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 52 53 54 55 56 O 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 H H H H 1 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 3 3 3 3 340.24369999999976 AuxInfo=1/0/N:27,25,26,19,20,21,8,9,6,7,22,23,15,24,17,18,16,13,11,10,12,14,5,4,3,2,1/E:(2,3)(4,5,6)(7,8)(9,10)(11,12)(15,16)/CRV:11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:57nOOO1O1CCCCCC3C3C3C3CCC3C3C3CCCC3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7s8;s2s5;s10;s1s3s11;s11;;s14;s2s4s15;s13;s13;s14;s14;s14;s17;s18;s22s23;s17;s18;s24;s6;s6;s7;s7;s8;s8;s9;s9;s15;s15;s19;s19;s19;s20;s20;s20;s21;s21;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-2.7185,-1.4081,.1916;-.2216,1.0112,-.5161;-1.6812,-3.364,.4084;.9802,1.0413,1.3731;-2.3807,-.0372,-.0752;-2.9079,.8747,1.0552;-3.1098,.4297,-1.337;-4.0937,1.6473,.457;-4.4649,.8854,-.8132;-.8963,-.1052,-.1859;-.4315,-1.3403,.0005;-1.6165,-2.1726,.2286;.9466,-1.845,-.0534;.6504,4.0451,-.0784;1.4028,2.7107,-.3142;.7468,1.5171,.2978;1.5684,-2.2943,1.1209;1.6395,-1.8473,-1.2688;.4414,4.2879,1.4147;1.5418,5.1464,-.6512;-.6969,4.0714,-.7978;2.8843,-2.7318,1.0571;2.9551,-2.3039,-1.29;3.5952,-2.7449,-.1399;.8431,-2.3095,2.4344;1.006,-1.3703,-2.5428;5.0115,-3.2345,-.1774;-2.1308,1.5485,1.4161;-3.2036,.2566,1.9021;-3.1422,-.3494,-2.0987;-2.5764,1.2854,-1.7588;-3.7814,2.6597,.1954;-4.9221,1.735,1.1586;-5.0944,.0235,-.5804;-5.0039,1.4991,-1.5344;2.3967,2.7905,.1287;1.5244,2.55,-1.3877;.0238,5.2828,1.5794;1.381,4.2279,1.9672;-.2552,3.572,1.8561;1.7237,4.9967,-1.7172;1.0709,6.1231,-.5278;2.5096,5.1774,-.1475;-1.4155,3.37,-.3702;-1.14,5.0664,-.7193;-.5905,3.8424,-1.86;3.3706,-3.0673,1.9666;3.4914,-2.3106,-2.2323;.1578,-3.1556,2.501;1.5445,-2.3996,3.2622;.2552,-1.4062,2.5924;-.0202,-1.7215,-2.6507;.9815,-.2803,-2.5959;1.57,-1.7184,-3.4069;5.4657,-3.0716,-1.1539;5.6267,-2.7289,.5679;5.065,-4.303,.0385; 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 1653 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1257 ENuc 2686.3467398029 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 3.144e-06 Time for diagonalization 0.530 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.463 sec Total time needed 1.013 sec 8 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 1 1 1 1 340.24369999999976 AuxInfo=1/0/N:27,25,26,19,20,21,8,9,6,7,22,23,15,24,17,18,16,13,11,10,12,14,5,4,3,2,1/E:(2,3)(4,5,6)(7,8)(9,10)(11,12)(15,16)/CRV:11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:57nOOO1O1CCCCCC3C3C3C3CCC3C3C3CCCC3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7s8;s2s5;s10;s1s3s11;s11;;s14;s2s4s15;s13;s13;s14;s14;s14;s17;s18;s22s23;s17;s18;s24;s6;s6;s7;s7;s8;s8;s9;s9;s15;s15;s19;s19;s19;s20;s20;s20;s21;s21;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-2.7185,-1.4081,.1916;-.2216,1.0112,-.5161;-1.6812,-3.364,.4084;.9802,1.0413,1.3731;-2.3807,-.0372,-.0752;-2.9079,.8747,