.02403 -0.01142 0.00484 -0.00348 0.00116 0.00676 -0.00054 9 3 C 1S 0.14246 0.00502 -0.00313 -0.00049 -0.00312 0.05959 -0.10598 0.01985 0.04486 -0.01181 0.05144 -0.01188 0.08184 0.00063 -0.02714 -0.04575 -0.03103 0.06277 0.06252 -0.01448 -0.01521 0.01238 0.01571 -0.01232 -0.00815 -0.02472 -0.05554 0.05749 0.03283 0.00180 -0.01736 -0.00832 -0.02278 -0.01813 -0.03476 -0.00263 0.00060 -0.00084 -0.00021 0.00047 -0.01700 -0.00162 0.00273 -0.00213 0.00212 -0.01049 -0.01568 -0.02448 -0.00436 -0.00639 -0.00145 0.00036 -0.00018 -0.00015 0.00095 10 2PX 0.05163 0.00527 -0.00195 0.00343 -0.00197 0.03509 -0.00383 0.01300 0.00197 0.00194 0.13522 -0.00695 -0.02057 -0.00046 -0.00639 0.02192 0.00420 0.02187 0.01115 0.00705 0.02852 -0.00829 0.00367 0.00584 -0.01557 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 10 2PX 11 2PY 0.01128 -0.00227 0.00345 0.00080 0.00168 0.08241 -0.00953 -0.01733 0.00370 -0.00391 0.00795 -0.00351 0.00106 -0.00414 0.00761 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 10 2PX 11 2PY 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 10 2PX 11 2PY 12 2PZ 0.00195 0.01970 0.02425 0.01223 -0.00431 13 4 C 1S -0.00194 -0.00171 -0.00227 0.00456 -0.00632 14 2PX 0.00244 -0.00498 -0.00086 0.00639 -0.00296 15 2PY 0.00441 0.00022 0.00489 0.00468 0.00030 16 2PZ 0.00801 0.00771 0.01942 0.01676 -0.00449 17 5 C 1S 0.00236 0.00560 0.00836 0.00653 -0.00388 1 1 C 1S 2 2PX 3 2PY 1 1 C 1S 1 1 C 1S 2 2PX 1 1 C 1S 2 2PX 3 2PY 4 2PZ 5 2 C 1S 6 2PX 7 2PY 8 2PZ 9 3 C 1S 10 2PX 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 C 1S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 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1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 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1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 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C 1S|2PX|2PY|2PZ|4 C 1S|2PX|2PY|2PZ|5 C 1S|2PX|2PY|2PZ|6 C 1S|2PX|2PY|2PZ|7 C 1S|2PX|2PY|2PZ|8 C 1S|2PX|2PY|2PZ|9 C 1S|2PX|2PY|2PZ|10 C 1S|2PX|2PY|2PZ|11 C 1S|2PX|2PY|2PZ|12 C 1S|2PX|2PY|2PZ|13 C 1S|2PX|2PY|2PZ|14 C 1S|2PX|2PY|2PZ|15 C 1S|2PX|2PY|2PZ|16 C 1S|2PX|2PY|2PZ|17 C 1S|2PX|2PY|2PZ|18 C 1S|2PX|2PY|2PZ|19 C 1S|2PX|2PY|2PZ|20 C 1S|2PX|2PY|2PZ|21 C 1S|2PX|2PY|2PZ|22 C 1S|2PX|2PY|2PZ|23 C 1S|2PX|2PY|2PZ|24 C 1S|2PX|2PY|2PZ|25 C 1S|2PX|2PY|2PZ|26 C 1S|2PX|2PY|2PZ|27 C 1S|2PX|2PY|2PZ|28 C 1S|2PX|2PY|2PZ|29 C 1S|2PX|2PY|2PZ|30 C 1S|2PX|2PY|2PZ|31 C 1S|2PX|2PY|2PZ|32 C 1S|2PX|2PY|2PZ|33 C 1S|2PX|2PY|2PZ|34 C 1S|2PX|2PY|2PZ|35 C 1S|2PX|2PY|2PZ|36 C 1S|2PX|2PY|2PZ|37 C 1S|2PX|2PY|2PZ|38 C 1S|2PX|2PY|2PZ|39 C 1S|2PX|2PY|2PZ|40 C 1S|2PX|2PY|2PZ|41 C 1S|2PX|2PY|2PZ|42 C 1S|2PX|2PY|2PZ|43 C 1S|2PX|2PY|2PZ|44 C 1S|2PX|2PY|2PZ|45 C 1S|2PX|2PY|2PZ|46 C 1S|2PX|2PY|2PZ|47 C 1S|2PX|2PY|2PZ|48 C 1S|2PX|2PY|2PZ|49 C 1S|2PX|2PY|2PZ|50 C 1S|2PX|2PY|2PZ|51 C 1S|2PX|2PY|2PZ|52 C 1S|2PX|2PY|2PZ|53 C 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1.08875 0.98893 0.97649 0.92167 1.10150 0.96422 0.94478 1.00559 1.09950 0.97287 0.94701 0.96685 1.09952 0.98579 0.98614 0.90219 1.10535 0.94231 0.98320 0.98515 1.10934 0.96536 0.94114 1.01177 1.09967 0.98598 0.94679 0.95221 1.11423 0.96002 0.95603 0.97863 1.10271 0.95058 0.95260 0.98205 1.10342 0.98221 0.98162 0.94856 1.10387 0.94575 0.98772 0.96386 1.10145 0.98650 0.97935 0.93891 1.09972 0.98435 0.95432 0.95879 1.09597 0.94327 0.96929 0.97946 1.09292 0.94258 0.97957 0.98701 1.10079 0.97103 0.94868 0.98361 1.09233 0.98304 0.93915 0.98119 1.10928 0.94637 0.97743 0.96889 1.10711 0.97948 0.95689 0.95381 1.11384 0.99158 0.98888 0.92477 1.09944 0.94262 0.96977 0.96996 1.10867 0.95153 0.94892 0.98516 1.10440 0.99168 0.94505 0.97586 1.09540 0.94413 0.98191 0.96863 1.12288 0.95350 0.98506 0.96020 1.10504 0.93716 0.95409 0.98548 1.09525 0.95438 0.96661 0.97659 1.09084 0.98046 0.97116 0.93150 1.10430 0.94822 0.98308 0.97833 1.10023 0.96477 0.94536 1.00778 1.09654 0.98268 0.93254 0.96682 1.10209 0.97849 0.96204 0.95079 1.10853 0.98082 0.97121 0.95247 