Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 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 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 1 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 366.2610999999997 AuxInfo=1/0/N:11,12,14,15,29,27,28,22,20,25,26,23,19,18,17,24,21,16,6,8,9,13,7,10,5,3,4,2,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.2,15.3,16.3,17.3,22.3,25.1,26.1/rA:54nOOO1ON1CCCCCCCC3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s1s6;s1s9;s7;s7;s2s3s8;s10;s10;s2;s16;s5s16;s17;s17;s4s19;s20;s21s22;s4;s24;s24;s25;s26;s27s28;s6;s8;s9;s11;s11;s11;s12;s12;s12;s14;s14;s14;s15;s15;s15;s16;s19;s20;s22;s23;s25;s26;s27;s28;s29;/rC:-3.8231,1.0008,-2.7601;-1.6546,-.7667,.3899;-3.0607,-1.5739,1.9193;3.77,-.5273,1.3462;-1.8372,-3.966,-.6224;-3.6652,1.2916,-.3223;-2.9212,1.9416,.7929;-3.5146,.5544,1.0018;-3.0293,.8153,-1.5921;-3.5393,-.3348,-2.3448;-1.4313,2.1785,.7254;-3.6427,3.0347,1.5479;-2.7483,-.6877,1.1624;-2.6199,-1.0886,-3.2665;-4.7069,-1.1357,-1.8336;-.7978,-1.8865,.5758;.5493,-1.5132,.0159;-1.3817,-3.0542,-.0928;1.5641,-1.1965,.9076;.7553,-1.3933,-1.353;2.7923,-.7681,.4263;1.9873,-.9616,-1.8198;3.0117,-.6462,-.9397;4.5716,.575,1.2083;4.06,1.8157,.8467;5.9187,.4197,1.5016;4.9172,2.9043,.7735;6.7617,1.5199,1.4333;6.268,2.7636,1.0639;-4.6779,1.6512,-.4757;-4.4088,.5281,1.6134;-1.9806,1.0733,-1.7311;-.9856,2.1074,1.7193;-.8884,1.5013,.0727;-1.2494,3.1906,.3585;-3.268,3.1151,2.5703;-4.7174,2.8553,1.6006;-3.4908,3.9999,1.061;-1.7571,-.4904,-3.5622;-3.1502,-1.3873,-4.1737;-2.2567,-1.9993,-2.7895;-4.35,-1.9818,-1.2436;-5.2855,-1.5422,-2.6659;-5.3829,-.5519,-1.2102;-.7006,-2.1337,1.6367;1.4048,-1.2794,1.9762;-.0321,-1.6339,-2.056;2.1571,-.872,-2.8846;3.9713,-.3191,-1.32;3.0058,1.9407,.6309;6.3005,-.5534,1.7848;4.5198,3.8715,.4931;7.8125,1.398,1.6631;6.9297,3.6179,1.0064; 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 1696 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 208 Dim 1249 ENuc 2723.2700700454 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 5.904e-06 Time for diagonalization 0.527 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.476 sec Total time needed 1.021 sec 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 366.2610999999997 AuxInfo=1/0/N:11,12,14,15,29,27,28,22,20,25,26,23,19,18,17,24,21,16,6,8,9,13,7,10,5,3,4,2,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.2,15.3,16.3,17.3,22.3,25.1,26.1/rA:54nOOO1ON1CCCCCCCC3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s1s6;s1s9;s7;s7;s2s3s8;s10;s10;s2;s16;s5s16;s17;s17;s4s19;s20;s21s22;s4;s24;s24;s25;s26;s27s28;s6;s8;s9;s11;s11;s11;s12;s12;s12;s14;s14;s14;s15;s15;s15;s16;s19;s20;s22;s23;s25;s26;s27;s28;s29;/rC:-3.8231,1.0008,-2.7601;-1.6546,-.7667,.3899;-3.0607,-1.5739,1.9193;3.77,-.5273,1.3462;-1.8372,-3.966,-.6224;-3.6652,1.2916,-.3223;-2.9212,1.9416,.7929;-3.5146,.5544,1.0018