Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl F F O O O N N 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 H H H H H H H H H H H H H H H H H H H H 1 2 2 3 3 3 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 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-5.3538,-2.374,-5.7191;6.4652,2.4192,1.5533;5.5452,-2.1261,.9897;-4.3685,1.3065,-.4719;2.241,2.1051,3.2284;3.9519,.1309,.0166;-4.4519,.3278,.4845;1.7765,1.2899,1.1432;3.8902,1.0823,2.0871;-4.6682,-1.96,1.0015;-3.3644,-2.358,1.6567;-4.4451,-1.7212,2.4615;-4.6596,-.8414,.0277;-4.837,-1.1907,-1.4003;-5.7694,-.5399,-2.2063;-4.0784,-2.2223,-1.9497;-5.9384,-.9053,-3.5318;-4.2253,-2.586,-3.2788;-5.1572,-1.9217,-4.0594;-3.7147,2.4343,.0807;-2.2706,2.1544,.3893;-1.6891,2.5818,1.5733;-1.476,1.4485,-.5115;.4287,1.6197,.9662;-.3546,2.332,1.871;-.1515,1.1839,-.2291;2.5648,1.5391,2.2039;5.951,.1579,1.2696;4.5047,.4529,1.0503;6.8921,1.1552,1.4828;6.4274,-1.1435,1.1789;8.2408,.8945,1.6019;7.7643,-1.4552,1.3035;8.666,-.4219,1.5121;-5.3279,-2.7769,.7328;-2.4923,-1.7617,1.418;-3.1705,-3.4149,1.7864;-5.0042,-2.343,3.1486;-4.3026,-.7008,2.7902;-6.3923,.2455,-1.8004;-3.3524,-2.7468,-1.3416;-6.673,-.3992,-4.1437;-3.6203,-3.38,-3.6954;-3.8087,3.2101,-.6827;-4.2381,2.7854,.9758;-2.2863,3.1231,2.2979;-1.8919,1.0914,-1.446;.0472,2.6869,2.8059;.4457,.6291,-.9438;2.2097,.7881,.3736;4.4373,1.2571,2.9206;8.9409,1.7042,1.757;8.0921,-2.4839,1.2387;9.7193,-.6476,1.6065; 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 1888 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 250 Dim 1345 ENuc 3337.5333621355 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 6.121e-06 Time for diagonalization 0.441 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 13.205 sec Total time needed 13.657 sec 17 9 9 8 8 8 7 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-5.3538,-2.374,-5.7191;6.4652,2.4192,1.5533;5.5452,-2.1261,.9897;-4.3685,1.3065,-.4719;2.241,2.1051,3.2284;3.9519,.1309,.0166;-4.4519,.3278,.4845;1.7765,1.2899,1.1432;3.8902,1.0823,2.0871;-4.6682,-1.96,1.0015;-3.3644,-2.358,1.6567;-4.4451,-1.7212,2.4615;-4.6596,-.8414,.0277;-4.837,-1.1907,-1.4003;-5.7694,-.5399,-2.2063;-4.0784,-2.2223,-1.9497;-5.9384,-.9053,-3.5318;-4.2253,-2.586,-3.2788;-5.1572,-1.9217,-4.0594;-3.7147,2.4343,.0807;-2.2706,2.1544,.3893;-1.6891,2.5818,1.5733;-1.476,1.4485,-.5115;.4287,1.6197,.9662;-.3546,2.332,1.871;-.1515,1.1839,-.2291;2.5648,1.5391,2.2039;5.951,.1579,1.2696;4.5047,.4529,1.0503;6.8921,1.1552,1.4828;6.4274,-1.1435,1.1789;8.2408,.8945,1.6019;7.7643,-1.4553,1.3035;8.666,-.4219,1.5121;-5.3279,-2.7769,.7328;-2.4923,-1.7617,1.418;-3.1705,-3.4149,1.7864;-5.0042,-2.343,3.1486;-4.3026,-.7008,2.7902;-6.3923,.2455,-1.8004;-3.3524,-2.7468,-1.3416;-6.673,-.3992,-4.1437;-3.6203,-3.38,-3.6954;-3.8087,3.2101,-.6827;-4.2381,2.7854,.9758;-2.2863,3.1231,2.2979;-1.8919,1.0914,-1.446;.0472,2.6869,2.8059;.4457,.6291,-.9438;2.2097,.7881,.3736;4.4373,1.2571,2.9206;8.9409,1.7042,1.757;8.0921,-2.4839,1.2387;9.7193,-.6476,1.6065; 