1.10916 0.96901 0.94034 0.97872 1.10487 0.94844 0.96075 0.98857 1.09727 0.99620 0.96590 0.95171 1.10123 0.97651 0.92844 0.97127 1.10229 0.94401 0.98346 0.94943 1.12022 0.94337 1.01057 0.95813 1.09503 0.93407 0.97166 0.96899 1.08977 0.97849 0.96821 0.96616 1.10583 0.95006 0.98029 0.96153 1.10979 0.99838 0.95746 0.96676 1.10286 0.97603 0.98317 0.93214 1.10400 0.93937 0.98809 0.99118 1.08797 0.98714 0.94083 0.94933 1.10330 0.96950 0.94570 0.99420 1.08973 0.99127 0.97411 0.94130 1.10821 0.98558 0.95066 0.96889 1.09285 0.93987 0.98896 0.96475 1.10071 0.94251 0.97592 0.98772 1.08728 0.98189 0.98691 0.92475 1.10835 0.93931 0.99883 0.96269 1.10295 0.98683 0.93151 0.98158 1.11149 0.96775 0.94274 0.99861 1.09975 0.98802 0.99250 0.92286 1.09205 0.98029 0.93150 0.97239 1.10613 0.95245 0.98481 0.97110 1.11531 0.95328 0.94367 0.98956 1.11099 0.99531 0.96808 0.94267 1.10288 0.97550 0.94867 0.97444 1.08975 0.95609 0.97443 0.97394 1.10396 0.94377 0.96819 0.96374 1.08363 0.98628 0.92932 0.97740 1.11793 0.98176 0.95982 0.97328 1.08931 0.95061 0.99747 0.97288 1.08288 0.94088 0.97739 0.96028 1.11722 0.93558 0.98838 0.97826 1.09977 0.91638 0.97982 0.97924 1.10661 1.00201 0.96833 0.94759 1.10701 0.95706 0.95704 0.97642 1.11231 0.98470 0.93393 1.00512 1.10734 0.95508 0.96825 0.97020 1.09647 0.97327 0.99050 0.91930 1.10469 0.96934 0.98007 0.95210 1.11153 0.98053 0.95198 0.97051 1.10432 0.97055 0.95365 0.96535 1.10649 0.97056 0.99218 0.92859 1.09830 0.95397 0.99274 0.93965 1.10597 0.96830 0.93509 0.97464 1.12734 1.00511 0.96306 0.95221 1.08544 0.92966 1.01246 0.98080 1.09462 0.92250 0.97230 0.96788 1.11604 0.95812 0.94707 0.99893 1.11808 0.94794 0.95744 0.97646 1.07870 0.96140 0.98972 0.97105 1.08667 0.97710 0.98379 0.92082 1.11314 0.98150 0.95823 0.97590 1.08133 0.93673 0.98238 0.98117 1.09498 0.96889 0.95142 0.96597 1.10089 0.98812 0.96513 0.95401 1.10917 0.98329 0.97297 0.94691 1.09759 0.95753 0.99199 0.95043 1.10352 0.97018 0.95540 0.97325 1.09596 0.94410 0.97029 0.98356 1.08147 0.99882 0.93225 0.97401 1.09307 0.98431 0.97508 0.95664 1.10960 0.95028 0.96696 0.98028 1.10042 0.96039 0.95834 0.97194 1.11138 0.96863 0.98789 0.94342 1.08662 0.97864 0.98669 0.94519 1.09258 0.96390 0.95482 0.98534 1.10767 0.97858 0.95243 0.95969 1.11003 0.97832 0.91835 0.98141 1.08817 0.97893 0.97297 0.94158 1.09538 0.95109 0.97473 0.98017 1.10492 0.95343 1.01619 0.94383 1.12149 0.98106 0.97748 0.95554 1.11294 0.94577 0.96710 0.95736 1.12877 0.97447 0.95808 0.97695 1.09275 0.96321 0.92169 0.97744 1.10533 0.98314 0.90686 0.98182 1.10467 0.95250 0.96224 0.97730 1.10208 0.98155 0.94853 0.96298 1.12281 0.96310 1.00491 0.94640 1.12507 1.00907 0.93794 0.96743 1.09402 0.97021 0.94932 0.96204 1.08030 0.95172 0.99645 0.97707 1.10910 0.92262 0.95787 0.98201 1.11222 0.97799 0.93109 0.97506 1.11286 0.95761 0.96807 0.99126 1.08137 0.96988 0.98201 0.92689 1.09925 0.96941 1.00210 0.93622 1.09492 0.97998 0.96117 0.97622 1.09903 0.98675 0.96269 0.92962 1.10392 0.95530 0.94860 0.97973 1.10718 0.95098 0.96673 0.99069 1.11333 0.96092 0.97530 0.95238 1.09185 0.96619 0.98104 0.96039 1.09361 0.96503 0.95282 0.97987 1.10687 0.99259 0.95920 0.94675 1.10111 0.97545 0.94159 0.99013 1.09626 0.96336 0.96699 0.98035 1.09462 0.97196 0.97899 0.94841 1.09315 0.98349 0.96486 0.94926 1.10390 0.94639 0.99042 0.97061 1.10009 0.92287 0.98469 0.97596 1.10520 1.00179 0.95428 0.95540 1.10513 0.97132 0.95258 0.97286 1.10243 0.97347 0.93410 0.98544 1.11844 0.97457 0.95884 0.98175 1.09764 0.95411 1.00301 0.95161 1.09586 0.96323 0.97762 0.93745 1.10405 0.96927 0.97356 0.97748 1.08065 0.98711 0.97405 0.93234 1.09973 0.94663 0.97362 0.99718 1.09645 0.97181 0.97257 0.92960 1.10266 1.00282 0.92967 0.98294 1.10176 0.95883 0.97576 0.95443 1.10600 0.92931 0.97490 0.97859 1.10519 0.96246 0.97227 0.97468 1.09496 0.96066 0.95086 0.98674 1.09985 0.98040 0.95171 0.96915 1.09749 0.92340 0.98866 0.97830 1.09499 0.96975 0.97659 0.95775 1.09092 0.97304 0.91749 0.98525 1.10062 0.93290 0.97998 1.00427 1.12881 0.96984 