1.0552;-3.1098,.4297,-1.337;-4.0937,1.6473,.457;-4.4649,.8854,-.8131;-.8963,-.1052,-.1859;-.4315,-1.3403,.0005;-1.6165,-2.1726,.2286;.9466,-1.845,-.0534;.6504,4.0451,-.0784;1.4028,2.7107,-.3142;.7468,1.5171,.2978;1.5684,-2.2943,1.1209;1.6395,-1.8473,-1.2688;.4414,4.2879,1.4147;1.5418,5.1464,-.6512;-.6969,4.0714,-.7978;2.8843,-2.7318,1.0571;2.9551,-2.3039,-1.29;3.5952,-2.7449,-.1399;.8431,-2.3095,2.4344;1.006,-1.3703,-2.5428;5.0115,-3.2345,-.1774;-2.1308,1.5485,1.4161;-3.2036,.2566,1.9021;-3.1422,-.3494,-2.0987;-2.5764,1.2854,-1.7588;-3.7814,2.6597,.1954;-4.9221,1.735,1.1586;-5.0944,.0235,-.5804;-5.0039,1.4991,-1.5344;2.3967,2.7905,.1287;1.5244,2.55,-1.3877;.0238,5.2828,1.5794;1.381,4.2279,1.9672;-.2552,3.572,1.8561;1.7237,4.9967,-1.7172;1.0709,6.1231,-.5278;2.5096,5.1774,-.1475;-1.4155,3.37,-.3702;-1.14,5.0664,-.7193;-.5905,3.8424,-1.86;3.3706,-3.0673,1.9666;3.4914,-2.3106,-2.2323;.1578,-3.1556,2.501;1.5445,-2.3996,3.2622;.2552,-1.4062,2.5924;-.0202,-1.7215,-2.6507;.9815,-.2803,-2.5959;1.57,-1.7184,-3.4069;5.4657,-3.0716,-1.1539;5.6267,-2.7289,.5679;5.065,-4.303,.0385; 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" 340.24369999999976 AuxInfo=1/0/N:27,25,26,19,20,21,8,9,6,7,22,23,15,24,17,18,16,13,11,10,12,14,5,4,3,2,1/E:(2,3)(4,5,6)(7,8)(9,10)(11,12)(15,16)/CRV:11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:57nOOO1O1CCCCCC3C3C3C3CCC3C3C3CCCC3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s5;s6;s7s8;s2s5;s10;s1s3s11;s11;;s14;s2s4s15;s13;s13;s14;s14;s14;s17;s18;s22s23;s17;s18;s24;s6;s6;s7;s7;s8;s8;s9;s9;s15;s15;s19;s19;s19;s20;s20;s20;s21;s21;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-2.7185,-1.4081,.1916;-.2216,1.0112,-.5161;-1.6812,-3.364,.4084;.9802,1.0413,1.3731;-2.3807,-.0372,-.0752;-2.9079,.8747,1.0552;-3.1098,.4297,-1.337;-4.0937,1.6473,.457;-4.4649,.8854,-.8132;-.8963,-.1052,-.1859;-.4315,-1.3403,.0005;-1.6165,-2.1726,.2286;.9466,-1.845,-.0534;.6504,4.0451,-.0784;1.4028,2.7107,-.3142;.7468,1.5171,.2978;1.5684,-2.2943,1.1209;1.6395,-1.8473,-1.2688;.4414,4.2879,1.4147;1.5418,5.1464,-.6512;-.6969,4.0714,-.7978;2.8843,-2.7318,1.0571;2.9551,-2.3039,-1.29;3.5952,-2.7449,-.1399;.8431,-2.3095,2.4344;1.006,-1.3703,-2.5428;5.0115,-3.2345,-.1774;-2.1308,1.5485,1.4161;-3.2036,.2566,1.9021;-3.1422,-.3494,-2.0987;-2.5764,1.2854,-1.7588;-3.7814,2.6597,.1954;-4.9221,1.735,1.1586;-5.0944,.0235,-.5804;-5.0039,1.4991,-1.5344;2.3967,2.7905,.1287;1.5244,2.55,-1.3877;.0238,5.2828,1.5794;1.381,4.2279,1.9672;-.2552,3.572,1.8561;1.7237,4.9967,-1.7172;1.0709,6.1231,-.5278;2.5096,5.1774,-.1475;-1.4155,3.37,-.3702;-1.14,5.0664,-.7193;-.5905,3.8424,-1.86;3.3706,-3.0673,1.9666;3.4914,-2.3106,-2.2323;.1578,-3.1556,2.501;1.5445,-2.3996,3.2622;.2552,-1.4062,2.5924;-.0202,-1.7215,-2.6507;.9815,-.2803,-2.5959;1.57,-1.7184,-3.4069;5.4657,-3.0716,-1.1539;5.6267,-2.7289,.5679;5.065,-4.303,.0385; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O