Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl 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 H H H H H H H H H H H H H H H H H H H H H H 1 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-2.4935,-1.5289,2.8;2.7187,.7047,-.3926;2.0148,-.3424,-2.249;-2.6296,1.1553,.5133;3.85,3.8163,-.5768;2.6654,-1.637,-.3104;2.9886,-2.8714,-1.1571;1.3806,-1.7061,.4975;4.3211,-2.685,-1.8756;3.0359,-4.1172,-.2812;2.4539,-.3871,-1.131;.1925,-2.1484,-.0779;1.3483,-1.2125,1.7976;2.0549,1.9258,-.7245;-.9988,-2.1135,.6298;.1631,-1.1596,2.5156;.9071,2.106,.237;-1.0038,-1.6084,1.9201;-.3322,1.592,-.1322;1.1011,2.6547,1.4971;-1.3889,1.6546,.7662;3.0588,2.9837,-.631;.0369,2.7022,2.3865;-1.2058,2.21,2.0284;-3.0742,.9224,-.7638;-3.7147,-.2859,-.9933;-2.9733,1.8765,-1.7683;-4.2547,-.5447,-2.2452;-3.5064,1.5989,-3.0188;-4.1473,.3918,-3.2639;3.4932,-1.4639,.3837;2.2071,-3.0077,-1.9101;4.3224,-1.824,-2.545;5.1344,-2.5504,-1.1591;4.5563,-3.5625,-2.479;3.783,-4.0141,.509;3.3044,-4.9906,-.8764;2.0772,-4.3283,.1925;.18,-2.5257,-1.0928;2.2594,-.858,2.2628;1.6953,1.9139,-1.7569;-1.9113,-2.4684,.1715;.1547,-.7666,3.5231;-.4549,1.1478,-1.1121;2.0665,3.0451,1.7932;.1757,3.1307,3.3699;-2.0352,2.2506,2.723;-3.8007,-1.0106,-.1936;-2.4915,2.828,-1.5839;-4.7579,-1.4859,-2.4214;-3.4266,2.3397,-3.8035;-4.564,.1855,-4.2406; 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 1714 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 220 Dim 1249 ENuc 3107.5668879021 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 5.036e-06 Time for diagonalization 0.392 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.392 sec Total time needed 0.796 sec 17 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-2.4935,-1.5289,2.8;2.7187,.7047,-.3926;2.0148,-.3424,-2.249;-2.6296,1.1553,.5133;3.85,3.8163,-.5768;2.6654,-1.637,-.3104;2.9886,-2.8714,-1.1571;1.3806,-1.7061,.4975;4.3211,-2.685,-1.8756;3.0359,-4.1172,-.2812;2.4539,-.3871,-1.131;.1925,-2.1484,-.0779;1.3483,-1.2125,1.7976;2.0549,1.9258,-.7245;-.9988,-2.1135,.6298;.1631,-1.1596,2.5156;.9071,2.106,.237;-1.0038,-1.6084,1.9201;-.3322,1.592,-.1322;1.1011,2.6547,1.4971;-1.3889,1.6546,.7662;3.0588,2.9837,-.631;.0369,2.7022,2.3865;-1.2058,2.21,2.0284;-3.0742,.9224,-.7638;-3.7147,-.2859,-.9933;-2.9733,1.8765,-1.7683;-4.2547,-.5447,-2.2452;-3.5064,1.5989,-3.0188;-4.1473,.3918,-3.2639;3.4932,-1.4639,.3837;2.2071,-3.0077,-1.9101;4.3224,-1.824,-2.545;5.1344,-2.5504,-1.1591;4.5563,-3.5625,-2.479;3.783,-4.0141,.509;3.3044,-4.9906,-.8764;2.0772,-4.3283,.1925;.18,-2.5257,-1.0928;2.2594,-.858,2.2628;1.6953,1.9139,-1.7569;-1.9113,-2.4684,.1715;.1547,-.7666,3.5231;-.4549,1.1478,-1.1121;2.0665,3.0451,1.7932;.1757,3.1307,3.3699;-2.0352,2.2506,2.723;-3.8007,-1.0106,-.1936;-2.4915,2.828,-1.5839;-4.7579,-1.4859,-2.4214;-3.4266,2.3397,-3.8035;-4.564,.1855,-4.2406; 