1.00137 0.93726 1.10289 0.98914 0.96348 0.93604 1.09796 0.98711 0.96101 0.94417 1.08996 0.97766 0.95973 0.97352 1.09001 0.97085 0.97239 0.95918 1.11275 0.92356 0.98841 0.98933 1.09718 0.97867 0.95305 0.97612 1.09255 0.98148 0.97703 0.94887 1.09817 0.95700 0.96112 0.98124 1.10528 0.95592 0.96829 0.97178 1.09184 0.97411 0.91772 0.97815 1.10594 0.94737 0.95766 0.99486 1.10893 0.98405 0.97279 0.93602 1.10405 0.98250 1.00321 0.93925 1.10808 0.99476 0.94972 0.97135 1.10076 0.97074 0.97232 0.92232 1.11252 0.93806 0.97907 1.00620 1.09000 0.92804 0.98093 0.97115 1.12274 0.98127 0.93112 0.98354 1.09271 0.94636 0.97702 0.97616 1.10270 0.98143 0.97947 0.94559 1.10157 0.95878 0.98723 0.94387 1.10201 0.97410 0.93007 0.98600 1.09346 0.95838 0.97866 0.96773 1.10048 0.97614 0.95775 0.95771 1.10503 0.97607 0.97697 0.94583 1.09755 0.95696 0.96216 0.97605 1.10007 0.98212 0.97768 0.93628 1.10169 0.96463 0.96731 0.97486 1.09751 0.95215 0.96474 0.98572 1.10871 0.98394 0.92749 0.97750 1.11496 0.96695 0.95495 0.97238 1.08689 0.93009 0.98677 0.98241 1.11965 0.96552 1.00573 0.93963 1.10151 0.97096 0.96138 0.98454 1.10286 0.92740 0.97229 0.98984 1.09188 0.97277 0.97515 0.94613 1.10316 0.98869 0.97799 0.93795 1.13658 0.97000 0.96260 0.96090 1.10503 0.97724 0.94587 0.97890 1.09258 0.96632 0.99454 0.93452 1.09563 0.93182 0.94982 0.99910 1.09209 0.94607 0.95388 0.98231 1.08972 0.95994 0.99758 0.94001 1.11779 1.00171 0.94945 0.95954 1.10817 0.98289 0.93715 0.98016 1.10422 0.97055 0.97981 0.93528 1.13300 0.96273 1.00043 0.94696 1.08811 0.98076 0.93010 0.96295 1.09533 0.96121 0.96847 0.97671 1.09918 0.93851 0.97758 0.99532 1.09791 0.98169 0.93188 0.97222 1.10494 0.97490 0.94082 0.96477 1.11202 0.97421 0.97809 0.95607 1.09970 0.93659 0.96024 0.97907 1.09435 0.93422 0.99546 0.98143 1.10682 0.97820 0.94034 0.96953 1.09713 0.99205 0.97010 0.96568 1.10136 0.93596 0.96407 0.98898 1.09648 0.97359 0.94608 0.99338 1.11263 0.99033 0.97891 0.93372 1.09220 0.96419 0.98305 0.93965 1.11582 0.95436 0.98893 0.94167 1.10276 0.95729 0.97500 0.97182 1.09555 0.97025 0.97983 0.94575 1.11759 0.99156 0.93472 0.97526 1.09003 0.95321 0.96402 0.98364 1.09015 0.98989 0.97525 0.94681 1.09016 0.94664 0.96494 0.97864 1.10872 0.95658 0.96207 0.97613 1.10795 0.96268 0.95730 0.98532 1.10853 0.94906 0.96101 0.99629 1.08864 0.96650 0.98571 0.94064 1.10508 0.97655 0.98768 0.92880 1.07993 0.94481 0.95310 0.97821 1.10635 0.96570 1.00487 0.94033 1.11899 0.98020 0.93879 0.95936 1.10578 0.97020 0.98153 0.96307 1.11598 0.92932 0.97845 0.99269 1.10363 0.98284 0.90082 0.97779 1.13201 0.97122 0.94504 0.98262 1.10971 0.97314 0.92386 0.97557 1.11505 0.94177 0.95867 0.99276 1.10598 0.97522 0.94848 0.98901 1.09237 0.96567 0.98025 0.94424 1.10780 0.96656 0.97554 0.93986 1.11601 0.98387 0.98058 0.93675 1.10294 0.97421 0.96708 0.96933 1.10521 0.95958 0.96051 0.96369 1.08502 0.96581 0.96352 0.95740 1.08849 0.97306 0.99383 0.96311 1.09127 0.96668 0.93012 0.97509 1.09386 0.96635 1.01718 0.94838 1.09242 0.97948 0.93278 0.97134 1.11010 0.98784 0.97600 0.92105 1.09563 0.99900 0.94574 0.99173 1.10869 0.95157 0.95801 0.99559 1.09480 0.94435 0.96940 0.94886 1.14702 0.98344 0.97279 0.96516 1.10473 0.88522 0.98200 0.99461 1.11931 1.01185 0.95101 0.95526 1.09075 0.89625 0.95841 0.98304 1.09400 0.97142 0.99371 0.93348 1.11119 0.95376 0.97632 0.96535 1.09859 0.97516 0.93865 0.98639 1.10772 0.98494 0.92903 0.97311 1.09567 0.98331 0.95081 0.97025 1.10168 0.97225 0.94936 0.96795 1.11085 0.96989 0.95838 0.97140 1.10324 0.95941 0.96328 0.96293 1.10382 0.99937 0.97820 0.93314 1.10431 0.98360 0.93953 0.96826 1.09425 0.92995 0.97603 0.98906 1.10724 0.92616 1.00092 0.97352 1.09748 0.96264 0.97309 0.96238 1.10412 0.95740 0.96195 0.96049 1.10175 0.93547 0.98100 0.98658 1.10177 0.97373 0.95027 0.97771 1.11988 0.97385 0.99115 0.92426 1.10026 0.96637 0.98401 0.96882 1.11538 0.96240 0.93462 0.99487 1.09162 0.97429 0.94524 0.97383 1.11071 1.00675 0.95300 0.95752 1.10781 0.95896 0.96672 0.96379 1.10237 0.98577 0.96290 0.97142 