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" 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-5.3538,-2.374,-5.7191;6.4652,2.4192,1.5533;5.5452,-2.1261,.9897;-4.3685,1.3065,-.4719;2.241,2.1051,3.2284;3.9519,.1309,.0166;-4.4519,.3278,.4845;1.7765,1.2899,1.1432;3.8902,1.0823,2.0871;-4.6682,-1.96,1.0015;-3.3644,-2.358,1.6567;-4.4451,-1.7212,2.4615;-4.6596,-.8414,.0277;-4.837,-1.1907,-1.4003;-5.7694,-.5399,-2.2063;-4.0784,-2.2223,-1.9497;-5.9384,-.9053,-3.5318;-4.2253,-2.586,-3.2788;-5.1572,-1.9217,-4.0594;-3.7147,2.4343,.0807;-2.2706,2.1544,.3893;-1.6891,2.5818,1.5733;-1.476,1.4485,-.5115;.4287,1.6197,.9662;-.3546,2.332,1.871;-.1515,1.1839,-.2291;2.5648,1.5391,2.2039;5.951,.1579,1.2696;4.5047,.4529,1.0503;6.8921,1.1552,1.4828;6.4274,-1.1435,1.1789;8.2408,.8945,1.6019;7.7643,-1.4552,1.3035;8.666,-.4219,1.5121;-5.3279,-2.7769,.7328;-2.4923,-1.7617,1.418;-3.1705,-3.4149,1.7864;-5.0042,-2.343,3.1486;-4.3026,-.7008,2.7902;-6.3923,.2455,-1.8004;-3.3524,-2.7468,-1.3416;-6.673,-.3992,-4.1437;-3.6203,-3.38,-3.6954;-3.8087,3.2101,-.6827;-4.2381,2.7854,.9758;-2.2863,3.1231,2.2979;-1.8919,1.0914,-1.446;.0472,2.6869,2.8059;.4457,.6291,-.9438;2.2097,.7881,.3736;4.4373,1.2571,2.9206;8.9409,1.7042,1.757;8.0921,-2.4839,1.2387;9.7193,-.6476,1.6065; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 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 3104 GEPOL Volume 3228.9347 GEPOL Surface-area 1782.1564 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.5s -2014.66520163 3337.53336214 -5352.19856377 -9394.94549146 4042.74692769 -0.03963153 -4022.31709609 2007.65189446 2.00349329 124.999984296464 124.999984296464 249.999968592929 -167.131143999765 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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466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 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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10.3363 10.4878 10.5783 10.6729 10.7403 10.8848 11.1051 11.1407 11.2388 11.2755 11.3717 11.4230 11.4968 11.5923 11.6543 11.7579 11.7931 11.8638 11.9524 12.0228 12.0634 12.0747 12.2060 12.2412 12.2762 12.3511 12.4509 12.5296 12.6664 12.7421 12.8705 12.8958 13.0156 13.0766 13.2603 13.2718 13.3564 13.3669 13.4543 13.5292 13.5710 13.6699 13.7060 13.8137 13.9065 13.9218 13.9699 14.0833 14.1718 14.2194 14.3067 14.4544 14.5407 14.5692 14.6498 14.7382 14.8012 14.8363 15.0419 15.2159 15.2842 15.3633 15.4553 15.4810 15.5855 15.6623 15.7357 15.8557 15.8935 15.9721 16.1389 16.2179 16.3295 16.4178 16.4724 16.5014 16.6902 16.8095 16.9343 17.0064 17.1335 17.1845 17.2954 17.4504 17.6416 17.6528 17.7349 17.7907 17.9328 17.9748 17.9988 18.0893 18.1943 18.2607 18.3924 18.5102 18.5851 18.7924 19.0140 19.1990 19.2869 19.3819 19.5227 19.6964 19.8478 19.9674 19.9977 20.0889 20.1723 20.2633 20.3085 20.5238 20.6480 20.7129 20.8638 20.9059 20.9972 21.2292 21.2667 21.2771 21.3504 21.3985 21.5334 21.5744 21.7278 21.8025 21.8619 21.9732 22.0230 22.1548 22.3357 22.4906 