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 52 53 54 55 56 57 Si F 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 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 1 2 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 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 5 5 5 5 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-3.8618,-.077,1.4325;2.6002,.2134,-.5174;.8416,3.7249,1.6676;1.6028,-2.3385,-.4847;-3.5585,-1.1082,-.1194;-3.5898,-.2831,-1.4125;-2.4075,1.1128,1.5678;-3.8996,-1.1992,2.9429;-5.4651,.8967,1.2914;-2.5819,-.7517,-2.4701;-2.5221,2.4814,1.3017;-1.1323,.6423,1.8834;-1.1673,-.5127,-2.0203;-1.4302,3.3303,1.3437;-.021,1.4744,1.9379;-.1656,2.8322,1.6599;-.3771,-1.5528,-1.5398;-.6423,.7783,-2.0083;.8905,-1.3115,-1.0332;.6296,1.0324,-1.5183;1.3787,-.0139,-1.024;2.1626,3.2773,1.9431;3.0869,4.4643,1.8363;2.8296,-2.6601,-.9988;3.6956,-3.334,-.1472;3.202,-2.3738,-2.3054;4.9461,-3.7152,-.6074;4.4606,-2.7578,-2.7489;5.3388,-3.4249,-1.9075;-2.5758,-1.5733,.019;-4.2643,-1.9416,-.1851;-3.3913,.7764,-1.2154;-4.5952,-.3152,-1.8387;-2.9733,-1.7686,3.0475;-4.0377,-.6308,3.8651;-4.7159,-1.9227,2.8804;-5.6375,1.5263,2.1669;-5.483,1.5448,.4129;-6.3195,.2209,1.2081;-2.7347,-1.8127,-2.6826;-2.7662,-.2126,-3.403;-3.487,2.9086,1.0525;-.9774,-.4111,2.0934;-1.548,4.386,1.1293;.9407,1.0475,2.1895;-.7516,-2.5698,-1.542;-1.2348,1.6055,-2.38;1.0311,2.0376,-1.5058;2.4571,2.5003,1.2298;2.2139,2.8417,2.9467;4.1082,4.1475,2.0487;3.0736,4.8936,.8339;2.8241,5.2441,2.5519;3.3905,-3.5536,.8685;2.5278,-1.8634,-2.9819;5.6199,-4.2354,.0612;4.751,-2.5306,-3.7666;6.3189,-3.7169,-2.2608; 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 1742 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 218 Dim 1316 ENuc 2934.2745447739 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 5.643e-06 Time for diagonalization 1.273 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 1.095 sec Total time needed 2.391 sec 14 9 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 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 1 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-3.8618,-.077,1.4325;2.6002,.2134,-.5174;.8416,3.7249,1.6676;1.6028,-2.3385,-.4847;-3.5585,-1.1082,-.1194;-3.5898,-.2831,-1.4125;-2.4075,1.1128,1.5678;-3.8996,-1.1992,2.9429;-5.4651,.8967,1.2914;-2.5819,-.7517,-2.4701;-2.5221,2.4814,1.3017;-1.1323,.6423,1.8834;-1.1673,-.5127,-2.0203;-1.4302,3.3303,1.3437;-.021,1.4744,1.9379;-.1656,2.8322,1.6599;-.3771,-1.5528,-1.5398;-.6423,.7783,-2.0083;.8905,-1.3115,-1.0332;.6296,1.0324,-1.5183;1.3787,-.0139,-1.024;2.1626,3.2773,1.9431;3.0869,4.4643,1.8363;2.8296,-2.6601,-.9988;3.6956,-3.334,-.1472;3.202,-2.3738,-2.3054;4.9461,-3.7152,-.6074;4.4606,-2.7578,-2.7489;5.3388,-3.4249,-1.9075;-2.5758,-1.5733,.019;-4.2643,-1.9416,-.1851;-3.3913,.7764,-