1.10366 0.90005 0.98505 0.98056 1.08865 0.98005 0.99262 0.93980 1.09720 0.94677 0.97695 0.94939 1.12126 0.97848 0.95503 0.97205 1.10370 0.96195 0.97056 0.95119 1.09497 0.97887 0.99306 0.90903 1.08637 0.96060 0.97677 0.97230 1.09220 0.97094 0.94944 0.97811 1.12976 0.96283 0.94409 0.99796 1.09047 0.99271 0.97503 0.92709 1.10956 0.96905 0.94045 0.97666 1.09590 0.93214 1.00000 0.97614 1.09986 0.93839 0.97964 0.99432 1.11116 0.97687 0.98364 0.94799 1.11343 0.91173 0.97614 0.97640 1.10407 1.03631 0.93005 0.96728 1.09329 0.97480 0.93404 0.98677 1.09806 0.97365 0.98061 0.93916 1.10078 0.98346 0.93288 0.97915 1.10845 0.95399 0.99272 0.96050 1.08273 0.95441 0.96390 0.99828 1.09571 0.97636 0.94801 0.98395 1.10257 0.94830 0.96264 0.98684 1.08545 0.97480 0.99127 0.94137 1.10212 0.99632 0.96828 0.93972 1.08853 0.97875 0.98102 0.94751 1.08660 0.95776 0.97692 0.96134 1.10483 0.98773 0.96420 0.95267 1.11057 0.96069 0.95695 0.97917 1.10398 0.99765 0.92705 0.97268 1.11573 1.00151 0.96458 0.94411 1.10112 0.92834 1.00104 0.97426 1.09682 0.92536 0.98102 0.98166 1.10654 0.95890 0.97038 0.97550 1.09575 0.97389 0.96819 0.94892 1.09292 0.95140 0.97268 0.98814 1.09884 0.98231 0.97254 0.93415 1.11173 0.98267 0.92988 0.98472 1.10641 0.96183 0.97410 0.97580 1.09077 0.96144 0.99093 0.94657 1.09126 0.96729 0.97490 0.94697 1.09864 0.97853 0.95756 0.97424 1.09156 0.94390 0.96355 0.98538 1.10896 0.98055 0.97816 0.94790 1.09540 0.92877 0.98669 0.97401 1.09571 0.98157 0.91926 0.99052 1.09492 0.95621 0.98047 0.95789 1.11145 0.96518 0.98735 0.94786 1.10486 0.95891 0.97165 0.96993 1.10186 0.97811 0.96737 0.94813 1.12369 0.97773 0.96024 0.96658 1.10231 0.96873 0.97346 0.93697 1.09346 0.95922 0.97788 0.97017 1.09964 0.98794 0.93376 0.97499 1.09856 0.98206 0.97079 0.94675 1.10111 0.95319 0.96892 0.97167 1.09882 0.95230 0.96856 0.97762 1.11005 0.94302 0.97736 0.97218 1.09780 0.91617 0.97866 0.98931 1.09759 0.97849 0.95324 0.97559 1.10587 0.97870 0.96669 0.95458 1.10209 0.97400 0.95390 0.98518 1.11789 0.93890 0.97861 0.98655 1.09340 0.98839 0.96638 0.94002 1.09070 0.98265 0.97834 0.93437 1.09613 0.98260 0.92455 0.98028 1.12029 0.97759 0.98859 0.94334 1.08957 0.94941 0.94551 0.99280 1.11241 0.94230 1.00871 0.96981 1.09759 0.97144 0.94468 0.99768 1.10130 0.95421 0.95223 0.98531 1.09266 0.97509 0.98423 0.95098 1.09884 0.96612 0.96453 0.95467 1.09520 0.97187 0.92414 0.98053 1.11107 0.96116 0.97007 0.97437 1.10866 0.95939 0.97604 0.95451 1.11329 0.96141 1.00002 0.94418 1.09388 0.99927 0.92907 0.98075 1.09704 0.95029 0.98000 0.95134 1.11514 0.94301 0.97176 0.98820 1.09597 0.94287 0.97566 0.97501 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-MAGINET221 MASIP 04-Jul-2025 0 C1M 0 1 Version=ES64L-G16RevA.03 State=1-A HF=-3026.1708299 RMSD=4.412e-09 PG=C01 [X(C540)] 0 92.387001 136.617004 60.376999 0 92.936996 135.686996 61.356998 0 91.027 136.837006 60.437 0 92.167 135.007004 62.257 0 92.366997 133.617004 62.617001 0 93.987 134.927002 60.696999 0 94.196999 133.617004 61.007 0 93.366997 132.906998 61.987 0 91.037003 136.787003 57.957001 0 92.476997 136.576996 57.937 0 90.317001 136.906998 59.146999 0 93.107002 136.466995 59.126999 0 94.097 135.406998 59.337002 0 92.757004 135.626999 56.856998 0 93.667 134.597 57.087002 0 94.417 134.537003 58.306999 0 88.406998 135.606995 58.266998 0 89.196999 135.386993 57.067001 0 88.987 136.307007 59.306999 0 90.427002 135.996994 56.896999 0 91.497002 135.266998 56.207001 0 88.876999 134.057007 56.527 0 89.927002 133.386993 55.907001 0 91.257004 133.987 55.797001 0 88.317001 134.617004 60.977001 0 87.717003 133.837006 59.887001 0 88.917 135.817001 60.687 0 87.766998 134.326996 58.577 0 88.027 133.367004 57.497002 0 87.866997 132.436996 60.176998 0 88.167 131.546997 59.157001 0 88.306999 132.046997 57.817001 0 90.737 135.296997 62.286999 0 90.016998 134.037003 62.626999 0 90.156998 136.167007 61.387001 0 88.866997 133.686996 61.957001 0 88.607002 132.356995 61.446999 0 91.037003 133.016998 62.786999 0 90.787003 131.737 