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 "WATER" 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-2.4935,-1.5289,2.8;2.7187,.7047,-.3926;2.0148,-.3424,-2.249;-2.6296,1.1553,.5133;3.85,3.8163,-.5768;2.6654,-1.637,-.3104;2.9886,-2.8714,-1.1571;1.3806,-1.7061,.4975;4.3211,-2.685,-1.8756;3.0359,-4.1172,-.2812;2.4539,-.3871,-1.131;.1925,-2.1484,-.0779;1.3483,-1.2125,1.7976;2.0549,1.9258,-.7245;-.9988,-2.1135,.6298;.1631,-1.1596,2.5156;.9071,2.106,.237;-1.0038,-1.6084,1.9201;-.3322,1.592,-.1322;1.1011,2.6547,1.4971;-1.3889,1.6546,.7662;3.0588,2.9837,-.631;.0369,2.7022,2.3865;-1.2058,2.21,2.0284;-3.0742,.9224,-.7638;-3.7147,-.2859,-.9933;-2.9733,1.8765,-1.7683;-4.2547,-.5447,-2.2452;-3.5064,1.5989,-3.0188;-4.1473,.3918,-3.2639;3.4932,-1.4639,.3837;2.2071,-3.0077,-1.9101;4.3224,-1.824,-2.545;5.1344,-2.5504,-1.1591;4.5563,-3.5625,-2.479;3.783,-4.0141,.509;3.3044,-4.9906,-.8764;2.0772,-4.3283,.1925;.18,-2.5257,-1.0928;2.2594,-.858,2.2628;1.6953,1.9139,-1.7569;-1.9113,-2.4684,.1715;.1547,-.7666,3.5231;-.4549,1.1478,-1.1121;2.0665,3.0451,1.7932;.1757,3.1307,3.3699;-2.0352,2.2506,2.723;-3.8007,-1.0106,-.1936;-2.4915,2.828,-1.5839;-4.7579,-1.4859,-2.4214;-3.4266,2.3397,-3.8035;-4.564,.1855,-4.2406; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3081 GEPOL Volume 2940.9205 GEPOL Surface-area 1616.8611 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1706.64104588 3107.56688790 -4814.20793379 -8509.66674765 3695.45881386 -0.03604589 -3407.17856312 1700.53751723 2.00358918 110.000429135746 110.000429135746 220.000858271491 -142.763471300002 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 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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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14.0660 14.1616 14.2696 14.2941 14.3875 14.4397 14.5386 14.6643 14.6878 14.8320 14.8915 15.0365 15.1472 15.1717 15.2399 15.3967 15.4449 15.5669 15.6151 15.6532 15.7492 15.7975 15.8613 15.9680 16.0123 16.1326 16.2003 16.4209 16.4554 16.5893 16.7349 16.8065 16.8531 16.9382 17.0702 17.1771 17.3540 17.4288 17.5188 17.7666 17.7925 17.8856 17.9740 18.1509 18.2432 18.2615 18.3280 18.6228 18.7029 18.8332 19.0683 19.1759 19.3317 19.3362 19.4114 19.7271 19.8645 19.9305 20.0296 20.1667 20.3003 20.3170 20.4441 20.7145 20.7801 20.9650 21.0884 21.2309 21.3314 21.4305 21.5671 21.6117 21.7129 21.7354 21.8394 21.9509 22.0666 22.1211 22.1964 22.3307 22.5383 22.7527 22.7743 22.8785 23.1776 23.2668 23.3455 23.4403 23.4937 23.6264 23.7483 