1.2154;-4.5952,-.3152,-1.8387;-2.9733,-1.7686,3.0475;-4.0377,-.6308,3.8651;-4.7159,-1.9227,2.8804;-5.6375,1.5263,2.1669;-5.483,1.5448,.4129;-6.3195,.2209,1.2081;-2.7347,-1.8127,-2.6826;-2.7662,-.2126,-3.403;-3.487,2.9086,1.0525;-.9774,-.4111,2.0934;-1.548,4.386,1.1293;.9407,1.0475,2.1895;-.7516,-2.5698,-1.542;-1.2348,1.6055,-2.38;1.0311,2.0376,-1.5058;2.4571,2.5003,1.2298;2.2139,2.8417,2.9467;4.1082,4.1475,2.0487;3.0736,4.8936,.8339;2.8241,5.2441,2.5519;3.3905,-3.5536,.8685;2.5278,-1.8634,-2.9819;5.6199,-4.2354,.0612;4.751,-2.5306,-3.7666;6.3189,-3.7169,-2.2608; 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" 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-3.8618,-.077,1.4325;2.6002,.2134,-.5174;.8416,3.7249,1.6676;1.6028,-2.3385,-.4847;-3.5585,-1.1082,-.1194;-3.5898,-.2831,-1.4125;-2.4075,1.1128,1.5678;-3.8996,-1.1992,2.9429;-5.4651,.8967,1.2914;-2.5819,-.7517,-2.4701;-2.5221,2.4814,1.3017;-1.1323,.6423,1.8834;-1.1673,-.5127,-2.0203;-1.4302,3.3303,1.3437;-.021,1.4744,1.9379;-.1656,2.8322,1.6599;-.3771,-1.5528,-1.5398;-.6423,.7783,-2.0083;.8905,-1.3115,-1.0332;.6296,1.0324,-1.5183;1.3787,-.0139,-1.024;2.1626,3.2773,1.9431;3.0869,4.4643,1.8363;2.8296,-2.6601,-.9988;3.6956,-3.334,-.1472;3.202,-2.3738,-2.3054;4.9461,-3.7152,-.6074;4.4606,-2.7578,-2.7489;5.3388,-3.4249,-1.9075;-2.5758,-1.5733,.019;-4.2643,-1.9416,-.1851;-3.3913,.7764,-1.2154;-4.5952,-.3152,-1.8387;-2.9733,-1.7686,3.0475;-4.0377,-.6308,3.8651;-4.7159,-1.9227,2.8804;-5.6375,1.5263,2.1669;-5.483,1.5448,.4129;-6.3195,.2209,1.2081;-2.7347,-1.8127,-2.6826;-2.7662,-.2126,-3.403;-3.487,2.9086,1.0525;-.9774,-.4111,2.0934;-1.548,4.386,1.1293;.9407,1.0475,2.1895;-.7516,-2.5698,-1.542;-1.2348,1.6055,-2.38;1.0311,2.0376,-1.5058;2.4571,2.5003,1.2298;2.2139,2.8417,2.9467;4.1082,4.1475,2.0487;3.0736,4.8936,.8339;2.8241,5.2441,2.5519;3.3905,-3.5536,.8685;2.5278,-1.8634,-2.9819;5.6199,-4.2354,.0612;4.751,-2.5306,-3.7666;6.3189,-3.7169,-2.2608; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 1.6280 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 3392 GEPOL Volume 2911.8935 GEPOL Surface-area 1637.0604 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.8s) Overall time for CPCM initialization 1.9s -1510.07029365 2934.27454477 -4444.34483842 -7899.34050193 3454.99566351 -0.02286169 -3013.98064721 1503.91035356 2.00409595 109.000060200932 109.000060200932 218.000120401865 -135.230092268308 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 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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29.6045 29.6492 29.7902 29.8664 30.0106 30.0443 30.2282 30.2876 30.4699 30.5198 30.6306 30.7239 30.8716 31.0626 31.1605 31.3288 31.3571 31.5425 31.6517 31.7761 31.8704 31.9693 32.0907 32.1557 32.1990 32.4362 32.4933 32.5779 32.6648 32.8622 33.0302 