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:-3.9758,1.4308,.8897;2.0532,-3.88,-1.4987;2.0222,2.2348,.7879;1.7658,-1.1838,-1.7798;-4.279,-.3885,1.3657;-3.1634,-1.3661,.9997;-2.1213,1.7479,.8215;-4.7562,2.5219,2.2128;-4.7488,1.8456,-.777;-2.9382,-1.5034,-.5083;-1.3027,1.4355,1.9149;-1.4843,2.2583,-.3072;-1.6259,-2.1633,-.8161;.0674,1.61,1.8787;-.1072,2.4517,-.3663;.6827,2.1202,.7318;-.5197,-1.3806,-1.138;-1.4611,-3.5418,-.723;.7142,-1.957,-1.3781;-.2241,-4.132,-.9463;.8511,-3.3333,-1.2713;2.7495,2.7323,-.3284;2.7261,4.2435,-.417;2.8154,-.9868,-.9256;4.0142,-.5916,-1.5073;2.7088,-1.1281,.4512;5.1129,-.3382,-.7021;3.8198,-.8689,1.244;5.0239,-.4771,.6776;-4.445,-.4272,2.4475;-5.226,-.7113,.9174;-3.3787,-2.3564,1.4135;-2.2304,-1.0459,1.4697;-4.6553,3.5823,1.972;-5.8233,2.3124,2.3215;-4.2952,2.3637,3.1903;-5.8253,1.6592,-.7508;-4.6148,2.898,-1.0372;-4.3425,1.2496,-1.5964;-3.7644,-2.0662,-.9511;-2.9494,-.5193,-.9825;-1.7386,1.0364,2.8251;-2.0635,2.5197,-1.1858;.6758,1.3505,2.737;.3221,2.8532,-1.2744;-.6169,-.3032,-1.2145;-2.3073,-4.1716,-.4767;-.0974,-5.205,-.8774;2.399,2.2724,-1.2572;3.7719,2.3882,-.1708;3.3567,4.5652,-1.247;1.726,4.6421,-.5896;3.1204,4.6953,.4939;4.0813,-.486,-2.5831;1.7749,-1.4215,.9145;6.0459,-.0344,-1.1594;3.7352,-.9756,2.3178;5.8844,-.2808,1.3034; 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 2987.9609331324 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 5.320e-06 Time for diagonalization 0.473 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.492 sec Total time needed 0.979 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:-3.9758,1.4308,.8897;2.0532,-3.88,-1.4987;2.0222,2.2348,.7879;1.7658,-1.1838,-1.7798;-4.279,-.3885,1.3657;-3.1634,-1.3661,.9997;-2.1213,1.7479,.8215;-4.7562,2.5219,2.2128;-4.7488,1.8456,-.777;-2.9382,-1.5034,-.5083;-1.3027,1.4355,1.9149;-1.4843,2.2583,-.3072;-1.6259,-2.1633,-.8161;.0674,1.61,1.8787;-.1072,2.4517,-.3663;.6827,2.1202,.7318;-.5197,-1.3806,-1.138;-1.4611,-3.5418,-.723;.7142,-1.957,-1.3781;-.2241,-4.132,-.9463;.8511,-3.3333,-1.2713;2.7495,2.7323,-.3284;2.7261,4.2435,-.417;2.8154,-.9868,-.9256;4.0142,-.5916,-1.5073;2.7088,-1.1281,.4512;5.1129,-.3382,-.7021;3.8198,-.8689,1.244;5.0239,-.4771,.6776;-4.445,-.4272,2.4475;-5.226,-.7113,.9174;-3.3787,-2.3564,1.4135;-2.2304,-1.0459,1.4697;-4.6553,3.5823,1.972;-5.8234,2.3124,2.3215;-4.2952,2.3637,3.1903;-5.8253,1.6592,-.7508;-4.6148,2.898,-1.0372;-4.3425,1.2496,-1.5964;-3.7644,-2.0662,-.9511;-2.9494,-.5193,-.9825;-1.7386,1.0364,2.8251;-2.0635,2.5197,-1.1858;.6758,1.3505,2.737;.3221,2.8532,-1.2744;-.6169,-.3032,-1.2145;-2.3073,-4.1716,-.4767;-.0974,-5.205,-.8774;2.399,2.2724,-1.2572;3.7719,2.3882,-.1708;3.3567,4.5652,-1.247;1.726,4.6421,-.5896;3.1204,4.6953,.4939;4.0813,-.486,-2.5831;1.7749,-1.4215,.9145;6.0459,-.0344,-1.1594;3.7352,-.9756,2.3178;5.8844,-.2808,1.3034; 