62.286999 0 89.537003 131.367004 61.606998 0 89.957001 130.417007 58.097 0 89.237 130.576996 59.356998 0 89.857002 130.417007 60.577 0 91.317001 130.177002 58.117001 0 91.607002 131.727005 56.237 0 90.147003 131.966995 56.187 0 89.376999 131.326996 57.126999 0 92.167 130.856995 57.146999 0 94.107002 132.347 57.527 0 93.497002 133.257004 56.567001 0 92.296997 132.977005 55.917 0 93.417 131.207001 57.837002 0 93.876999 131.427002 60.257 0 94.537003 132.697006 59.917 0 94.626999 133.147003 58.606998 0 93.317001 130.737 59.216999 0 91.317001 130.197006 60.577 0 91.887001 130.996994 61.667 0 93.156998 131.546997 61.536999 0 92.007004 130.117004 59.396999 0 80.577003 124.116997 68.027 0 81.927002 123.647003 68.257004 0 79.836998 123.537003 66.987 0 82.467003 122.677002 67.457001 0 83.866997 122.696999 67.037003 0 82.766998 124.796997 68.567001 0 84.056999 124.847 68.167 0 84.647003 123.787003 67.376999 0 78.967003 125.747002 66.327003 0 79.827003 126.317001 67.347 0 79.037003 124.387001 66.116997 0 80.527 125.546997 68.247002 0 81.866997 125.957001 68.537003 0 80.296997 127.616997 66.897003 0 81.556999 128.037003 67.257004 0 82.376999 127.177002 68.137001 0 79.086998 124.686996 63.676998 0 79.056999 126.116997 63.926998 0 79.046997 123.836998 64.766998 0 78.997002 126.667 65.186996 0 79.806999 127.836998 65.546997 0 79.936996 126.726997 62.907001 0 80.677002 127.827003 63.257 0 80.626999 128.417007 64.597 0 80.757004 122.406998 63.687 0 80.827003 123.357002 62.606998 0 79.917 122.667 64.757004 0 79.967003 124.436996 62.567001 0 80.507004 125.686996 62.056999 0 82.207001 123.436996 62.056999 0 82.686996 124.647003 61.567001 0 81.817001 125.806999 61.687 0 81.696999 122.046997 66.387001 0 82.586998 121.866997 65.266998 0 80.446999 122.537003 66.097 0 82.147003 122.027 63.966999 0 83.016998 122.656998 62.966999 0 83.957001 122.207001 65.656998 0 84.766998 122.777 64.717003 0 84.247002 123.016998 63.356998 0 83.967003 126.516998 62.257 0 84.007004 125.077003 61.997002 0 84.796997 124.266998 62.806999 0 84.757004 127.046997 63.237 0 82.866997 128.576996 63.827 0 82.077003 127.946999 62.786999 0 82.626999 126.997002 61.957001 0 84.167 128.106995 64.086998 0 83.817001 128.167007 66.527 0 82.467003 128.606995 66.277 0 81.997002 128.766998 64.967003 0 84.637001 127.887001 65.457001 0 85.487 125.876999 66.556999 0 84.567001 126.126999 67.677002 0 83.747002 127.226997 67.656998 0 85.516998 126.717003 65.457001 0 85.577003 124.847 63.896999 0 85.537003 123.936996 65.056999 0 85.487 124.427002 66.327003 0 85.577003 126.226997 64.097 0 90.647003 129.186996 67.366997 0 90.667 128.697006 68.717003 0 91.277 130.397003 67.056999 0 91.397003 129.337006 69.707001 0 90.876999 129.477005 71.086998 0 89.397003 128.076996 69.027 0 88.866997 128.276993 70.287003 0 89.637001 128.936996 71.347 0 89.387001 131.106995 65.667 0 88.707001 129.856995 66.046997 0 90.637001 131.367004 66.177002 0 89.327003 128.917007 66.847 0 88.537003 128.227005 67.857002 0 87.306999 130.167007 66.217003 0 86.556999 129.546997 67.207001 0 87.217003 128.546997 68.037003 0 90.037003 133.697006 66.667 0 88.707001 133.427002 66.116997 0 90.997002 132.697006 66.667 0 88.406998 132.177002 65.656998 0 87.107002 131.587006 65.987 0 87.726997 134.197006 66.887001 0 86.476997 133.647003 67.207001 0 86.167 132.317001 66.696999 0 91.686996 133.376999 68.917 0 90.717003 134.466995 68.857002 0 91.836998 132.516998 67.847 0 89.906998 134.617004 67.757004 0 88.467003 134.966995 67.876999 0 90.207001 134.636993 70.207001 0 88.847 134.876999 70.296997 0 87.957001 135.007004 69.167 0 92.007004 130.606995 69.397003 0 91.936996 131.496994 70.507004 0 91.987 131.097 68.116997 0 91.737 132.826996 70.247002 0 90.836998 133.617004 71.067001 0 91.147003 130.837006 71.537003 0 90.266998 131.567001 72.306999 0 90.056999 132.966995 71.997002 0 86.747002 133.947006 70.906998 0 88.086998 134.216995 71.376999 0 88.656998 133.276993 72.226997 0 86.086998 132.766998 71.247002 0 85.327003 132.496994 