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:-3.5429,1.8002,.4364;1.4142,-5.4133,.2981;2.2024,3.6795,.0468;2.1184,-2.9244,-.3886;-3.7227,.3064,-.7077;-2.7685,-.8296,-.34;-1.7636,2.4086,.2838;-3.8582,1.3081,2.2268;-4.7537,3.1522,-.066;-2.5511,-1.8493,-1.4621;-1.1039,3.0478,1.3405;-1.0267,2.2158,-.8839;-1.4984,-2.8492,-1.0749;.2107,3.4666,1.2393;.2966,2.6215,-1.0098;.9264,3.2528,.0596;-.1727,-2.4331,-.9721;-1.8139,-4.1603,-.7372;.8097,-3.2875,-.5005;-.833,-5.037,-.2914;.463,-4.5885,-.1613;2.9892,3.4599,-1.1167;4.3766,3.9888,-.8533;2.4445,-1.7257,.1888;1.6966,-1.1518,1.2104;3.6072,-1.1161,-.263;2.1214,.0456,1.7697;4.0264,.0728,.3168;3.2856,.6623,1.3324;-4.7594,-.0455,-.7031;-3.5343,.6387,-1.7355;-3.1349,-1.3477,.551;-1.7905,-.4236,-.0632;-4.8444,.8511,2.3385;-3.1222,.5878,2.5899;-3.8289,2.1692,2.898;-4.6421,4.0405,.5596;-4.604,3.4638,-1.102;-5.7891,2.8159,.0277;-3.4892,-2.3576,-1.6977;-2.2442,-1.3179,-2.3679;-1.6205,3.2235,2.2779;-1.4798,1.7257,-1.7388;.6968,3.9557,2.0752;.8139,2.4352,-1.9413;.0937,-1.4177,-1.245;-2.8367,-4.5071,-.8159;-1.0772,-6.058,-.0273;2.5444,3.9735,-1.9759;3.027,2.3914,-1.3535;4.3667,5.0602,-.6498;4.8501,3.4818,-.0116;4.9979,3.823,-1.7336;.7937,-1.6242,1.5759;4.1815,-1.5734,-1.0592;1.5359,.4927,2.5628;4.9366,.5415,-.0353;3.6127,1.5905,1.7816; 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 2913.2760049439 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 6.290e-06 Time for diagonalization 0.435 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.448 sec Total time needed 0.893 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:-3.5429,1.8002,.4364;1.4142,-5.4133,.2981;2.2024,3.6794,.0468;2.1184,-2.9244,-.3886;-3.7227,.3064,-.7077;-2.7685,-.8296,-.34;-1.7636,2.4086,.2838;-3.8582,1.3081,2.2268;-4.7537,3.1522,-.066;-2.5511,-1.8493,-1.4621;-1.1039,3.0478,1.3405;-1.0267,2.2158,-.8839;-1.4984,-2.8492,-1.0749;.2107,3.4666,1.2393;.2966,2.6215,-1.0098;.9264,3.2528,.0596;-.1727,-2.4331,-.9721;-1.8139,-4.1603,-.7372;.8097,-3.2875,-.5005;-.833,-5.037,-.2914;.463,-4.5885,-.1613;2.9892,3.4599,-1.1167;4.3766,3.9888,-.8533;2.4445,-1.7257,.1888;1.6966,-1.1518,1.2104;3.6072,-1.1161,-.263;2.1214,.0456,1.7697;4.0264,.0728,.3168;3.2856,.6623,1.3324;-4.7594,-.0455,-.7031;-3.5343,.6387,-1.7355;-3.1349,-1.3477,.551;-1.7905,-.4236,-.0632;-4.8444,.8511,2.3385;-3.1222,.5878,2.5899;-3.8289,2.1692,2.898;-4.6421,4.0405,.5596;-4.604,3.4638,-1.102;-5.7891,2.8159,.0277;-3.4892,-2.3576,-1.6977;-2.2442,-1.3179,-2.3679;-1.6205,3.2235,2.2779;-1.4798,1.7257,-1.7388;.6968,3.9557,2.0752;.8139,2.4352,-1.9413;.0937,-1.4177,-1.245;-2.8367,-4.5071,-.8159;-1.0772,-6.058,-.0273;2.5444,3.9735,-1.9759;3.027,2.3914,-1.3535;4.3667,5.0602,-.6498;4.8501,3.4818,-.0116;4.9979,3.823,-1.7336;.7937,-1.6242,1.5759;4.1815,-1.5734,-1.0592;1.5359,.4927,2.5628;4.9366,.5415,-.0353;3.6127,1.5905,1.7816; 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:-3.5429,1.8002,.4364;1.4142,-5.4133,.2981;2.2024,3.6795,.0468;2.1184,-2.9244,-.3886;-3.7227,.3064,-.7077;-2.7685,-.8296,-.34;-1.7636,2.4086,.2838;-3.8582,1.3081,2.2268;-4.7537,3.1522,-.066;-2.5511,-1.8493,-1.4621;-1.1039,3.0478,1.3405;-1.0267,2.2158,-.8839;-1.4984,-2.8492,-1.0749;.2107,3.4666,1.2393;.2966,2.6215,-1.0098;.9264,3.2528,.0596;-.1727,-2.4331,-.9721;-1.8139,-4.1603,-.7372;.8097,-3.2875,-.5005;-.833,-5.037,-.2914;.463,-4.5885,-.1613;2.9892,3.4599,-1.1167;4.3766,3.9888,-.8533;2.4445,-1.7257,.1888;1.6966,-1.1518,1.2104;3.6072,-1.1161,-.263;2.1214,.0456,1.7697;4.0264,.0728,.3168;3.2856,.6623,1.3324;-4.7594,-.0455,-.7031;-3.5343,.6387,-1.7355;-3.1349,-1.3477,.551;-1.7905,-.4236,-.0632;-4.8444,.8511,2.3385;-3.1222,.5878,2.5899;-3.8289,2.1692,2.898;-4.6421,4.0405,.5596;-4.604,3.4638,-1.102;-5.7891,2.8159,.0277;-3.4892,-2.3576,-1.6977;-2.2442,-1.3179,-2.3679;-1.6205,3.2235,2.2779;-1.4798,1.7257,-1.7388;.6968,3.9557,2.0752;.8139,2.4352,-1.9413;.0937,-1.4177,-1.245;-2.8367,-4.5071,-.8159;-1.0772,-6.058,-.0273;2.5444,3.9735,-1.9759;3.027,2.3914,-1.3535;4.3667,5.0602,-.6498;4.8501,3.4818,-.0116;4.9979,3.823,-1.7336;.7937,-1.6242,1.5759;4.1815,-1.5734,-1.0592;1.5359,.4927,2.5628;4.9366,.5415,-.0353;3.6127,1.5905,1.7816; 