C H 1.5200 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 3369 GEPOL Volume 2586.2370 GEPOL Surface-area 1510.0822 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.3s -1195.59047795 2686.34673980 -3881.93721775 -6966.61967873 3084.68246098 -0.04222103 -2385.81576264 1190.22528469 2.00450771 99.999862976995 99.999862976995 199.999725953990 -117.212063638438 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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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 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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 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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29.3419 29.4273 29.5711 29.6681 29.7077 29.8370 29.9062 30.1431 30.3039 30.4371 30.4520 30.5697 30.6668 30.7646 30.8311 31.0099 31.1340 31.2562 31.3421 31.4239 31.5238 31.6908 31.8163 32.0645 32.1491 32.2785 32.3291 32.4948 32.5989 32.8089 32.8962 32.9228 33.0910 33.1391 33.2086 33.3219 33.5005 33.5483 33.7293 33.8372 33.9146 34.0596 34.1903 34.3014 34.4911 34.7628 34.7997 34.9119 35.0241 35.1824 35.2627 35.3210 35.4318 35.5043 35.6154 35.6770 35.8091 36.0980 36.1499 36.2696 36.5397 36.5730 36.6609 36.6921 36.9151 37.1140 37.2377 37.2667 37.4033 37.5124 37.5881 37.7056 37.9520 38.0117 38.2378 38.3197 38.4616 38.5739 38.8369 39.0085 39.0707 39.3038 39.4270 39.5418 39.5804 39.7828 39.9665 40.0223 40.0417 40.2326 40.2585 40.3746 40.4812 40.5765 40.6614 40.8604 40.9495 41.0764 41.2419 41.3679 41.3942 41.5753 41.6888 41.8707 41.9378 41.9900 42.1573 42.3810 42.4370 42.5315 42.6280 42.7957 42.9229 43.0921 43.1918 43.3556 43.3814 43.5519 43.6895 43.7949 43.8770 43.9134 44.0026 44.1685 44.3027 44.4242 44.4907 44.5648 44.6695 44.7854 44.8721 45.1338 45.2130 45.3259 45.4521 45.5674 45.7341 45.8111 46.0849 46.1567 46.2223 46.4089 46.5639 46.7302 46.8516 47.0565 47.1143 47.1752 47.4157 47.5792 47.6235 47.6944 47.7424 47.9088 47.9533 48.1280 48.2142 48.4620 48.5269 48.6430 48.6647 48.9698 49.2415 49.4031 49.4609 49.6464 49.7412 49.8486 49.9727 50.1525 50.3705 50.5423 50.6225 50.6903 50.8495 50.9999 51.4697 51.6474 51.8373 51.9763 52.3768 52.5178 52.8734 52.9267 53.1241 53.5601 53.7482 54.0373 54.2285 54.6993 54.7872 54.8888 55.3173 55.4014 55.7192 55.9581 56.0903 56.1074 56.3056 56.5944 56.9841 57.1745 57.4151 57.7957 57.9203 58.0376 58.2572 58.3209 58.7350 59.0412 59.0852 59.4026 59.6313 59.6785 59.8018 60.3774 60.6273 60.6505 60.7516 60.8505 61.0874 61.2625 61.5207 61.6632 62.0588 62.2700 62.3787 62.6845 62.8603 63.0753 63.3679 63.4998 63.6728 63.8178 64.0762 64.1832 64.5584 64.6434 64.9638 65.1629 65.2295 65.5440 65.7802 66.0288 66.3754 66.4990 66.5323 66.7365 67.4207 67.7214 68.1162 68.5025 68.5932 69.0197 69.1500 69.5532 69.5939 69.7217 70.0065 70.0774 70.1922 70.2169 70.4513 70.5339 70.8847 71.1667 71.2959 71.5693 71.7044 