68.927002 0 85.927002 133.787003 68.577003 0 86.667 134.427002 69.527 0 85.327003 132.037003 70.237 0 85.686996 129.776993 69.387001 0 85.586998 130.266998 67.997002 0 85.457001 131.606995 67.787003 0 85.487 130.617004 70.476997 0 87.317001 129.427002 71.647003 0 87.467003 128.576996 70.467003 0 86.656998 128.707001 69.387001 0 86.357002 130.457001 71.647003 0 88.007004 132.046997 72.586998 0 88.976997 130.957001 72.567001 0 88.686996 129.686996 72.147003 0 86.737 131.787003 72.107002 0 98.077003 132.567001 69.237 0 96.707001 132.117004 69.487 0 98.717003 132.167007 68.077003 0 96.116997 131.246994 68.597 0 95.287003 130.106995 69.086998 0 96.597 131.886993 70.917 0 95.857002 130.787003 71.357002 0 95.156998 129.886993 70.446999 0 100.827003 131.766998 69.306999 0 100.107002 132.156998 70.516998 0 100.126999 131.746994 68.126999 0 98.787003 132.587006 70.487 0 97.866997 132.207001 71.537003 0 100.597 131.337006 71.616997 0 99.717003 130.987 72.616997 0 98.306999 131.397003 72.577003 0 101.207001 129.606995 67.487 0 101.887001 129.626999 68.777 0 100.336998 130.647003 67.196999 0 101.717003 130.697006 69.677002 0 101.607002 130.436996 71.107002 0 102.067001 128.276993 69.287003 0 101.906998 128.046997 70.647003 0 101.686996 129.156998 71.556999 0 98.686996 129.007004 66.336998 0 99.616997 127.946999 66.626999 0 99.027 130.317001 66.616997 0 100.806999 128.216995 67.266998 0 101.327003 127.387001 68.366997 0 98.836998 126.827003 67.126999 0 99.266998 126.027 68.177002 0 100.567001 126.336998 68.806999 0 96.757004 130.847 67.357002 0 96.406998 129.466995 67.077003 0 98.037003 131.266998 67.137001 0 97.317001 128.567001 66.546997 0 97.427002 127.226997 67.147003 0 95.527 129.016998 68.156998 0 95.567001 127.726997 68.626999 0 96.537003 126.777 68.086998 0 99.046997 125.656998 70.476997 0 98.327003 125.567001 69.207001 0 97.027 125.957001 69.186996 0 98.397003 126.037003 71.647003 0 100.327003 127.387001 72.317001 0 101.056999 126.936996 71.126999 0 100.406998 126.126999 70.237 0 99.067001 126.906998 72.597 0 98.436996 129.147003 73.376999 0 99.806999 129.617004 73.126999 0 100.737 128.746994 72.607002 0 98.086998 127.827003 73.167 0 95.967003 128.567001 72.207001 0 96.387001 129.947006 72.427002 0 97.556999 130.237 73.077003 0 96.787003 127.516998 72.537003 0 96.287003 126.347 70.387001 0 95.427002 127.467003 70.067001 0 95.266998 128.537003 70.946999 0 96.987 126.406998 71.577003 0 97.677002 135.296997 66.806999 0 98.717003 136.287003 66.777 0 96.946999 135.007004 65.696999 0 98.817001 137.037003 65.637001 0 99.097 138.466995 65.656998 0 98.677002 136.966995 68.077003 0 98.897003 138.337006 68.107002 0 99.097 139.106995 66.887001 0 94.906998 134.757004 67.056999 0 95.686996 135.057007 68.257004 0 95.516998 134.757004 65.817001 0 97.056999 135.296997 68.126999 0 97.717003 136.307007 68.946999 0 94.917 135.837006 69.226997 0 95.546997 136.826996 69.936996 0 96.967003 137.106995 69.777 0 93.567001 135.897003 64.847 0 92.936996 135.927002 66.156998 0 94.827003 135.347 64.696999 0 93.656998 135.457001 67.257004 0 93.607002 136.046997 68.597 0 92.277 137.237 66.347 0 92.376999 137.886993 67.537003 0 92.997002 137.266998 68.677002 0 95.556999 137.156998 63.237 0 94.266998 137.796997 63.477001 0 95.827003 135.977005 63.876999 0 93.287003 137.177002 64.196999 0 92.476997 137.987 65.086998 0 94.446999 139.227005 63.457001 0 93.677002 139.977005 64.296997 0 92.667 139.367004 65.147003 0 98.056999 136.737 64.457001 0 97.787003 137.987 63.777 0 97.156998 135.727005 64.467003 0 96.567001 138.216995 63.196999 0 95.876999 139.507004 63.297001 0 98.376999 139.046997 64.537003 0 97.766998 140.266998 64.696999 0 96.497002 140.516998 64.027 0 93.696999 141.126999 66.366997 0 94.357002 141.026993 65.067001 0 95.677002 141.307007 64.917 0 94.436996 141.376999 67.497002 0 93.277 139.617004 68.827003 0 92.516998 139.356995 67.597 0 92.626999 140.097 66.406998 0 94.266998 140.557007 68.707001 0 95.836998 139.156998 69.976997 0 94.817001 