Orca 5.0.2 RELEASE 1 2 3 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 3s2p1d 0 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 O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 324.2442999999998 AuxInfo=1/0/N:12,13,7,8,26,24,25,19,17,22,23,20,9,16,14,11,15,21,18,5,6,10,4,2,1,3/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,22.3,24.1/rA:52nOO1OCCCCCC3C3C3CCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s15;s3s16;s17;s18s19;s3;s21;s21;s22;s23;s24s25;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:.317,-2.0104,-.7278;-.5495,-3.9112,-1.5023;3.0899,2.128,.1802;-2.1479,-1.7851,1.0348;-2.3539,-.959,-.1999;-1.9641,-2.4237,-.331;-3.3495,-2.2592,1.8186;-.9718,-1.4678,1.9274;-3.6938,-.5419,-.658;-.6797,-2.8663,-.9068;-4.0639,.6821,-1.0487;-5.4746,.9523,-1.4796;-3.1631,1.8783,-1.09;1.6175,-2.3513,-1.2141;2.5987,-1.4332,-.5467;2.3614,-.0622,-.509;3.7523,-1.9485,.0312;3.2636,.7739,.1321;4.6637,-1.0972,.6413;4.4205,.2646,.7074;1.8463,2.6609,.3828;1.5433,3.8266,-.3063;.9372,2.113,1.2812;.3241,4.4523,-.0897;-.2835,2.7429,1.4773;-.5962,3.9131,.7979;-1.5505,-.2586,-.3994;-2.77,-3.089,-.6214;-4.1713,-2.5922,1.1857;-3.7269,-1.4595,2.4597;-3.0756,-3.0966,2.4636;-.5726,-2.3708,2.3942;-1.3015,-.8066,2.7316;-.1569,-.9654,1.4125;-4.4514,-1.3204,-.6714;-5.5081,1.3196,-2.509;-5.9325,1.7294,-.8613;-6.1032,.0637,-1.4199;-2.1289,1.6621,-.8302;-3.5217,2.6492,-.4025;-3.1681,2.33,-2.0854;1.6393,-2.2313,-2.301;1.8566,-3.3915,-.9876;1.4748,.3506,-.9756;3.9376,-3.0152,.0109;5.5621,-1.5005,1.0898;5.1186,.93,1.1996;2.2617,4.2435,-1.0007;1.1731,1.2105,1.8311;.0933,5.3644,-.6246;-.9924,2.3151,2.1747;-1.5484,4.4003,.9606; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1560 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 188 Dim 1170 ENuc 2310.6973088706 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.655e-06 Time for diagonalization 0.312 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.298 sec Total time needed 0.617 sec 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 324.2442999999998 AuxInfo=1/0/N:12,13,7,8,26,24,25,19,17,22,23,20,9,16,14,11,15,21,18,5,6,10,4,2,1,3/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,22.3,24.1/rA:52nOO1OCCCCCC3C3C3CCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s15;s3s16;s17;s18s19;s3;s21;s21;s22;s23;s24s25;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:.317,-2.0104,-.7278;-.5495,-3.9112,-1.5023;3.0899,2.128,.1802;-2.1479,-1.7851,1.0348;-2.3539,-.959,-.1999;-1.9641,-2.4237,-.331;-3.3495,-2.2592,1.8186;-.9717,-1.4678,1.9274;-3.6938,-.5419,-.658;-.6797,-2.8663,-.9068;-4.0639,.6821,-1.0487;-5.4746,.9523,-1.4796;-3.1631,1.8783,-1.09;1.6175,-2.3513,-1.2141;2.5987,-1.4332,-.5467;2.3614,-.0622,-.509;3.7523,-1.9485,.0312;3.2636,.7739,.1321;4.6637,-1.0972,.6413;4.4205,.2646,.7074;1.8463,2.6609,.3828;1.5433,3.8266,-.3063;.9372,2.113,1.2812;.3241,4.4523,-.0897;-.2835,2.7429,1.4773;-.5962,3.9131,.7979;-1.5505,-.2586,-.3994;-2.77,-3.089,-.6214;-4.1713,-2.5922,1.1857;-3.7269,-1.4595,2.4597;-3.0756,-3.0966,2.4636;-.5726,-2.3708,2.3942;-1.3015,-.8066,2.7316;-.1569,-.9654,1.4125;-4.4514,-1.3204,-.6714;-5.5081,1.3196,-2.509;-5.9325,1.7294,-.8613;-6.1032,.0637,-1.4199;-2.1289,1.6621,-.8302;-3.5217,2.6492,-.4025;-3.1681,2.33,-2.0854;1.6393,-2.2313,-2.301;1.8566,-3.3915,-.9876;1.4748,.3506,-.9756;3.9376,-3.0152,.0109;5.5621,-1.5005,1.0898;5.1186,.93,1.1996;2.2617,4.2435,-1.0007;1.1731,1.2105,1.8311;.0933,5.3644,-.6246;-.9924,2.3151,2.1747;-1.5484,4.4003,.9606; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 