;-3.0293,.8153,-1.5921;-3.5393,-.3348,-2.3448;-1.4313,2.1785,.7254;-3.6427,3.0347,1.5479;-2.7483,-.6877,1.1624;-2.6199,-1.0886,-3.2665;-4.7069,-1.1357,-1.8336;-.7978,-1.8865,.5758;.5493,-1.5132,.0159;-1.3817,-3.0542,-.0928;1.5641,-1.1965,.9076;.7553,-1.3933,-1.353;2.7923,-.7681,.4263;1.9873,-.9616,-1.8198;3.0117,-.6462,-.9397;4.5716,.575,1.2083;4.06,1.8157,.8467;5.9187,.4197,1.5016;4.9172,2.9043,.7735;6.7617,1.5199,1.4333;6.268,2.7636,1.0639;-4.6779,1.6512,-.4757;-4.4088,.5281,1.6134;-1.9806,1.0733,-1.7311;-.9856,2.1074,1.7193;-.8884,1.5013,.0727;-1.2494,3.1906,.3585;-3.268,3.1151,2.5703;-4.7174,2.8553,1.6006;-3.4908,3.9999,1.061;-1.7571,-.4904,-3.5622;-3.1502,-1.3873,-4.1737;-2.2567,-1.9993,-2.7895;-4.35,-1.9818,-1.2436;-5.2855,-1.5422,-2.6659;-5.3829,-.5519,-1.2102;-.7006,-2.1337,1.6367;1.4048,-1.2794,1.9762;-.0321,-1.6339,-2.056;2.1571,-.872,-2.8846;3.9713,-.3191,-1.32;3.0058,1.9407,.6309;6.3005,-.5534,1.7848;4.5198,3.8715,.4931;7.8125,1.398,1.6631;6.9297,3.6179,1.0064; 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" 366.2610999999997 AuxInfo=1/0/N:11,12,14,15,29,27,28,22,20,25,26,23,19,18,17,24,21,16,6,8,9,13,7,10,5,3,4,2,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.2,15.3,16.3,17.3,22.3,25.1,26.1/rA:54nOOO1ON1CCCCCCCC3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s1s6;s1s9;s7;s7;s2s3s8;s10;s10;s2;s16;s5s16;s17;s17;s4s19;s20;s21s22;s4;s24;s24;s25;s26;s27s28;s6;s8;s9;s11;s11;s11;s12;s12;s12;s14;s14;s14;s15;s15;s15;s16;s19;s20;s22;s23;s25;s26;s27;s28;s29;/rC:-3.8231,1.0008,-2.7601;-1.6546,-.7667,.3899;-3.0607,-1.5739,1.9193;3.77,-.5273,1.3462;-1.8372,-3.966,-.6224;-3.6652,1.2916,-.3223;-2.9212,1.9416,.7929;-3.5146,.5544,1.0018;-3.0293,.8153,-1.5921;-3.5393,-.3348,-2.3448;-1.4313,2.1785,.7254;-3.6427,3.0347,1.5479;-2.7483,-.6877,1.1624;-2.6199,-1.0886,-3.2665;-4.7069,-1.1357,-1.8336;-.7978,-1.8865,.5758;.5493,-1.5132,.0159;-1.3817,-3.0542,-.0928;1.5641,-1.1965,.9076;.7553,-1.3933,-1.353;2.7923,-.7681,.4263;1.9873,-.9616,-1.8198;3.0117,-.6462,-.9397;4.5716,.575,1.2083;4.06,1.8157,.8467;5.9187,.4197,1.5016;4.9172,2.9043,.7735;6.7617,1.5199,1.4333;6.268,2.7636,1.0639;-4.6779,1.6512,-.4757;-4.4088,.5281,1.6134;-1.9806,1.0733,-1.7311;-.9856,2.1074,1.7193;-.8884,1.5013,.0727;-1.2494,3.1906,.3585;-3.268,3.1151,2.5703;-4.7174,2.8553,1.6006;-3.4908,3.9999,1.061;-1.7571,-.4904,-3.5622;-3.1502,-1.3873,-4.1737;-2.2567,-1.9993,-2.7895;-4.35,-1.9818,-1.2436;-5.2855,-1.5422,-2.6659;-5.3829,-.5519,-1.2102;-.7006,-2.1337,1.6367;1.4048,-1.2794,1.9762;-.0321,-1.6339,-2.056;2.1571,-.872,-2.8846;3.9713,-.3191,-1.32;3.0058,1.9407,.6309;6.3005,-.5534,1.7848;4.5198,3.8715,.4931;7.8125,1.398,1.6631;6.9297,3.6179,1.0064; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 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 3203 GEPOL Volume 2741.9069 GEPOL Surface-area 1566.3607 