33.0954 33.2227 33.2929 33.4499 33.4951 33.7814 33.8439 33.9283 34.0680 34.1204 34.3362 34.4225 34.4968 34.5560 34.6774 34.7623 34.8757 35.0870 35.2191 35.3836 35.4357 35.5055 35.5419 35.7568 35.9581 36.0087 36.0832 36.1525 36.4342 36.5730 36.6098 36.6622 36.9134 36.9497 37.0779 37.2355 37.2796 37.3129 37.6126 37.6381 37.7945 38.0003 38.0748 38.1604 38.3939 38.4094 38.5098 38.5872 38.6919 38.8655 38.9161 39.0458 39.1696 39.1834 39.3056 39.5002 39.6336 39.6668 39.7690 39.9086 39.9243 39.9973 40.2346 40.4249 40.4621 40.5726 40.6124 40.7505 40.9389 41.0399 41.1138 41.1579 41.2585 41.3290 41.4339 41.5517 41.6205 41.6988 41.9685 42.0593 42.2450 42.3391 42.3758 42.4655 42.5807 42.6731 42.7325 42.9359 42.9851 43.0265 43.0840 43.2091 43.3636 43.4022 43.5136 43.7647 43.8199 43.9222 43.9971 44.1274 44.1874 44.2487 44.3610 44.5202 44.5889 44.7475 44.8681 45.0318 45.1562 45.1968 45.3969 45.4973 45.5714 45.6246 45.6757 45.8602 45.9393 46.0725 46.1442 46.3315 46.4836 46.5208 46.6825 46.9582 47.0672 47.1862 47.3431 47.3776 47.5579 47.7077 47.8432 47.8918 48.1026 48.2540 48.4464 48.5184 48.7972 48.8237 49.1372 49.3042 49.3394 49.4563 49.6708 49.7592 49.8735 50.0082 50.1162 50.2628 50.3794 50.5583 50.7945 51.1124 51.1489 51.4893 51.6714 52.0816 52.1653 52.2925 52.4284 52.6190 52.7080 52.7504 52.9277 53.1249 53.1610 53.2427 53.6737 53.9639 54.2257 54.2954 54.3515 54.8313 55.0417 55.0927 55.2525 55.3744 55.7216 55.9078 56.0895 56.3529 56.7265 56.8453 56.9383 57.0151 57.2421 57.3877 57.4852 57.7045 57.8915 58.1243 58.2977 58.6324 58.7176 58.9008 59.1021 59.3190 59.4872 59.8028 59.9046 60.0121 60.1535 60.5236 60.7527 60.9470 61.1145 61.2588 61.6241 61.6618 61.7924 62.1096 62.4051 62.5879 62.7372 63.1025 63.3864 63.6787 63.8624 63.8839 63.9684 64.2366 64.4738 64.8678 64.9502 65.0153 65.3051 65.6641 65.7931 66.0249 66.0471 66.3883 66.6446 66.8701 67.1473 67.2519 67.3776 67.5777 67.7659 68.0622 68.1596 68.2522 68.4291 68.8464 69.0257 69.0582 69.3349 69.5469 70.0304 70.1216 70.5192 70.6347 71.1291 71.3416 71.5708 71.9032 72.0225 72.2020 72.3415 72.6770 72.8656 73.0005 73.1345 73.1830 73.2019 73.6187 73.7814 73.9260 74.3657 74.4114 74.5775 74.6189 74.8026 74.9811 75.4535 75.5346 75.7596 75.9974 76.1292 76.1374 76.3131 76.4381 76.4958 76.8071 76.9668 77.0337 77.0793 77.3390 77.3862 77.6311 77.7990 77.9301 78.0711 78.1879 78.3558 78.4395 78.5785 78.7613 78.8020 79.0230 79.1313 79.2013 79.2291 79.3004 79.4115 79.5497 79.6420 79.6887 79.7640 79.8261 79.9420 80.0911 80.1844 80.3915 80.4293 80.7206 80.9243 80.9893 81.0183 81.2291 81.3145 81.5359 81.7418 81.7552 81.8831 81.9706 82.0690 82.2473 82.4000 82.4920 82.5734 82.7596 82.7934 83.1814 83.2708 83.4213 83.5554 83.7045 83.7337 83.9077 83.9697 84.1527 84.1647 84.2697 84.3864 84.5145 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