71.7708 72.2194 72.3654 72.4565 72.8305 72.9261 73.1075 73.2111 73.4483 73.6312 73.7417 73.8834 74.2289 74.3392 74.5514 74.9071 75.0693 75.3317 75.5334 75.5876 75.7475 75.9457 76.0122 76.1292 76.3527 76.5607 76.7687 77.0268 77.1279 77.2712 77.2960 77.4763 77.5136 77.7315 77.9023 78.0195 78.2116 78.2804 78.4580 78.6033 78.7302 78.8374 78.8604 79.0986 79.2466 79.2770 79.4365 79.5310 79.7146 79.8433 79.8932 79.9432 80.0302 80.2001 80.5743 80.6238 80.8175 80.8908 81.0221 81.2235 81.3577 81.4079 81.4873 81.6139 81.7377 81.8333 81.9538 82.0324 82.1153 82.2688 82.4268 82.5247 82.5531 82.7037 82.9058 83.2266 83.3407 83.3744 83.5681 83.7816 83.8278 83.9478 84.1239 84.2441 84.3372 84.3788 84.5177 84.7550 84.8490 85.0389 85.0928 85.2321 85.4067 85.5011 85.6598 85.8436 86.0198 86.0949 86.1044 86.2350 86.2783 86.4058 86.6135 86.6565 86.7849 86.9759 87.0848 87.1544 87.2874 87.3185 87.4104 87.6291 87.7476 87.8413 88.0565 88.1470 88.2013 88.3317 88.4224 88.5263 88.6956 88.7679 88.8608 89.1138 89.1710 89.3432 89.5205 89.6401 89.7298 89.8085 90.0277 90.1084 90.1784 90.2498 90.3460 90.5456 90.7282 90.7715 90.9095 91.0338 91.1708 91.2779 91.4158 91.4892 91.6127 91.6851 91.8700 91.9466 91.9887 92.0756 92.1172 92.2588 92.4810 92.6759 92.7496 92.7809 93.0004 93.2011 93.2683 93.3538 93.4418 93.5878 93.6981 93.9174 94.0619 94.1328 94.2141 94.2877 94.4139 94.5258 94.6342 94.8159 94.8608 94.9778 95.0702 95.1821 95.2895 95.4354 95.6445 95.8366 95.8848 95.9667 96.2237 96.3510 96.4530 96.6625 96.7687 96.9692 97.0207 97.0976 97.1635 97.2464 97.3191 97.4152 97.5422 97.7433 97.8635 97.9716 98.1310 98.2359 98.2723 98.4423 98.6238 98.6893 98.7532 98.9783 99.1035 99.3123 99.4304 99.4784 99.6279 99.8374 99.9076 99.9921 100.1250 100.1979 100.3390 100.5536 100.6107 100.6945 100.7561 100.9509 101.0516 101.0847 101.2063 101.2701 101.3836 101.4776 101.6404 101.8104 101.9617 102.0210 102.1661 102.2157 102.3719 102.4256 102.5552 102.7278 102.7860 102.9779 103.0590 103.1032 103.4422 103.5479 103.6148 103.7905 104.0798 104.0851 104.2434 104.4356 104.6787 104.8294 104.9627 105.0184 105.1101 105.3128 105.4396 105.5874 105.8315 106.0180 106.1579 106.3087 106.4349 106.8673 107.0566 107.1120 107.3343 107.7226 107.7755 108.0089 108.1578 108.3070 108.3530 108.4919 108.6114 108.6609 108.8766 109.0414 109.2800 109.3059 109.5222 109.6296 109.7569 109.7660 109.9434 110.0160 110.2058 110.3037 110.4306 110.5478 110.8186 110.9910 111.0074 111.2433 111.5596 111.6506 111.6749 111.9532 112.0919 112.2080 112.3004 112.3957 112.6284 112.8037 112.8937 113.0856 113.1206 113.1787 113.3887 113.4387 113.6589 113.7868 113.9674 114.0471 114.1777 114.4459 114.4832 114.5288 114.6117 114.6601 114.7950 114.8086 115.0123 115.2540 115.2931 115.3459 115.4474 115.6278 115.6538 115.8604 115.9661 116.0642 116.2700 116.3202 116.3684 116.4190 116.6629 116.8319 116.9781 117.1793 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