23.8354 23.9267 24.1884 24.4030 24.4585 24.4806 24.5813 24.9344 25.0186 25.1151 25.2015 25.3822 25.5049 25.5407 25.6350 25.7960 25.8860 25.9944 26.1254 26.2564 26.5080 26.5778 26.6908 26.7884 27.0633 27.2391 27.4224 27.5534 27.6255 27.7093 27.9433 28.0604 28.0965 28.1386 28.3389 28.6618 28.8582 28.9066 28.9389 29.1024 29.2856 29.3336 29.3887 29.5232 29.5462 29.6574 29.8336 29.9613 30.1324 30.2157 30.3235 30.3965 30.6156 30.6878 30.8424 31.0206 31.0510 31.2113 31.4512 31.5052 31.5958 31.8325 31.9632 31.9854 32.1770 32.3774 32.5920 32.7089 32.7671 32.8592 33.0778 33.2030 33.2356 33.3539 33.3645 33.4816 33.6432 33.7252 33.8781 33.9973 34.0808 34.2235 34.4043 34.4688 34.6874 34.8183 35.1158 35.1998 35.3405 35.4119 35.5505 35.6849 35.7447 35.8095 35.9358 36.0920 36.2815 36.3176 36.4882 36.5951 36.7073 36.8444 37.0241 37.1151 37.1658 37.2191 37.3383 37.5181 37.6520 37.7986 37.8830 37.9642 38.0851 38.1816 38.3210 38.4643 38.4950 38.5679 38.7586 38.8754 38.9532 39.0269 39.2633 39.4140 39.4461 39.5201 39.5698 39.7988 39.9792 40.0322 40.0750 40.2463 40.3895 40.4297 40.5306 40.6366 40.7709 40.9697 41.0703 41.1892 41.3188 41.3477 41.4617 41.5652 41.7492 42.1025 42.1844 42.4206 42.4932 42.6083 42.7304 42.8229 42.8792 43.0009 43.3069 43.4565 43.6152 43.6423 43.8522 43.8830 43.9883 44.1292 44.3578 44.4212 44.5217 44.7093 44.8428 44.8819 44.9939 45.0197 45.2307 45.3632 45.5917 45.6955 45.7396 45.9214 46.1525 46.2442 46.3544 46.5667 46.7780 46.8503 46.8952 47.0226 47.2359 47.2910 47.5065 47.6054 47.8028 47.8503 47.9638 48.1227 48.3046 48.4717 48.6611 48.7915 48.9165 49.1749 49.2459 49.3528 49.4241 49.6496 49.8651 49.9473 50.0511 50.0780 50.2432 50.3491 50.5292 50.6830 50.9472 51.1036 51.2213 51.4838 51.6444 51.6914 52.0909 52.1518 52.2979 52.5036 52.5468 52.7334 52.9415 53.0109 53.0871 53.3427 53.5439 53.6406 53.8235 53.9649 54.0203 54.1759 54.4790 55.0838 55.4942 55.6032 55.7031 55.8554 55.9828 56.2161 56.3343 56.5349 56.7672 56.8502 57.1594 57.3179 57.4111 57.4422 57.7917 58.0594 58.1170 58.2794 58.3832 58.5065 58.7353 58.9726 59.2017 59.5111 59.5525 59.7990 59.8738 59.9905 60.2211 60.3289 60.3851 60.6511 60.8215 60.9685 61.1637 61.2948 61.6849 61.8674 62.0022 62.3309 62.3864 62.7974 62.9235 63.2404 63.4501 63.6346 64.0839 64.1405 64.4890 64.6061 64.6951 64.8674 64.9365 65.0544 65.2587 65.4516 65.5815 65.6626 65.6674 65.8896 66.0460 66.2762 66.3818 66.7014 66.7624 66.9418 67.0311 67.3866 67.4705 67.6194 67.8955 68.1833 68.2312 68.3916 68.4407 68.6513 68.7721 68.9552 69.0147 69.1512 69.2331 69.6145 70.0709 70.2614 70.7355 71.0358 71.3232 71.9333 72.1054 72.2651 72.4095 72.8707 73.1662 73.2972 73.5186 73.7221 73.9423 74.2303 