324.2442999999998 AuxInfo=1/0/N:12,13,7,8,26,24,25,19,17,22,23,20,9,16,14,11,15,21,18,5,6,10,4,2,1,3/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,22.3,24.1/rA:52nOO1OCCCCCC3C3C3CCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s15;s3s16;s17;s18s19;s3;s21;s21;s22;s23;s24s25;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:.317,-2.0104,-.7278;-.5495,-3.9112,-1.5023;3.0899,2.128,.1802;-2.1479,-1.7851,1.0348;-2.3539,-.959,-.1999;-1.9641,-2.4237,-.331;-3.3495,-2.2592,1.8186;-.9718,-1.4678,1.9274;-3.6938,-.5419,-.658;-.6797,-2.8663,-.9068;-4.0639,.6821,-1.0487;-5.4746,.9523,-1.4796;-3.1631,1.8783,-1.09;1.6175,-2.3513,-1.2141;2.5987,-1.4332,-.5467;2.3614,-.0622,-.509;3.7523,-1.9485,.0312;3.2636,.7739,.1321;4.6637,-1.0972,.6413;4.4205,.2646,.7074;1.8463,2.6609,.3828;1.5433,3.8266,-.3063;.9372,2.113,1.2812;.3241,4.4523,-.0897;-.2835,2.7429,1.4773;-.5962,3.9131,.7979;-1.5505,-.2586,-.3994;-2.77,-3.089,-.6214;-4.1713,-2.5922,1.1857;-3.7269,-1.4595,2.4597;-3.0756,-3.0966,2.4636;-.5726,-2.3708,2.3942;-1.3015,-.8066,2.7316;-.1569,-.9654,1.4125;-4.4514,-1.3204,-.6714;-5.5081,1.3196,-2.509;-5.9325,1.7294,-.8613;-6.1032,.0637,-1.4199;-2.1289,1.6621,-.8302;-3.5217,2.6492,-.4025;-3.1681,2.33,-2.0854;1.6393,-2.2313,-2.301;1.8566,-3.3915,-.9876;1.4748,.3506,-.9756;3.9376,-3.0152,.0109;5.5621,-1.5005,1.0898;5.1186,.93,1.1996;2.2617,4.2435,-1.0007;1.1731,1.2105,1.8311;.0933,5.3644,-.6246;-.9924,2.3151,2.1747;-1.5484,4.4003,.9606; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O C H 1.6280 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3079 GEPOL Volume 2521.5686 GEPOL Surface-area 1473.9446 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1117.86785012 2310.69730887 -3428.56515899 -6110.00113552 2681.43597653 -0.02603204 -2230.67779950 1112.80994938 2.00454516 93.999987378624 93.999987378624 187.999974757249 -110.229670343344 0 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 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967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 2.0000 2.0000 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15.8780 15.9364 16.0370 16.1159 16.1599 16.3155 16.3644 16.4711 16.5341 16.6051 16.6815 16.7885 16.8961 17.0152 17.0583 17.1657 17.2789 17.4816 17.5560 17.6562 17.7942 17.9719 18.0105 18.3569 18.3860 18.5115 18.7190 18.8093 18.9730 19.1616 19.2652 19.4613 19.7200 19.7572 19.7963 19.9608 20.1219 20.2200 20.3171 20.4757 20.5976 20.6874 20.7568 20.9073 21.0136 21.0972 21.2649 21.4317 21.5455 21.7597 21.8047 21.8459 21.9243 22.0455 22.1832 22.3422 22.5882 22.6641 22.8849 23.1536 23.3414 23.3933 23.5502 23.6317 23.7913 23.8909 23.9594 24.0634 24.2483 24.4848 24.5395 24.7146 24.8554 24.9371 25.0859 25.2254 25.2360 25.3235 25.5763 25.6976 26.0506 26.1990 26.3439 26.4876 26.5443 26.5618 26.7937 26.9502 27.1441 27.3116 27.3868 27.5064 27.6609 27.9134 28.0541 28.1445 28.2063 28.3582 28.4114 28.5358 28.8048 28.8991 28.9509 29.0727 29.2647 29.4560 29.5526 29.5886 29.7461 29.8236 29.9644 30.0927 30.2530 30.2735 30.5104 30.5646 30.7023 30.8231 30.9876 31.1857 31.3003 31.4902 31.5620 31.6130 31.7920 31.9872 32.0179 32.1660 32.2110 32.4097 32.4733 32.4997 32.7431 32.8813 32.9418 33.0003 33.2930 33.3643 