22.6997 22.8032 22.8905 22.9724 23.0406 23.2102 23.2594 23.4167 23.5622 23.6160 23.7104 23.8285 23.9168 24.1763 24.3410 24.5257 24.5787 24.7314 24.8567 24.8903 24.9922 25.0167 25.1540 25.2860 25.3851 25.4819 25.6683 25.6877 25.8330 25.9116 25.9825 26.2074 26.4114 26.4442 26.5808 26.7034 26.8103 26.8996 27.0457 27.1550 27.3513 27.4186 27.5317 27.6047 27.8280 27.9592 28.0179 28.0569 28.1717 28.3039 28.4169 28.5310 28.5770 28.7933 28.8572 28.9742 29.0673 29.1544 29.2041 29.2936 29.3050 29.5232 29.5907 29.6375 29.7920 29.8207 29.9727 30.1990 30.2863 30.5129 30.6529 30.6838 31.0120 31.0590 31.1341 31.1767 31.2082 31.3195 31.5298 31.6649 31.7223 31.9565 32.1345 32.2212 32.3486 32.4142 32.5022 32.6343 32.7694 33.0160 33.1168 33.2928 33.4790 33.5178 33.7634 33.9877 34.1665 34.2580 34.4439 34.4915 34.5251 34.6904 34.6953 34.9502 35.1184 35.1603 35.3035 35.3745 35.5272 35.5781 35.7313 35.8130 36.0248 36.1356 36.2363 36.4177 36.4327 36.6802 36.7652 36.8580 36.9768 37.1405 37.2224 37.3123 37.3524 37.5094 37.5451 37.8769 37.9392 38.0238 38.1690 38.2877 38.3357 38.4352 38.5802 38.6807 38.9588 39.0242 39.0805 39.1526 39.2855 39.4463 39.5378 39.5768 39.6846 39.8483 39.9003 40.1456 40.1546 40.2717 40.3457 40.4327 40.5818 40.6752 40.8115 40.9910 41.0333 41.1204 41.3103 41.4386 41.5262 41.6762 41.7622 41.8654 41.9476 42.1267 42.2830 42.4817 42.6062 42.6877 42.8831 42.9824 43.0997 43.1744 43.4059 43.4369 43.6117 43.6570 43.7502 43.9455 44.1110 44.1477 44.2039 44.4663 44.5534 44.6086 44.7904 44.8674 44.9440 45.0541 45.2230 45.3858 45.4550 45.5057 45.6164 45.8046 45.8813 46.1659 46.2008 46.4186 46.5585 46.7664 46.7991 46.8935 46.9348 47.2591 47.3981 47.6091 47.6281 47.7424 47.9674 48.0401 48.2468 48.4639 48.5681 48.6915 48.7935 48.8623 48.9323 49.1852 49.2094 49.4156 49.4551 49.5173 49.8346 50.0208 50.2189 50.5439 50.7713 50.8467 51.0661 51.1230 51.1819 51.4516 51.5423 51.6778 51.9150 52.0548 52.2117 52.3585 52.5433 52.6588 52.7856 53.0815 53.1234 53.4748 53.6277 53.8368 53.8754 53.9690 54.3597 54.5297 54.6200 54.9987 55.4036 55.5061 55.6609 55.8074 56.1256 56.2227 56.3389 56.6198 56.7116 57.0403 57.2076 57.2465 57.3603 57.5342 57.6513 57.7625 57.8529 58.0420 58.0868 58.1709 58.3628 58.4927 58.7067 58.7824 59.0302 59.3431 59.4981 59.5528 59.7456 59.8983 59.9436 60.0292 60.2010 60.5942 60.8133 61.1006 61.4189 61.4985 61.5344 61.5784 61.9859 62.0347 62.4568 62.6641 62.8609 62.9479 63.0833 63.3014 63.5629 63.7244 63.8059 64.1043 64.2244 64.2480 64.3237 64.6186 64.6965 64.7782 64.7895 65.0249 65.3290 65.4898 65.7098 65.8538 65.8764 66.0256 66.2592 66.3389 66.6339 66.8418 66.8908 67.0686 67.1683 67.2408 67.3352 67.5623 67.6484 68.0434 68.2110 68.3120 68.3778 68.7065 68.9436 69.2348 69.4562 69.9053 69.9831 70.5774 70.6130 70.7635 71.0628 71.3352 71.4621 71.6176 71.7565 71.9156 72.1777 72.4819 72.7942 72.9370 73.3840 73.8370 73.9686 74.1799 74.3147 74.6554 74.7779 74.8647 74.9755 75.3312 75.5366 75.6493 75.9144 75.9858 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