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -1285.32602925 2723.27007005 -4008.59609930 -7159.53098642 3150.93488713 -0.03711795 -2565.00600568 1279.67997643 2.00441208 103.999930729072 103.999930729072 207.999861458145 -124.704956818552 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 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 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 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 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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14.6717 14.7043 14.7919 14.9181 15.0133 15.0657 15.1418 15.2556 15.3807 15.4203 15.5486 15.5933 15.6711 15.7739 15.8653 15.9565 16.0727 16.1166 16.2477 16.3042 16.3141 16.3856 16.4551 16.5455 16.6750 16.7095 16.8768 16.9883 17.0539 17.1399 17.3373 17.3971 17.5713 17.6497 17.7179 17.8139 18.0237 18.0956 18.2711 18.4484 18.5779 18.6945 18.8859 18.9376 19.1261 19.1862 19.4305 19.5822 19.6441 19.7321 20.0099 20.0511 20.0893 20.3245 20.3331 20.4003 20.5220 20.7236 20.8110 20.8635 20.9680 21.0597 21.2656 21.4099 21.4474 21.5543 21.7637 21.9180 22.0484 22.1358 22.3373 22.4700 22.6777 22.8516 22.9612 23.0173 23.1506 23.3286 23.3968 23.5554 23.8339 23.8581 23.9896 24.1018 24.1992 24.2380 24.5004 24.5657 24.6061 24.8686 24.9508 24.9961 25.1873 25.3558 25.4587 25.5705 25.6533 25.9100 25.9749 26.2963 26.3244 26.4649 26.5887 26.7319 26.8348 26.9852 27.1751 27.1835 27.3204 27.4889 27.6009 27.7369 27.9147 27.9691 28.1728 28.2039 28.3556 28.5280 28.7248 28.8792 28.9829 29.1352 29.1734 29.2491 29.2645 29.3570 29.6127 29.6772 29.8195 29.8850 30.0625 30.2158 30.2422 30.3579 30.4323 30.4567 30.6238 30.9238 31.0644 31.1882 31.2859 31.3845 31.5249 31.5969 31.7660 31.8581 31.9754 32.1757 32.4119 32.4504 32.4700 32.5728 32.6248 32.8759 33.1276 33.3084 33.4566 33.5181 33.6328 33.7122 33.7943 33.8536 34.0699 34.2120 34.3746 34.4276 34.4428 34.6831 34.8898 35.0113 35.0449 35.1983 35.3107 35.3453 35.4877 35.5231 35.6986 35.8816 35.9190 36.0770 36.2262 36.3684 36.4720 36.6562 36.7037 36.8462 36.9722 37.1934 37.3329 37.4059 37.4607 37.5195 37.6720 37.7274 37.9948 38.0563 38.1379 38.2202 38.4157 38.5032 38.5972 38.6588 38.7703 38.8675 38.9765 39.1361 39.2206 39.3179 39.4599 39.5140 39.6371 39.7650 39.9610 40.0675 40.1565 40.2362 40.5108 40.6632 40.7198 40.9429 41.1157 41.1768 41.2654 41.4157 41.4869 41.6544 41.8310 42.0162 42.0990 42.2170 42.3468 42.3775 42.5549 42.7227 42.7535 42.8734 43.0254 43.1466 43.2943 43.3591 43.4432 43.6277 43.6533 43.6989 43.8267 44.0238 44.1384 44.2587 44.3451 44.5302 44.6071 44.7492 44.9217 44.9946 45.1133 45.2726 45.3296 45.7122 45.7860 45.8371 45.9008 45.9875 46.0357 46.2156 46.4642 46.5832 46.6794 46.7406 46.9688 47.1448 47.2214 47.3713 47.4118 47.6424 47.7978 48.0207 48.0941 48.1717 48.3188 48.5136 48.6342 48.7440 49.0910 49.1249 49.3153 49.5152 49.6455 49.6844 50.0096 50.1340 