138.117004 70.037003 0 93.577003 138.326996 69.467003 0 95.556999 140.386993 69.366997 0 97.836998 140.447006 68.376999 0 98.077003 139.156998 69.007004 0 97.137001 138.557007 69.777 0 96.567001 141.016998 68.497002 0 96.476997 141.617004 66.107002 0 97.787003 140.987 65.967003 0 98.366997 140.356995 67.037003 0 95.866997 141.617004 67.357002 0 76.747002 136.287003 70.277 0 76.696999 136.826996 68.927002 0 77.906998 136.386993 71.027 0 77.827003 137.417007 68.406998 0 78.186996 137.177002 66.997002 0 75.876999 135.966995 68.097 0 76.226997 135.737 66.796997 0 77.397003 136.356995 66.196999 0 77.567001 134.087006 71.787003 0 76.336998 133.977005 71.007004 0 78.317001 135.237 71.806999 0 75.967003 135.067001 70.266998 0 75.406998 134.876999 68.927002 0 76.226997 132.617004 70.516998 0 75.696999 132.447006 69.257004 0 75.277 133.587006 68.427002 0 80.387001 133.886993 71.686996 0 79.577003 132.647003 71.717003 0 79.766998 135.126999 71.757004 0 78.217003 132.776993 71.717003 0 77.376999 131.837006 70.957001 0 80.177002 131.697006 70.796997 0 79.406998 130.856995 70.046997 0 77.936996 130.947006 70.107002 0 81.327003 135.957001 70.016998 0 81.967003 134.656998 69.946999 0 80.277 136.186996 70.917 0 81.497002 133.647003 70.796997 0 81.357002 132.296997 70.257004 0 82.336998 134.367004 68.577003 0 82.177002 133.087006 68.097 0 81.686996 132.037003 68.946999 0 79.067001 137.406998 69.167 0 80.177002 137.177002 68.247002 0 79.126999 137.007004 70.487 0 81.277 136.457001 68.647003 0 81.917 135.487 67.747002 0 79.616997 136.987 66.917 0 80.177002 136.067001 66.077003 0 81.387001 135.337006 66.497002 0 80.796997 131.707001 66.777 0 81.616997 132.906998 66.757004 0 81.247002 133.966995 65.987 0 79.637001 131.636993 66.016998 0 78.487 130.557007 67.876999 0 79.726997 130.576996 68.656998 0 80.857002 131.147003 68.116997 0 78.457001 131.016998 66.577003 0 76.247002 132.026993 66.987 0 76.306999 131.487 68.336998 0 77.366997 130.716995 68.777 0 77.357002 131.837006 66.186996 0 77.167 134.177002 65.296997 0 76.116997 134.386993 66.266998 0 75.626999 133.326996 67.046997 0 77.796997 132.936996 65.306999 0 80.027 133.917007 65.177002 0 79.376999 135.216995 65.226997 0 78.016998 135.376999 65.296997 0 79.237 132.796997 65.196999 0 97.737 136.656998 77.327003 0 97.116997 137.966995 77.167 0 98.007004 135.936996 76.177002 0 96.827003 138.466995 75.906998 0 95.577003 139.207001 75.686996 0 96.177002 138.186996 78.257004 0 94.936996 138.796997 78.067001 0 94.686996 139.386993 76.737 0 97.156998 133.906998 77.296997 0 96.927002 134.686996 78.507004 0 97.667 134.537003 76.177002 0 97.217003 136.037003 78.537003 0 96.266998 136.996994 79.126999 0 95.677002 134.177002 79.077003 0 94.766998 135.087006 79.546997 0 95.037003 136.526993 79.577003 0 96.237 133.197006 74.717003 0 95.647003 132.557007 75.866997 0 97.266998 134.126999 74.827003 0 96.116997 132.897003 77.116997 0 95.196999 133.087006 78.257004 0 94.217003 132.317001 75.677002 0 93.347 132.587006 76.707001 0 93.857002 132.947006 78.027 0 96.196999 135.546997 73.126999 0 95.147003 134.576996 72.976997 0 97.247002 135.337006 74.016998 0 95.177002 133.417007 73.757004 0 93.936996 132.977005 74.397003 0 93.897003 135.276993 72.757004 0 92.717003 134.807007 73.347 0 92.726997 133.626999 74.196999 0 97.137001 137.707001 74.717003 0 96.037003 137.927002 73.787003 0 97.737 136.457001 74.827003 0 95.586998 136.867004 73.056999 0 94.156998 136.697006 72.737 0 95.067001 138.847 74.357002 0 93.707001 138.677002 74.177002 0 93.247002 137.587006 73.317001 0 91.196999 135.087006 75.137001 0 91.787003 135.716995 73.967003 0 92.037003 137.057007 73.976997 0 90.866997 135.856995 76.237 0 91.787003 134.097 77.717003 0 92.086998 133.276993 76.527 0 91.796997 133.796997 75.277 0 91.207001 135.367004 77.567001 0 92.766998 136.237 79.217003 0 93.327003 134.927002 79.397003 0 92.866997 133.847 78.656998 0 91.686996 136.477005 78.387001 0 92.656998 138.617004 77.757004 0 93.737 138.386993 78.737 0 93.766998 