Orca 5.0.2 RELEASE 1 2 3 4 5 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 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 52 53 54 55 F F O O O O N 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 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 2 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 428.27930639999965 AuxInfo=1/0/N:11,12,33,31,32,25,22,29,30,26,14,15,17,18,21,24,9,10,20,28,19,23,16,8,13,27,1,2,7,4,6,5,3/E:(1,2)(4,5)(8,9)(11,12)(13,14)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,29.1,30.1/rA:56nFFOO1OON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8;s9;s9;s3s4s8;s10;s10;s3;s14;s15;s5s17s18;s16;s20;s20;s6s21;s7s16;s22;s23s25;s1s2s5;s6;s28;s28;s29;s30;s31s32;s8;s9;s11;s11;s11;s12;s12;s12;s14;s15;s16;s17;s18;s21;s22;s25;s26;s27;s29;s30;s31;s32;s33;/rC:-4.401,-2.1373,1.6726;-3.8383,-2.036,-.4116;3.2651,.386,.6929;3.6095,.1736,-1.5019;-2.3859,-2.6956,1.1473;-1.4873,1.9917,.6762;3.8578,2.6851,2.9807;3.0579,-1.7823,-.1619;3.5499,-2.7276,-1.2799;1.5955,-1.9523,.1899;3.6554,-4.1489,-.7381;2.706,-2.7182,-2.5494;3.3468,-.3273,-.443;.5838,-1.3639,-.5624;1.227,-2.7534,1.2679;3.3445,1.799,.5766;-.7561,-1.5802,-.2716;-.1038,-2.975,1.5779;-1.0944,-2.3923,.8009;2.0511,2.3956,.0719;.8436,1.926,.5723;2.0746,3.3998,-.8839;-.3441,2.4689,.1083;3.6357,2.2782,1.9297;.8775,3.9476,-1.3237;-.336,3.4917,-.834;-3.3871,-1.8269,.8504;-2.6327,1.8185,-.0493;-3.8266,1.9763,.6423;-2.6331,1.4225,-1.3816;-5.0286,1.7258,-.0025;-3.8452,1.1881,-2.0161;-5.0451,1.3345,-1.3342;3.6349,-2.0264,.7367;4.5613,-2.399,-1.5395;2.6765,-4.5543,-.4729;4.2894,-4.1998,.1492;4.0872,-4.8128,-1.4887;3.1884,-3.3297,-3.3141;1.7153,-3.143,-2.3786;2.5752,-1.7215,-2.969;.821,-.729,-1.4074;1.9919,-3.212,1.8824;4.1782,2.1022,-.0655;-1.5055,-1.1261,-.9054;-.3743,-3.5987,2.4205;.8118,1.1449,1.3226;3.0172,3.7555,-1.28;.8874,4.7406,-2.0598;-1.2601,3.9345,-1.183;-3.1191,-.7741,.9632;-3.8099,2.2793,1.6818;-1.7068,1.2869,-1.9256;-5.9568,1.8443,.5418;-3.8452,.8804,-3.0538;-5.9846,1.1449,-1.8364; 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 1870 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 236 Dim 1345 ENuc 3452.0366387208 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 5.183e-06 Time for diagonalization 1.085 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.966 sec Total time needed 2.074 sec 9 9 8 8 8 8 7 6 6 6 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 1 428.27930639999965 