50.2429 50.5698 50.7691 51.0401 51.3176 51.4469 51.6647 51.9605 52.0813 52.3619 52.4891 52.5619 52.7137 52.7711 53.1550 53.3336 53.4555 53.5554 53.8157 53.9990 54.1453 54.6131 54.7080 54.9656 55.0634 55.1735 55.3660 55.5179 55.7556 55.8983 56.0199 56.1378 56.3295 56.5018 56.8113 57.0035 57.1974 57.2420 57.6511 57.8983 58.1834 58.4448 58.6417 59.0056 59.3986 59.4641 59.5755 59.6926 59.7485 60.1188 60.4757 60.4863 60.6410 60.8745 60.9521 61.3725 61.9991 62.1260 62.5255 62.8142 63.1421 63.2512 63.3635 63.5369 63.6846 63.7894 64.1268 64.2742 64.3487 64.5642 64.8573 65.0593 65.2386 65.4252 65.5348 65.6515 65.7437 65.9553 66.0433 66.1655 66.3528 66.6167 66.8073 67.2250 67.3064 67.4427 67.6220 67.7458 67.9494 68.3352 68.5026 68.8543 69.0214 69.2130 69.4880 69.6616 69.8581 70.4888 70.9145 71.1124 71.3136 71.7107 71.7938 72.1458 72.3047 72.5149 73.0284 73.0789 73.1769 73.4550 73.5103 73.7895 73.8235 73.9849 74.1047 74.2689 74.4874 74.5457 74.8016 74.9572 75.1098 75.1951 75.4269 75.6815 75.8442 75.9923 76.2010 76.2713 76.4236 76.6525 76.8325 76.9602 77.0510 77.2053 77.4592 77.4948 77.5721 77.6933 77.9792 78.0852 78.1418 78.1747 78.3086 78.6296 78.8316 78.9454 79.0085 79.1747 79.2672 79.2843 79.4190 79.4795 79.5886 79.6982 79.7686 79.9313 80.0521 80.2254 80.3825 80.4082 80.6441 80.7079 80.7901 80.9771 81.1799 81.2972 81.5755 81.6120 81.7125 81.9274 82.0009 82.1025 82.3437 82.4663 82.6127 82.7840 82.8993 82.9797 83.0530 83.1519 83.3187 83.4499 83.6096 83.6984 83.7753 83.8438 84.1844 84.3673 84.3995 84.5185 84.6019 84.6507 84.7711 84.8878 85.0909 85.2022 85.3429 85.4471 85.4706 85.5679 85.6167 85.6839 85.7519 85.8240 85.9073 85.9663 86.0349 86.2758 86.3662 86.4126 86.6104 86.7133 87.0001 87.0739 87.2070 87.3721 87.4899 87.6031 87.6506 87.8710 88.0285 88.1173 88.2130 88.3646 88.4487 88.5533 88.7083 88.7993 88.9267 89.0703 89.1699 89.3006 89.3653 89.5297 89.6847 89.7185 89.8366 89.9272 90.0246 90.1329 90.2007 90.3525 90.3635 90.4699 90.5989 90.6805 90.8466 91.0747 91.2084 91.4132 91.5780 91.6097 91.8998 92.0512 92.2188 92.4072 92.5040 92.6043 92.6895 92.7441 92.8058 92.8678 93.0365 93.1551 93.1773 93.3274 93.4135 93.6058 93.6195 93.7153 93.7752 93.8998 94.0276 94.2208 94.3358 94.4290 94.5430 94.7328 94.7690 94.8755 95.1243 95.1589 95.3534 95.3986 95.5066 95.6283 95.7574 95.9318 95.9883 96.0854 96.1935 96.4313 96.4627 96.5356 96.6648 96.7336 96.9795 97.0614 97.1588 97.1973 97.3219 97.3814 97.5852 97.6435 97.7896 97.9169 97.9548 98.1651 98.2570 98.3671 98.4338 98.4940 98.5709 98.8592 99.0492 99.2169 99.2549 99.2779 99.4461 99.7701 99.8753 99.9838 100.0875 100.4377 100.4808 100.5997 100.8024 100.8451 101.1276 101.3516 101.4352 101.5114 101.9589 102.1811 102.3174 102.3997 102.5301 102.7908 102.9927 103.0993 103.3199 103.4888 103.6957 103.9414 104.1056 104.1991 104.3735 104.5644 104.6673 104.7944 104.9321 105.1575 105.3024 105.4536 