33.4205 33.4910 33.6741 33.8816 33.9461 34.0986 34.1509 34.3687 34.6311 34.6655 34.8113 34.8431 35.0206 35.1249 35.2603 35.5573 35.5923 35.8971 36.0025 36.1307 36.2307 36.5228 36.6578 36.7435 36.7597 36.9291 37.0632 37.2548 37.3629 37.4665 37.5890 37.6818 37.8283 37.9609 38.0998 38.1587 38.3065 38.4259 38.5928 38.6257 38.7073 38.8614 38.9282 39.0123 39.1765 39.3169 39.3584 39.5766 39.6550 39.8117 39.9771 40.0456 40.1979 40.2844 40.3114 40.4740 40.7914 40.8657 40.9819 41.1654 41.2111 41.3250 41.4478 41.7369 41.9273 42.0437 42.0999 42.3226 42.4218 42.5045 42.6306 42.6977 42.7819 42.9591 43.0668 43.2168 43.3246 43.3383 43.4159 43.6886 43.7217 43.9902 44.0584 44.2516 44.3061 44.3514 44.4648 44.5507 44.7942 45.0017 45.1124 45.1580 45.1964 45.4305 45.5435 45.7512 46.0221 46.1260 46.3778 46.4484 46.5163 46.6353 46.6436 46.8539 46.9520 47.1810 47.2176 47.3383 47.4726 47.5603 47.6772 48.0159 48.2612 48.2977 48.4155 48.6161 48.7352 48.8534 49.1118 49.2532 49.3704 49.4804 49.7585 49.8615 50.1945 50.2660 50.6212 50.6371 50.7150 50.8501 51.1381 51.5414 51.7018 51.8469 51.9260 52.4089 52.5817 52.6770 52.9989 53.2396 53.5463 53.6785 53.7846 53.8820 54.3801 54.5025 54.6905 55.1358 55.3322 55.4384 55.7068 56.1598 56.2818 56.4252 56.5129 56.8253 56.9137 57.2575 57.3136 57.4667 57.7455 57.9560 58.1497 58.1744 58.4102 58.6590 59.4127 59.5705 59.6982 59.8169 60.0495 60.1461 60.3320 60.6223 60.8773 61.1798 61.5551 62.0019 62.1268 62.3503 62.6300 63.2161 63.3742 63.4590 63.5889 63.7162 63.8437 64.1265 64.5315 64.6585 64.8738 65.1653 65.2445 65.6221 65.7578 65.9661 66.0697 66.5866 66.7481 66.8770 67.0985 67.3652 67.6802 67.8206 67.8875 68.0474 68.1921 68.5257 69.2586 69.6516 69.7066 69.8473 70.1427 70.4472 70.8168 71.0981 71.1918 71.6122 71.6898 72.0301 72.0855 72.3845 72.6539 72.9023 73.1180 73.1996 73.4021 73.5068 73.9184 74.0397 74.2542 74.5542 74.7071 74.7655 75.1471 75.3076 75.4789 75.5757 75.8677 76.0600 76.2362 76.3012 76.5234 76.5873 76.8343 76.9503 77.1209 77.2309 77.3952 77.5746 77.7100 77.9354 78.0508 78.1118 78.3527 78.4785 78.6018 78.8383 78.9145 78.9576 79.0791 79.1372 79.4394 79.4603 79.5511 79.6499 79.7221 79.8804 80.0315 80.1730 80.4499 80.6122 80.8100 80.8327 81.0157 81.0797 81.2620 81.4626 81.5324 81.6175 81.9294 82.0030 82.1623 82.2952 82.4620 82.5718 82.6117 82.6524 82.7434 82.9317 83.1628 83.2019 83.2640 83.3880 83.3972 83.4894 83.7745 83.7986 84.0975 84.2743 84.3371 84.4864 84.5494 84.7019 84.7266 84.8832 84.9578 85.1525 85.1930 85.3281 85.3758 85.4924 85.5888 85.7222 85.8660 85.9147 86.0627 86.1373 86.2724 86.3823 86.4302 86.5382 86.6079 86.7965 86.8571 86.9969 87.1194 87.3174 87.4571 87.5277 87.7608 87.8280 88.0272 88.1047 88.1936 88.5616 88.6210 88.7000 88.8761 88.9821 89.0466 89.1511 89.2587 89.3415 89.4316 89.5862 89.9008 89.9809 90.1608 90.2203 90.3744 90.4138 90.5189 90.5802 90.8625 91.0714 91.1158 91.3498 91.4604 91.7309 91.8768 91.8914 92.1071 92.1850 92.4049 92.5828 92.5989 92.7289 92.8626 92.9675 93.0350 93.1719 93.1951 93.3917 93.4228 93.4928 93.5883 93.7450 93.8998 93.9956 94.0330 94.1187 94.2782 94.4645 94.6367 94.7426 94.8519 94.9451 95.1989 95.2820 95.3600 95.4426 95.6282 95.6378 95.7855 96.0101 96.2606 96.3608 96.4344 96.4983 96.6465 96.7627 96.9499 97.0345 97.1910 97.3228 97.4207 97.5236 97.6175 97.7079 97.7683 98.0504 98.1862 98.3585 98.4950 98.6027 98.7671 98.8402 99.0510 99.1317 