AuxInfo=1/0/N:11,12,33,31,32,25,22,29,30,26,14,15,17,18,21,24,9,10,20,28,19,23,16,8,13,27,1,2,7,4,6,5,3/E:(1,2)(4,5)(8,9)(11,12)(13,14)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,29.1,30.1/rA:56nFFOO1OON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8;s9;s9;s3s4s8;s10;s10;s3;s14;s15;s5s17s18;s16;s20;s20;s6s21;s7s16;s22;s23s25;s1s2s5;s6;s28;s28;s29;s30;s31s32;s8;s9;s11;s11;s11;s12;s12;s12;s14;s15;s16;s17;s18;s21;s22;s25;s26;s27;s29;s30;s31;s32;s33;/rC:-4.401,-2.1373,1.6726;-3.8383,-2.036,-.4116;3.2651,.386,.6929;3.6095,.1736,-1.5019;-2.3859,-2.6956,1.1473;-1.4873,1.9917,.6762;3.8578,2.6851,2.9807;3.0579,-1.7823,-.1619;3.5499,-2.7276,-1.2799;1.5955,-1.9523,.1899;3.6554,-4.1489,-.7381;2.706,-2.7182,-2.5494;3.3468,-.3273,-.443;.5838,-1.3639,-.5624;1.227,-2.7534,1.2679;3.3445,1.799,.5766;-.7561,-1.5802,-.2716;-.1038,-2.975,1.5779;-1.0944,-2.3923,.8009;2.0511,2.3956,.0719;.8436,1.926,.5723;2.0746,3.3998,-.8839;-.3441,2.4689,.1083;3.6357,2.2782,1.9297;.8775,3.9476,-1.3237;-.336,3.4917,-.834;-3.3871,-1.8269,.8504;-2.6327,1.8185,-.0493;-3.8266,1.9763,.6423;-2.6331,1.4225,-1.3816;-5.0286,1.7258,-.0025;-3.8452,1.1881,-2.0161;-5.0451,1.3345,-1.3342;3.6349,-2.0264,.7367;4.5613,-2.399,-1.5395;2.6765,-4.5543,-.4729;4.2894,-4.1998,.1492;4.0872,-4.8128,-1.4887;3.1884,-3.3297,-3.3141;1.7153,-3.143,-2.3786;2.5752,-1.7215,-2.969;.821,-.729,-1.4074;1.9919,-3.212,1.8824;4.1782,2.1022,-.0655;-1.5055,-1.1261,-.9054;-.3743,-3.5987,2.4205;.8118,1.1449,1.3226;3.0172,3.7555,-1.28;.8874,4.7406,-2.0598;-1.2601,3.9345,-1.183;-3.119,-.7741,.9632;-3.8099,2.2793,1.6818;-1.7068,1.2869,-1.9256;-5.9568,1.8443,.5418;-3.8452,.8804,-3.0538;-5.9846,1.1449,-1.8364; 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" 428.27930639999965 AuxInfo=1/0/N:11,12,33,31,32,25,22,29,30,26,14,15,17,18,21,24,9,10,20,28,19,23,16,8,13,27,1,2,7,4,6,5,3/E:(1,2)(4,5)(8,9)(11,12)(13,14)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,29.1,30.1/rA:56nFFOO1OON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8;s9;s9;s3s4s8;s10;s10;s3;s14;s15;s5s17s18;s16;s20;s20;s6s21;s7s16;s22;s23s25;s1s2s5;s6;s28;s28;s29;s30;s31s32;s8;s9;s11;s11;s11;s12;s12;s12;s14;s15;s16;s17;s18;s21;s22;s25;s26;s27;s29;s30;s31;s32;s33;/rC:-4.401,-2.1373,1.6726;-3.8383,-2.036,-.4116;3.2651,.386,.6929;3.6095,.1736,-1.5019;-2.3859,-2.6956,1.1473;-1.4873,1.9917,.6762;3.8578,2.6851,2.9807;3.0579,-1.7823,-.1619;3.5499,-2.7276,-1.2799;1.5955,-1.9523,.1899;3.6554,-4.1489,-.7381;2.706,-2.7182,-2.5494;3.3468,-.3273,-.443;.5838,-1.3639,-.5624;1.227,-2.7534,1.2679;3.3445,1.799,.5766;-.7561,-1.5802,-.2716;-.1038,-2.975,1.5779;-1.0944,-2.3923,.8009;2.0511,2.3956,.0719;.8436,1.926,.5723;2.0746,3.3998,-.8839;-.3441,2.4689,.1083;3.6357,2.2782,1.9297;.8775,3.9476,-1.3237;-.336,3.4917,-.834;-3.3871,-1.8269,.8504;-2.6327,1.8185,-.0493;-3.8266,1.9763,.6423;-2.6331,1.4225,-1.3816;-5.0286,1.7258,-.0025;-3.8452,1.1881,-2.0161;-5.0451,1.3345,-1.3342;3.6349