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:-2.4778,1.7713,-.7176;2.8616,-1.6446,1.0261;1.2861,1.0504,3.9707;2.3163,-1.898,-1.5727;-2.6281,.0346,-1.4427;-3.1929,-1.0082,-.4669;-1.3343,1.6531,.7749;-4.1584,2.3996,-.1534;-1.7204,2.9086,-2.0116;-2.4859,-2.3685,-.5343;.0582,1.7166,.6455;-1.8297,1.4111,2.0561;-1.0482,-2.2569,-.1113;.9041,1.5312,1.7239;-1.001,1.2207,3.1562;.3807,1.2668,2.9909;-.0345,-2.1839,-1.0602;-.7109,-2.1442,1.2366;1.2825,-1.9624,-.6818;.6051,-1.9562,1.6289;1.5864,-1.8524,.665;.8468,.7928,5.3011;.4555,2.051,6.0458;2.1687,-1.1898,-2.7399;1.4108,-.0281,-2.8253;2.8645,-1.6654,-3.8425;1.3458,.6482,-4.0355;2.8001,-.9707,-5.0415;2.0363,.1839,-5.1471;-3.2212,.0558,-2.3616;-1.6166,-.2391,-1.7623;-4.2565,-1.155,-.6655;-3.1367,-.6618,.5704;-4.0884,3.3813,.3187;-4.8442,2.4893,-.9982;-4.623,1.7227,.5666;-2.3798,3.0065,-2.8766;-1.5392,3.9124,-1.6231;-.7669,2.5205,-2.3785;-3.0084,-3.0737,.1162;-2.5466,-2.7649,-1.5505;.5065,1.9148,-.3219;-2.8999,1.3647,2.2237;1.9783,1.576,1.5905;-1.4536,1.0338,4.1206;-.2777,-2.2876,-2.1111;-1.4838,-2.2017,1.9931;.8686,-1.8709,2.6753;1.6996,.323,5.7905;.0355,.0595,5.3044;1.2805,2.7632,6.0721;-.4119,2.547,5.61;.2049,1.7944,7.0756;.8749,.3555,-1.9662;3.4538,-2.5697,-3.7597;.7522,1.5512,-4.1014;3.3454,-1.3428,-5.8989;1.9817,.7183,-6.0859; 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 3007.0157373887 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 5.074e-06 Time for diagonalization 0.385 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.422 sec Total time needed 0.816 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:-2.4778,1.7713,-.7176;2.8616,-1.6446,1.0261;1.2861,1.0504,3.9707;2.3163,-1.898,-1.5727;-2.6281,.0346,-1.4427;-3.1929,-1.0082,-.4669;-1.3343,1.6531,.7749;-4.1584,2.3996,-.1534;-1.7204,2.9086,-2.0116;-2.4859,-2.3685,-.5343;.0582,1.7166,.6455;-1.8297,1.4111,2.0561;-1.0482,-2.2569,-.1113;.9041,1.5312,1.7239;-1.001,1.2207,3.1562;.3807,1.2668,2.9909;-.0345,-2.1839,-1.0602;-.7109,-2.1442,1.2366;1.2825,-1.9624,-.6818;.6051,-1.9562,1.6289;1.5864,-1.8524,.665;.8468,.7928,5.3011;.4555,2.051,6.0458;2.1687,-1.1898,-2.7399;1.4108,-.0281,-2.8253;2.8645,-1.6654,-3.8425;1.3458,.6482,-4.0355;2.8001,-.9707,-5.0415;2.0363,.1839,-5.1471;-3.2212,.0558,-2.3616;-1.6166,-.2391,-1.7623;-4.2565,-1.155,-.6655;-3.1367,-.6618,.5704;-4.0884,3.3813,.3187;-4.8442,2.4893,-.9982;-4.623,1.7227,.5666;-2.3798,3.0065,-2.8766;-1.5392,3.9124,-1.6231;-.7669,2.5205,-2.3785;-3.0084,-3.0737,.1162;-2.5466,-2.7649,-1.5505;.5065,1.9148,-.3219;-2.8999,1.3647,2.2237;1.9783,1.576,1.5905;-1.4536,1.0338,4.1206;-.2777,-2.2876,-2.1111;-1.4838,-2.2017,1.9931;.8686,-1.8709,2.6753;1.6996,.323,5.7905;.0355,.0595,5.3044;1.2805,2.7632,6.0721;-.4119,2.547,5.61;.2049,1.7944,7.0756;.8749,.3555,-1.9662;3.4538,-2.5697,-3.7597;.7522,1.5512,-4.1014;3.3454,-1.3428,-5.8989;1.9817,.7183,-6.0859; 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" 