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:-3.9758,1.4308,.8897;2.0532,-3.88,-1.4987;2.0222,2.2348,.7879;1.7658,-1.1838,-1.7798;-4.279,-.3885,1.3657;-3.1634,-1.3661,.9997;-2.1213,1.7479,.8215;-4.7562,2.5219,2.2128;-4.7488,1.8456,-.777;-2.9382,-1.5034,-.5083;-1.3027,1.4355,1.9149;-1.4843,2.2583,-.3072;-1.6259,-2.1633,-.8161;.0674,1.61,1.8787;-.1072,2.4517,-.3663;.6827,2.1202,.7318;-.5197,-1.3806,-1.138;-1.4611,-3.5418,-.723;.7142,-1.957,-1.3781;-.2241,-4.132,-.9463;.8511,-3.3333,-1.2713;2.7495,2.7323,-.3284;2.7261,4.2435,-.417;2.8154,-.9868,-.9256;4.0142,-.5916,-1.5073;2.7088,-1.1281,.4512;5.1129,-.3382,-.7021;3.8198,-.8689,1.244;5.0239,-.4771,.6776;-4.445,-.4272,2.4475;-5.226,-.7113,.9174;-3.3787,-2.3564,1.4135;-2.2304,-1.0459,1.4697;-4.6553,3.5823,1.972;-5.8233,2.3124,2.3215;-4.2952,2.3637,3.1903;-5.8253,1.6592,-.7508;-4.6148,2.898,-1.0372;-4.3425,1.2496,-1.5964;-3.7644,-2.0662,-.9511;-2.9494,-.5193,-.9825;-1.7386,1.0364,2.8251;-2.0635,2.5197,-1.1858;.6758,1.3505,2.737;.3221,2.8532,-1.2744;-.6169,-.3032,-1.2145;-2.3073,-4.1716,-.4767;-.0974,-5.205,-.8774;2.399,2.2724,-1.2572;3.7719,2.3882,-.1708;3.3567,4.5652,-1.247;1.726,4.6421,-.5896;3.1204,4.6953,.4939;4.0813,-.486,-2.5831;1.7749,-1.4215,.9145;6.0459,-.0344,-1.1594;3.7352,-.9756,2.3178;5.8844,-.2808,1.3034; 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 3375 GEPOL Volume 2931.1556 GEPOL Surface-area 1630.5007 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.06727384 2987.96093313 -4498.02820697 -8006.62331850 3508.59511153 -0.02299982 -3013.98517450 1503.91790066 2.00408890 109.000131389914 109.000131389914 218.000262779827 -135.233315100075 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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15.6004 15.6903 15.8052 15.8293 15.8740 16.0395 16.0865 16.2492 16.3458 16.4625 16.5564 16.6609 16.6807 16.8159 16.9820 17.0125 17.2393 17.3663 17.3931 17.5231 17.5906 17.6343 17.9320 18.0338 18.1672 18.2010 18.2907 18.5136 18.5661 18.5926 18.7303 18.7571 18.9635 19.0886 19.3324 19.4234 19.4559 19.5727 19.7204 19.8412 19.8582 19.9942 20.0564 20.2138 20.3893 20.4983 20.5119 20.7050 20.8642 21.0517 21.2169 21.2433 21.3580 21.4393 21.5319 21.6535 21.7816 21.8329 21.9622 22.0513 22.2108 22.3789 22.4904 22.5620 22.5932 22.7270 22.7630 22.9038 22.9383 23.0843 23.2379 23.4252 23.4869 23.6294 23.7486 23.9446 24.0399 24.0868 24.1289 24.3346 24.4666 24.6641 24.7299 24.9449 25.0067 25.0779 25.1576 25.2704 25.5138 25.5751 25.6949 25.7479 25.8712 25.9351 26.1110 26.2315 26.2970 26.4650 26.5213 26.5556 26.7743 26.9596 26.9908 27.1217 27.3224 27.4023 27.4829 27.5441 27.7415 27.7710 27.8448 28.0128 28.1305 28.3504 28.5213 28.5573 28.6861 28.7959 28.9015 29.1241 29.2124 29.3560 29.4370 29.4807 29.5561 29.8262 29.8594 29.9724 30.1012 30.2914 30.4251 30.4877 30.6293 30.7562 30.8251 31.0828 31.1135 31.2267 31.2902 31.3501 31.4425 31.5841 31.8017 31.8144 31.9981 32.0816 32.2504 