105.5515 105.6171 105.6513 105.8013 105.9591 106.0166 106.1910 106.2830 106.3327 106.4316 106.6542 106.7293 106.8680 107.0885 107.0929 107.4089 107.4297 107.4868 107.7485 107.9639 108.0965 108.2388 108.3317 108.4600 108.6737 108.7736 108.9440 109.1566 109.2647 109.4056 109.5798 109.7266 109.9902 110.0886 110.2619 110.4129 110.5297 110.6340 110.6854 110.7726 110.8827 111.0642 111.1057 111.2907 111.4539 111.5165 111.6598 111.9005 112.0205 112.0744 112.2434 112.5927 112.7712 112.8854 113.0366 113.0687 113.3694 113.4555 113.5352 113.8560 113.9260 114.1108 114.1629 114.3064 114.3933 114.5010 114.5964 114.6875 114.8608 114.9884 115.0394 115.2608 115.4646 115.6366 115.7335 116.0023 116.2003 116.2401 116.2741 116.4617 116.6532 116.7633 116.9492 117.1229 117.2056 117.2785 117.4003 117.5863 117.6881 117.8427 117.9284 117.9785 118.1631 118.2369 118.3420 118.3950 118.5988 118.6508 118.6821 118.8549 118.9676 119.0441 119.2225 119.4060 119.5249 119.5692 119.6692 119.8524 119.9892 120.0639 120.1034 120.3167 120.5151 120.6664 120.8882 120.9519 121.2891 121.3612 121.6402 121.7391 121.8312 122.0331 122.2013 122.6250 122.8056 122.8204 122.9663 123.1890 123.4318 123.5681 123.9214 123.9701 124.0982 124.2179 124.5510 124.9377 125.2515 125.5877 125.8989 126.1638 126.2752 126.4548 126.6305 126.7697 127.0359 127.3507 127.5918 127.9003 128.0607 128.2340 128.3864 128.8094 128.9493 129.1181 129.1663 129.4387 129.4593 129.6374 129.7916 129.8695 130.1203 130.1886 130.3564 130.4617 130.6484 130.7386 130.7506 130.8915 131.1873 131.3265 131.4723 131.7604 131.9923 132.1551 132.1927 132.4734 132.6451 132.7905 132.8787 132.9958 133.1289 133.7756 133.9627 134.2258 134.3145 134.6198 134.7298 134.9812 135.0027 135.4754 135.6621 135.8259 135.9177 136.2003 136.3769 136.8221 137.1319 137.2817 137.5583 138.0917 138.1822 138.3116 138.4498 138.6209 138.7190 139.1299 139.3786 139.6284 139.9116 140.3722 140.8274 140.9969 141.2513 141.3151 141.5799 141.7461 142.1544 142.3856 142.5990 142.7573 142.8997 143.4653 143.9156 144.1588 144.2614 144.3072 144.3620 144.5038 144.7221 144.9637 145.1095 145.2187 145.3686 145.5866 145.7036 145.7885 145.9215 146.0999 146.2406 146.5439 146.8540 147.0190 147.4681 147.5466 147.7032 147.8962 148.1896 148.2868 148.4292 148.7198 149.1791 149.2415 149.4290 149.7964 149.9703 150.1566 150.2307 150.3502 150.7133 150.7829 150.9944 151.0717 151.3996 151.6634 151.9122 152.0134 152.2563 152.4794 152.7669 153.0514 153.3639 153.7273 153.9788 154.4257 154.6661 154.8076 154.9309 155.1186 155.1976 155.7894 156.0746 156.4526 156.6584 157.0582 157.6073 157.6865 157.7553 157.8247 158.3076 158.4701 158.8287 159.3704 159.6221 159.7342 159.8721 160.0694 160.1275 160.4969 161.1316 161.3608 161.5191 161.8256 162.0069 162.1759 162.9308 163.6719 164.2278 164.6123 166.7087 166.8160 167.9329 168.0329 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