137.246994 79.516998 0 91.626999 137.686996 77.597 0 91.667 137.867004 75.116997 0 92.777 138.837006 75.277 0 93.266998 139.147003 76.537003 0 91.126999 137.307007 76.257004 0 84.046997 140.186996 71.647003 0 84.626999 138.876999 71.336998 0 84.857002 141.177002 72.196999 0 85.936996 138.626999 71.567001 0 86.366997 137.356995 72.116997 0 83.656998 137.856995 71.726997 0 84.077003 136.636993 72.196999 0 85.467003 136.376999 72.446999 0 83.137001 141.817001 73.827003 0 82.287003 140.766998 73.257004 0 84.406998 142.026993 73.306999 0 82.737 139.947006 72.247002 0 82.436996 138.516998 72.167 0 81.537003 140.197006 74.357002 0 81.247002 138.847 74.347 0 81.836998 138.016998 73.296997 0 85.336998 142.257004 75.577003 0 83.987 142.106995 76.137001 0 85.516998 142.237 74.226997 0 82.917 141.867004 75.287003 0 81.946999 140.837006 75.616997 0 84.126999 141.307007 77.347 0 83.177002 140.347 77.707001 0 82.067001 140.126999 76.796997 0 87.586998 140.936996 74.556999 0 87.427002 140.966995 75.997002 0 86.677002 141.516998 73.707001 0 86.296997 141.617004 76.487 0 85.537003 140.996994 77.556999 0 87.876999 139.686996 76.546997 0 87.147003 139.126999 77.546997 0 85.946999 139.787003 78.077003 0 86.827003 139.677002 72.056999 0 87.726997 139.037003 72.997002 0 86.287003 140.917007 72.417 0 88.077003 139.606995 74.207001 0 88.327003 138.847 75.427002 0 87.487 137.587006 72.997002 0 87.637001 136.856995 74.167 0 88.067001 137.487 75.427002 0 85.507004 137.516998 78.067001 0 86.836998 137.686996 77.516998 0 87.366997 136.856995 76.537003 0 84.696999 136.546997 77.577003 0 82.747002 138.037003 77.637001 0 83.597 139.046997 78.207001 0 84.927002 138.807007 78.397003 0 83.247002 136.766998 77.376999 0 82.016998 136.787003 75.247002 0 81.397003 138.087006 75.586998 0 81.787003 138.697006 76.747002 0 82.876999 136.167007 76.097 0 84.237 135.397003 74.177002 0 83.287003 136.046997 73.257004 0 82.196999 136.716995 73.806999 0 84.077003 135.537003 75.546997 0 86.457001 135.906998 75.957001 0 86.637001 135.847 74.507004 0 85.577003 135.567001 73.656998 0 85.177002 135.787003 76.446999 0 85.737 136.707001 64.147003 0 86.847 136.707001 65.097 0 85.887001 137.347 62.957001 0 87.997002 137.367004 64.726997 0 88.637001 138.266998 65.686996 0 86.306999 136.897003 66.417 0 86.927002 137.697006 67.336998 0 88.167 138.417007 66.967003 0 83.577003 138.136993 62.997002 0 83.427002 137.477005 64.296997 0 84.777 138.057007 62.337002 0 84.497002 136.807007 64.887001 0 84.847 136.897003 66.296997 0 82.656998 138.386993 65.147003 0 82.976997 138.507004 66.476997 0 84.086998 137.746994 67.046997 0 84.626999 140.386993 61.606998 0 83.366997 140.516998 62.376999 0 85.327003 139.207001 61.626999 0 82.897003 139.417007 63.077 0 82.287003 139.557007 64.387001 0 83.357002 141.796997 63.007 0 82.796997 141.936996 64.266998 0 82.277 140.776993 64.997002 0 87.467003 140.347 61.907001 0 86.766998 141.597 61.966999 0 86.777 139.167007 61.727001 0 85.376999 141.617004 61.786999 0 84.597 142.487 62.637001 0 87.457001 142.487 62.917 0 86.667 143.287003 63.737 0 85.226997 143.257004 63.587002 0 88.177002 138.026993 63.437 0 88.906998 139.257004 63.617001 0 87.126999 138.007004 62.556999 0 88.567001 140.367004 62.867001 0 88.546997 141.677002 63.487 0 89.237 139.417007 65.037003 0 89.266998 140.647003 65.626999 0 88.847 141.796997 64.857002 0 85.726997 143.507004 65.927002 0 86.967003 143.436996 65.167 0 87.997002 142.656998 65.677002 0 85.667 142.876999 67.156998 0 83.417 142.087006 66.546997 0 83.487 142.776993 65.247002 0 84.677002 143.386993 64.936996 0 84.427002 142.186996 67.507004 0 84.046997 139.867004 68.116997 0 82.957001 139.787003 67.156998 0 82.637001 140.886993 66.397003 0 84.777 141.026993 68.306999 0 86.887001 139.817001 68.366997 0 86.147003 138.576996 68.196999 0 84.747002 138.597 68.037003 0 86.226997 141.026993 68.457001 0 87.936996 142.016998 66.976997 0 88.686996 140.776993 66.946999 0 88.167 139.707001 67.656998 0 86.777 142.156998 67.707001