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:-2.4778,1.7713,-.7176;2.8616,-1.6446,1.0261;1.2861,1.0504,3.9707;2.3163,-1.898,-1.5727;-2.6281,.0346,-1.4427;-3.1929,-1.0082,-.4669;-1.3343,1.6531,.7749;-4.1584,2.3996,-.1534;-1.7204,2.9086,-2.0116;-2.4859,-2.3685,-.5343;.0582,1.7166,.6455;-1.8297,1.4111,2.0561;-1.0482,-2.2569,-.1113;.9041,1.5312,1.7239;-1.001,1.2207,3.1562;.3807,1.2668,2.9909;-.0345,-2.1839,-1.0602;-.7109,-2.1442,1.2366;1.2825,-1.9624,-.6818;.6051,-1.9562,1.6289;1.5864,-1.8524,.665;.8468,.7928,5.3011;.4555,2.051,6.0458;2.1687,-1.1898,-2.7399;1.4108,-.0281,-2.8253;2.8645,-1.6654,-3.8425;1.3458,.6482,-4.0355;2.8001,-.9707,-5.0415;2.0363,.1839,-5.1471;-3.2212,.0558,-2.3616;-1.6166,-.2391,-1.7623;-4.2565,-1.155,-.6655;-3.1367,-.6618,.5704;-4.0884,3.3813,.3187;-4.8442,2.4893,-.9982;-4.623,1.7227,.5666;-2.3798,3.0065,-2.8766;-1.5392,3.9124,-1.6231;-.7669,2.5205,-2.3785;-3.0084,-3.0737,.1162;-2.5466,-2.7649,-1.5505;.5065,1.9148,-.3219;-2.8999,1.3647,2.2237;1.9783,1.576,1.5905;-1.4536,1.0338,4.1206;-.2777,-2.2876,-2.1111;-1.4838,-2.2017,1.9931;.8686,-1.8709,2.6753;1.6996,.323,5.7905;.0355,.0595,5.3044;1.2805,2.7632,6.0721;-.4119,2.547,5.61;.2049,1.7944,7.0756;.8749,.3555,-1.9662;3.4538,-2.5697,-3.7597;.7522,1.5512,-4.1014;3.3454,-1.3428,-5.8989;1.9817,.7183,-6.0859; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 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 3398 GEPOL Volume 2921.2227 GEPOL Surface-area 1627.4986 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05036405 3007.01573739 -4517.06610144 -8044.74777647 3527.68167504 -0.03020846 -3013.95702271 1503.90665867 2.00408516 109.000156785136 109.000156785136 218.000313570271 -135.235612113116 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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15.7113 15.8430 15.9368 16.0116 16.1050 16.1864 16.2004 16.3906 16.4364 16.6602 16.6959 16.7217 16.8920 16.9529 17.1412 17.1669 17.2121 17.4644 17.4791 17.5738 17.6431 17.9277 18.1070 18.1199 18.1838 18.3109 18.4672 18.5174 18.5851 18.8358 19.0254 19.1579 19.2590 19.4153 19.5148 19.6976 19.7879 19.8554 19.9779 20.0634 20.1386 20.2286 20.3774 20.5132 20.5513 20.6248 20.6727 20.7652 20.8622 21.0669 21.1414 21.2520 21.4495 21.5577 21.6439 21.7155 21.7980 21.9851 22.0691 22.1170 22.1853 22.3452 22.5310 22.5533 22.6972 22.7246 22.8729 22.9952 23.2324 23.2653 23.3258 23.3936 23.6574 23.7076 23.8231 23.9013 23.9556 24.1047 24.2775 24.3621 24.4875 24.5748 24.6824 24.8768 25.0315 25.2015 25.2934 25.3599 25.4236 25.5655 25.6617 25.8074 25.9770 26.1840 26.2603 26.4081 26.6112 26.7022 26.7106 26.8261 26.9483 27.2496 27.3241 27.3635 27.4315 27.4928 27.6403 27.7716 27.8853 27.9725 28.1054 28.1864 28.2716 28.5384 28.6149 28.6635 28.8312 28.9035 28.9931 29.2017 29.2249 29.3737 29.5837 29.6940 29.7175 29.8017 29.8680 29.9968 30.0204 30.0966 30.2943 30.4264 30.4795 30.5857 30.6559 30.7820 30.9179 31.1864 31.3181 31.4782 31.5894 