74.3196 74.8094 74.8530 75.0411 75.2010 75.4086 75.4554 75.7890 76.0618 76.0887 76.2984 76.4148 76.6505 76.6544 76.8196 76.9782 77.1310 77.2630 77.3095 77.5426 77.7365 77.8198 77.9326 78.1298 78.2508 78.3248 78.5733 78.8297 78.8742 79.0280 79.1065 79.1821 79.3237 79.4571 79.4856 79.6420 79.7163 79.7724 79.8442 79.9515 80.0479 80.2709 80.3452 80.5293 80.5824 80.7819 81.0967 81.2346 81.3756 81.4400 81.5733 81.6085 81.9182 82.0925 82.2014 82.3828 82.5310 82.6368 82.7881 82.8811 83.0234 83.1139 83.4522 83.5667 83.6155 83.6697 83.7855 83.8857 84.0103 84.2864 84.4065 84.4693 84.5298 84.6616 84.8177 85.0378 85.1091 85.2132 85.2911 85.4033 85.4731 85.5380 85.5942 85.8053 85.8452 85.9400 86.0858 86.1503 86.2398 86.2985 86.5707 86.6140 86.6688 86.9071 86.9871 87.1036 87.1860 87.2704 87.3685 87.5582 87.6790 87.8272 87.9495 88.0522 88.0937 88.2635 88.3868 88.5823 88.6310 88.7508 88.8943 89.1457 89.2315 89.2655 89.3189 89.4241 89.5044 89.6586 89.7898 89.8637 89.9853 90.0593 90.2223 90.3543 90.5211 90.6312 90.7276 90.8174 90.9512 91.0949 91.1691 91.4233 91.5129 91.6138 91.7946 91.9385 92.1295 92.2112 92.4202 92.4681 92.5148 92.6710 92.7225 92.8161 93.0670 93.1545 93.2161 93.2879 93.3563 93.4946 93.5939 93.6824 93.7886 93.8685 94.0896 94.1290 94.2132 94.2568 94.4294 94.5443 94.7644 94.8084 94.9618 95.0955 95.2525 95.3512 95.5018 95.5898 95.6424 95.7194 95.8287 95.9635 96.0631 96.3039 96.4257 96.5761 96.6071 96.8316 96.8422 97.0288 97.1410 97.1852 97.3282 97.4189 97.6306 97.7254 97.7880 97.9235 98.0401 98.1193 98.2435 98.4288 98.5375 98.7413 98.7867 98.9870 99.1213 99.1930 99.3056 99.4953 99.6168 99.7729 99.8491 99.8684 100.0666 100.1293 100.1651 100.4948 100.6755 100.8381 100.9134 101.0391 101.2776 101.2935 101.6070 101.8903 102.0448 102.3929 102.5204 102.5797 102.7520 102.8447 103.0898 103.3878 103.6619 103.7217 103.8059 103.9807 104.1523 104.3551 104.5715 104.6846 104.9110 105.0513 105.2493 105.3969 105.4531 105.5085 105.5941 105.6729 105.7720 105.8900 106.1061 106.1378 106.2494 106.3052 106.4435 106.7513 106.7798 107.0026 107.0913 107.1143 107.2269 107.3709 107.4183 107.7445 107.7501 107.9163 108.0776 108.2009 108.3878 108.4364 108.6509 108.7819 108.9332 109.1741 109.4370 109.4993 109.6909 109.8249 109.9748 110.1394 110.2374 110.3066 110.3683 110.6314 110.8438 110.9743 111.0250 111.2015 111.4366 111.5989 111.6217 111.7394 111.9734 112.1555 112.1834 112.3853 112.6051 112.8883 113.1340 113.2079 113.2484 113.6285 113.7568 114.0006 114.1274 114.2876 114.4918 114.6351 114.9239 115.0130 115.0767 115.2555 115.4683 115.6059 115.7761 115.9192 116.0696 116.2125 116.2369 116.3615 116.5779 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