32.3784 32.4439 32.4915 32.6678 32.8479 32.8822 32.9339 32.9714 33.1189 33.1929 33.4580 33.5097 33.6469 33.7995 33.9291 33.9609 34.2332 34.2512 34.3274 34.4159 34.5892 34.7526 34.7887 34.9117 35.0364 35.1694 35.2495 35.3493 35.4883 35.5636 35.7947 35.8295 35.9824 36.0459 36.1326 36.2994 36.5921 36.6149 36.8001 36.9120 36.9667 37.1507 37.2629 37.3489 37.4028 37.5305 37.6591 37.7641 37.9210 38.0121 38.2008 38.2909 38.3386 38.4417 38.5446 38.6502 38.7441 38.8917 39.0764 39.1625 39.2364 39.2888 39.4331 39.4950 39.5298 39.6558 39.6809 39.7983 40.0076 40.1948 40.2299 40.3155 40.3639 40.4307 40.6099 40.6859 40.9085 40.9385 41.0951 41.2518 41.2945 41.4761 41.5365 41.6688 41.7522 41.9185 42.0082 42.1676 42.2231 42.3755 42.4413 42.6187 42.7199 42.7885 42.8337 42.9851 43.0395 43.2415 43.2848 43.3481 43.5038 43.6070 43.6255 43.7386 43.7881 43.8584 43.9932 44.1755 44.2895 44.4970 44.5587 44.7663 44.8135 44.8867 45.2183 45.3010 45.3436 45.3854 45.4855 45.5298 45.6337 45.7228 45.9403 46.0978 46.3397 46.3878 46.4817 46.6118 46.6315 46.7284 46.7651 46.8966 47.1368 47.2106 47.3451 47.5325 47.5896 47.8596 47.9403 47.9842 48.1757 48.2213 48.4355 48.5714 48.6330 48.9027 48.9784 49.1435 49.2006 49.2912 49.4336 49.6051 49.7734 50.0155 50.0820 50.2663 50.4125 50.5656 50.5969 50.9053 51.2533 51.3970 51.6125 51.7707 51.8792 52.0096 52.1943 52.3959 52.4967 52.8150 52.9919 53.0551 53.1714 53.4232 53.4700 53.8810 54.0647 54.1197 54.2794 54.5513 54.9695 55.1201 55.1688 55.3234 55.6957 55.8494 56.0027 56.3154 56.5233 56.7109 56.9023 57.1883 57.3346 57.5878 57.7209 57.7301 57.8165 58.0026 58.1689 58.3521 58.4290 58.6293 58.8993 59.3423 59.8022 59.9476 60.0984 60.2883 60.3666 60.4632 60.8341 60.8880 61.2404 61.4817 61.6062 61.7920 62.0550 62.2716 62.6243 62.7695 62.9105 63.0567 63.4082 63.5607 63.9138 64.0281 64.1403 64.5135 64.5975 64.7626 64.9604 65.0427 65.2507 65.3702 65.4964 65.6440 65.8437 66.0963 66.2572 66.5232 66.7869 67.1973 67.4327 67.5576 67.6504 68.0170 68.0868 68.1588 68.4924 68.7075 68.8252 68.9678 69.1723 69.4526 69.6510 69.7962 70.3180 70.5619 70.9640 71.0601 71.3721 71.4506 71.7640 72.1518 72.5718 72.6105 72.8937 72.9799 73.0919 73.2730 73.3544 73.7590 73.9435 74.2710 74.3651 74.4199 74.6516 74.8079 74.8789 75.1345 75.1717 75.3044 75.5922 75.6954 75.8355 76.1092 76.3720 76.4757 76.5772 76.5878 76.7775 76.9940 77.0693 77.2341 77.4307 77.6040 77.8251 77.8939 78.1853 78.2846 78.3087 78.5486 78.6663 78.7758 78.9142 78.9194 79.1057 79.2325 79.4234 79.4770 79.5363 79.5696 79.6458 79.8334 79.9013 79.9976 80.2604 80.3313 80.3540 80.4821 80.5563 80.6998 80.7218 80.8588 80.9865 81.2238 81.2987 81.3809 81.5288 81.6716 81.7805 81.9687 82.0338 82.0701 82.2270 82.5686 82.7718 82.7918 82.8754 83.1069 83.1975 83.3393 83.4249 83.4806 83.6239 83.8899 83.9112 84.0231 84.0585 84.1560 84.2254 84.4821 84.5549 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