31.6534 31.7547 31.8169 32.0894 32.1018 32.2622 32.3726 32.4978 32.7137 32.7512 32.7712 32.8565 32.9696 33.0386 33.2008 33.3293 33.4754 33.5726 33.6382 33.7171 34.0162 34.1068 34.1637 34.2522 34.4733 34.6420 34.7207 34.8370 34.8867 34.9992 35.1639 35.2253 35.2475 35.4001 35.4416 35.6276 35.7483 35.9503 36.0143 36.1505 36.2633 36.3424 36.5698 36.6254 36.6900 36.8000 36.9792 37.0506 37.0978 37.2549 37.4340 37.5284 37.5789 37.7555 37.7739 37.9674 38.0398 38.1740 38.2342 38.3237 38.5590 38.6287 38.8216 38.8743 39.0437 39.1289 39.1792 39.2328 39.3571 39.3938 39.5451 39.6706 39.8008 40.0471 40.0656 40.1818 40.2218 40.4480 40.5300 40.6608 40.7691 40.8066 40.9556 41.0689 41.1751 41.2291 41.3685 41.4406 41.5252 41.6740 41.6911 41.8730 41.9686 42.1045 42.2053 42.4214 42.4311 42.6166 42.6866 42.8320 42.9305 43.0277 43.0919 43.1490 43.3734 43.5019 43.5424 43.5905 43.8201 43.8859 43.9364 44.0979 44.2396 44.3917 44.4401 44.5588 44.6689 44.8505 44.9333 45.0855 45.1888 45.2683 45.2933 45.4497 45.5580 45.6988 45.8390 45.9329 46.2020 46.3104 46.5648 46.6568 46.7249 46.8343 46.9585 47.1019 47.1606 47.2666 47.3739 47.5145 47.6875 47.7699 47.8729 47.9912 48.2439 48.2729 48.4598 48.6779 48.8064 48.9142 48.9920 49.2324 49.4604 49.6810 49.7550 49.8579 49.9387 49.9914 50.1723 50.2140 50.4604 50.5801 50.8012 50.9234 51.0273 51.3723 51.4956 51.5977 52.0491 52.1563 52.1822 52.3449 52.4611 52.5553 52.7205 53.0072 53.0986 53.1111 53.2655 53.3881 53.6209 53.9387 54.2033 54.3619 54.6824 54.7732 55.1071 55.1929 55.4689 55.6241 55.6458 55.9490 56.3999 56.6734 56.6993 56.8265 57.0684 57.1119 57.2471 57.4489 57.5526 57.6315 58.1187 58.2122 58.4341 58.6283 59.0201 59.3632 59.3975 59.5401 59.7171 59.7725 60.0321 60.0788 60.4487 60.4824 60.6377 60.7153 60.9750 61.2493 61.5917 61.7706 61.9506 62.1303 62.4941 62.6668 62.9791 63.2466 63.3926 63.5269 63.9416 64.0247 64.1120 64.3546 64.6288 64.7471 64.9566 65.1394 65.4948 65.5905 65.7765 66.0600 66.1224 66.3963 66.6100 66.9990 67.1339 67.4476 67.6160 67.6285 67.7674 67.9142 68.1087 68.2385 68.5656 68.6787 68.8605 69.2623 69.4166 69.7292 69.7813 70.2268 70.4121 70.6589 70.8818 71.0322 71.5772 71.6948 71.9176 72.1087 72.3787 72.4883 72.8626 72.8895 73.1573 73.3265 73.5494 73.7472 73.9599 74.2020 74.3172 74.4622 74.5901 74.6430 74.9227 75.0228 75.1701 75.3204 75.4200 75.5631 75.9673 76.1654 76.3788 76.5267 76.5983 76.7532 76.7924 77.1381 77.2287 77.5768 77.7166 77.7977 77.8600 77.9636 78.1487 78.2837 78.3072 78.6438 78.7136 78.7320 78.8481 78.9845 79.0587 79.2106 79.3228 79.3926 79.4170 79.6569 79.7712 79.8224 79.9259 79.9849 80.0289 80.1790 80.3126 80.4292 80.5715 80.6307 80.6908 80.8271 80.9988 81.1818 81.3148 81.4298 81.5754 81.7086 81.9230 82.0247 82.1862 82.2148 82.3986 82.6383 82.6644 82.8157 82.8629 83.0303 83.3311 83.3858 83.5096 83.6055 83.6354 83.6990 83.8835 84.0337 84.1467 84.3491 84.4052 84.4833 84.6860 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