,-2.0264,.7367;4.5613,-2.399,-1.5395;2.6765,-4.5543,-.4729;4.2894,-4.1998,.1492;4.0872,-4.8128,-1.4887;3.1884,-3.3297,-3.3141;1.7153,-3.143,-2.3786;2.5752,-1.7215,-2.969;.821,-.729,-1.4074;1.9919,-3.212,1.8824;4.1782,2.1022,-.0655;-1.5055,-1.1261,-.9054;-.3743,-3.5987,2.4205;.8118,1.1449,1.3226;3.0172,3.7555,-1.28;.8874,4.7406,-2.0598;-1.2601,3.9345,-1.183;-3.1191,-.7741,.9632;-3.8099,2.2793,1.6818;-1.7068,1.2869,-1.9256;-5.9568,1.8443,.5418;-3.8452,.8804,-3.0538;-5.9846,1.1449,-1.8364; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM F O N C H 1.7300 1.6280 1.8900 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 3315 GEPOL Volume 3019.3848 GEPOL Surface-area 1695.9497 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.1s) Overall time for CPCM initialization 1.2s -1560.11793075 3452.03663872 -5012.15456947 -8994.65427454 3982.49970508 -0.03628192 -3113.75845356 1553.64052281 2.00416918 117.999911961634 117.999911961634 235.999823923268 -146.819890908000 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 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716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 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 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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11.3628 11.4616 11.5762 11.6551 11.6730 11.7923 11.9536 12.0611 12.0867 12.2152 12.2792 12.4164 12.4502 12.5594 12.6407 12.7893 12.8977 13.0349 13.0623 13.1112 13.1660 13.2124 13.4167 13.4349 13.5363 13.6370 13.6661 13.7170 13.8811 13.9475 14.0450 14.0968 14.1331 14.2297 14.2555 14.3477 14.5094 14.5829 14.6036 14.6356 14.7260 14.8181 14.9023 14.9617 15.0553 15.1014 15.2360 15.3055 15.3503 15.4021 15.5451 15.6269 15.6818 15.8218 15.9411 15.9609 16.0108 16.1547 16.2499 16.3217 16.3939 16.5107 16.6614 16.7231 16.7907 16.8239 17.1061 17.1292 17.1666 17.2831 17.4250 17.4910 17.6506 17.6910 17.9268 18.0049 18.1422 18.2477 18.3267 18.6329 18.7831 18.8258 18.8909 18.9905 19.1513 19.2544 19.3464 19.4454 19.5931 19.7223 19.8784 20.0197 20.0623 20.1206 20.1662 20.4080 20.4517 20.6190 20.6988 20.7584 20.8659 20.9525 21.0961 21.2207 21.2851 21.3914 21.5881 21.6459 21.6876 21.8270 21.9357 22.0056 22.0872 22.1671 22.2893 22.3854 22.5618 22.7487 22.8434 22.9702 23.0015 23.0761 23.2997 23.3558 23.4889 23.5748 23.6652 23.9150 23.9745 24.0342 24.2189 24.3493 24.4165 24.6000 24.7165 24.7266 24.8788 25.0055 25.0416 25.1202 25.2463 25.4041 25.5467 25.6992 25.7687 25.8529 25.9652 26.0909 26.1912 26.3432 26.5021 26.6024 26.7099 26.7329 26.8927 26.9553 27.2616 27.3409 27.4831 27.5189 27.7607 27.7702 27.9801 28.1089 28.2659 28.4177 28.4485 28.6715 28.7125 28.8285 28.8710 29.1758 