99.2029 99.2619 99.3201 99.4798 99.5813 99.7045 100.0084 100.0542 100.2333 100.4300 100.7573 100.9030 101.0099 101.1214 101.2947 101.5470 101.7448 101.8037 101.9112 102.1670 102.3712 102.4016 102.4451 102.7004 102.9041 103.0005 103.2131 103.6090 103.7428 103.9227 104.1132 104.2957 104.4409 104.6238 104.7090 104.8351 104.9939 105.0757 105.3547 105.4546 105.6616 105.7750 105.8579 105.9084 106.0483 106.1426 106.1963 106.2843 106.5077 106.5619 106.8014 106.9307 107.1595 107.2182 107.2685 107.4442 107.7592 107.8786 107.9825 108.2012 108.3233 108.3672 108.6082 108.7651 108.8601 109.0708 109.1672 109.3180 109.3507 109.6018 109.7171 109.7915 109.9763 110.1054 110.2544 110.3069 110.4343 110.7779 110.8771 110.8981 110.9955 111.2986 111.4298 111.5992 111.8101 111.9837 112.0145 112.1973 112.4427 112.5338 112.7582 112.8337 112.9897 113.1776 113.3292 113.4147 113.7330 113.8951 113.9263 114.1880 114.4197 114.5518 114.7914 114.8634 114.9874 115.0601 115.1860 115.2752 115.5093 115.7059 115.7653 115.9013 116.0422 116.1636 116.2817 116.4221 116.5872 116.7050 116.9377 117.0232 117.1798 117.3843 117.5080 117.6760 117.7141 117.8403 117.9059 117.9684 118.0589 118.2692 118.3055 118.4137 118.4674 118.5940 118.6453 118.8530 118.8916 119.1173 119.3253 119.3672 119.5389 119.6718 119.7730 119.9484 120.1356 120.3387 120.4312 120.5386 120.6652 120.7741 121.0329 121.1184 121.2772 121.3604 121.5381 121.7477 122.0542 122.1918 122.5148 122.8248 122.9310 122.9816 123.2457 123.4315 123.5935 123.9323 124.0227 124.2018 124.6163 125.0218 125.3528 125.3670 125.6757 125.8365 125.9689 126.2936 126.5932 126.8944 127.0291 127.1729 127.9851 128.0961 128.3075 128.5396 128.7354 128.9912 129.1535 129.3173 129.3806 129.4640 129.6305 129.7817 129.9041 130.1494 130.2865 130.4897 130.7365 130.8554 130.9598 131.2282 131.2830 131.4053 131.4740 131.5068 131.8835 131.9443 132.1513 132.2577 132.4174 132.8329 132.9948 133.1212 133.4765 133.6757 134.0570 134.1394 134.2083 134.5890 134.7890 134.9734 135.2556 135.2805 135.4847 135.6756 135.9936 136.3696 136.6743 137.3960 137.5605 137.7205 137.9835 138.2037 138.2921 138.8168 138.9668 139.2036 139.4421 139.6816 139.8818 140.0854 140.1507 140.5878 140.9063 141.0273 141.3877 141.5023 141.6528 141.9234 142.2726 143.0741 143.3925 143.8039 143.9103 144.4262 144.5292 144.7592 144.8333 145.1704 145.2582 145.3419 145.4739 145.7316 145.8719 145.9382 146.0864 146.2721 146.5100 146.6468 146.8059 146.9064 147.5512 147.6726 147.9569 148.0920 148.2395 148.2645 148.6401 148.8369 148.9715 149.0910 149.3152 149.4426 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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 O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.268317 -0.475029 -0.330044 0.128685 0.088345 -0.121298 -0.269907 -0.269718 -0.296383 0.405287 -0.044520 -0.220307 -0.241759 0.084963 0.010622 -0.229902 -0.213746 0.281707 -0.114092 -0.249501 0.298317 -0.254084 -0.203189 -0.100403 -0.143835 -0.217456 0.089645 0.084796 0.087759 0.095908 0.097656 0.105613 0.095210 0.056105 0.115593 0.093430 0.092434 0.088240 0.069784 0.097723 0.097502 0.121445 0.098338 0.145015 0.143623 0.156986 0.146297 0.144757 0.164019 0.157438 0.159186 0.161063 0 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 O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H 8.2683 8.4750 8.3300 5.8713 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