29.3463 29.4550 29.5122 29.5483 29.7851 29.8403 29.9894 30.0133 30.1859 30.3097 30.4431 30.5981 30.6594 30.6763 30.9622 31.0430 31.0699 31.1699 31.3068 31.4716 31.5626 31.7370 31.8178 32.0856 32.1636 32.2668 32.3515 32.4980 32.5496 32.7124 32.8939 32.9931 33.1036 33.2251 33.2821 33.3459 33.4788 33.4923 33.5764 33.7351 33.7575 34.0432 34.1653 34.2587 34.3240 34.4532 34.5376 34.6836 34.8151 34.8591 35.0249 35.1078 35.2538 35.4388 35.5850 35.7284 35.7857 35.9895 36.1182 36.1511 36.1892 36.3315 36.5181 36.6108 36.6993 36.8771 36.9717 37.0772 37.1914 37.2921 37.4742 37.6148 37.6264 37.8145 37.9220 38.0047 38.1670 38.1999 38.3641 38.4550 38.5364 38.6409 38.7459 38.8573 39.0100 39.0678 39.1399 39.2446 39.4782 39.5752 39.6776 39.7767 39.9471 40.0620 40.2074 40.3273 40.3944 40.6743 40.8027 40.8384 40.9053 40.9856 41.1319 41.2021 41.3287 41.3456 41.3714 41.5643 41.5943 41.6832 41.9134 41.9488 42.2154 42.3016 42.3570 42.6161 42.7415 42.8904 42.9928 43.1238 43.3146 43.3589 43.5528 43.7975 43.9176 43.9233 44.1224 44.1666 44.3077 44.3488 44.4967 44.5980 44.6656 44.8717 45.0215 45.0778 45.2003 45.3522 45.4538 45.6194 45.7055 45.9715 46.1226 46.1513 46.2912 46.3539 46.4598 46.7058 46.8158 46.8656 47.1080 47.2898 47.3425 47.4732 47.6586 47.6858 48.0121 48.0516 48.2948 48.3232 48.4014 48.5696 48.6207 48.7110 48.8338 49.0070 49.2131 49.3905 49.5863 49.7249 49.8733 49.9322 50.0963 50.1871 50.3377 50.5485 50.6634 50.8890 51.0223 51.2531 51.5366 51.7428 52.0168 52.1467 52.2008 52.4609 52.4779 52.5320 52.7480 52.9196 53.1985 53.2954 53.5978 53.7372 53.8757 54.0750 54.2226 54.6469 54.8985 55.0635 55.1846 55.3164 55.4831 55.5439 55.8238 55.9384 56.0975 56.4755 56.5705 56.6247 56.7523 56.9468 57.0179 57.3536 57.4541 57.6550 57.7605 57.8662 57.9673 58.2193 58.3727 58.5036 58.6412 58.9786 59.1539 59.2306 59.3557 59.4376 59.7573 60.0283 60.1957 60.7289 60.8189 61.0330 61.1331 61.1818 61.5859 61.7060 61.8322 62.3854 62.5487 62.6959 62.8940 63.2151 63.5411 63.6243 63.8330 63.9789 64.1345 64.2631 64.3915 64.5009 64.5774 64.6674 65.1187 65.2352 65.2862 65.4960 65.5528 65.7470 65.9234 66.1511 66.3002 66.4792 66.6908 66.7913 66.9795 67.1694 67.2807 67.4154 67.4682 67.5923 67.8617 68.0386 68.1654 68.3521 68.4551 68.5769 68.7166 69.0181 69.2540 69.3662 69.5077 69.5397 70.1011 70.3298 70.5589 70.8264 71.1564 71.4179 71.5531 71.7500 72.0318 72.5113 72.7523 72.8847 73.0230 73.1713 73.3324 73.4591 73.7759 74.0367 74.2034 74.3064 74.3988 74.6183 74.7295 74.9711 75.1811 75.4408 75.5378 75.6606 75.9344 76.0525 76.1678 76.3047 76.4658 76.5884 76.7036 76.9138 76.9792 77.0160 77.2074 77.2749 77.4909 77.6719 77.7972 77.8505 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