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 3376 GEPOL Volume 2926.7520 GEPOL Surface-area 1650.6351 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1510.07111069 2913.27600494 -4423.34711564 -7856.60012634 3433.25301071 -0.02390282 -3013.97470530 1503.90359461 2.00410100 109.000075362450 109.000075362450 218.000150724900 -135.228633901153 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 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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113.4574 113.7155 113.7494 113.9165 113.9764 114.0709 114.2249 114.3379 114.3872 114.4837 114.6120 114.6885 114.8335 114.8685 114.9704 115.1130 115.2982 115.3796 115.6415 115.7134 115.7787 115.8349 115.9263 116.0459 116.2752 116.5037 116.5249 116.7335 116.8027 116.9814 117.1362 117.2688 117.3823 117.5277 117.8052 118.0525 118.1138 118.1611 118.2345 118.4237 118.5116 118.6051 118.6824 118.7439 118.7865 118.8634 118.9175 119.1113 119.2029 119.2938 119.3426 119.5231 119.5736 119.6793 119.9181 119.9485 120.0117 120.2385 120.3343 120.4505 120.6077 120.7246 120.9456 121.1515 121.2621 121.3808 121.5563 121.7381 121.7804 121.9522 122.1785 122.1917 122.3289 122.4993 122.6611 122.8360 123.1666 123.3148 123.4588 123.7484 123.8285 124.0573 124.3099 124.8833 124.9075 125.2487 125.6807 125.9221 126.1201 126.2130 126.4643 126.7064 126.8396 127.0081 127.0846 127.1910 127.3479 127.3863 127.5020 127.6825 127.9057 128.1582 128.3456 128.4045 128.5941 128.8261 129.1353 129.3495 129.4356 129.6331 130.0068 130.1888 130.4239 130.6695 130.7124 130.9621 131.0377 131.2451 131.3816 131.5111 131.5924 131.8940 132.0204 132.0724 132.1359 132.3909 132.5928 132.8386 133.0112 133.2333 133.4622 133.5490 133.7305 134.2763 134.3791 134.5079 134.6118 135.1951 135.3917 135.5564 135.6596 135.7665 135.9557 136.1330 136.6040 136.7003 136.7878 136.9474 137.4520 137.9142 137.9731 138.0612 138.3395 138.4188 138.5696 138.7066 138.9701 139.0176 139.4217 139.7313 139.7789 139.9556 140.1275 140.4575 140.7643 141.0757 141.2112 141.4737 141.6295 141.8208 141.9832 142.2754 142.7408 143.0502 143.2184 143.3992 143.7225 143.7912 143.9255 144.1021 144.2900 144.5046 144.5688 144.7824 144.8630 144.9199 145.2849 145.7564 146.2847 146.3589 146.7999 147.0091 147.2933 147.3442 147.9950 148.1253 148.1837 148.3356 148.4649 148.5154 148.7064 148.8268 148.8768 149.1773 149.2474 149.4409 149.5503 149.8184 150.2594 150.2947 150.3281 150.4416 150.5794 150.5958 150.8499 151.1312 151.5522 151.7212 151.8259 152.0846 152.5952 152.8015 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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 0.486632 -0.217469 -0.321757 -0.331901 -0.276828 -0.144426 -0.154609 -0.441787 -0.417385 -0.053478 -0.088378 -0.151607 0.019820 -0.297117 -0.238092 0.324852 -0.220536 -0.200874 0.203121 -0.163757 0.182157 0.017795 -0.270273 0.303630 -0.195244 -0.237072 -0.163377 -0.149657 -0.158627 0.094983 0.078134 0.099509 0.064434 0.110648 0.108680 0.105948 0.099559 0.100427 0.100867 0.083214 0.087808 0.133716 0.138844 0.130915 0.135065 0.143297 0.140313 0.147147 0.116977 0.098583 0.093032 0.083119 0.092035 0.153684 0.145345 0.157510 0.157861 0.154590 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 13.5134 9.2175 8.3218 8.3319 6.2768 6.1444 6.1546 6.4418 6.4174 6.0535 6.0884 6.1516 5.9802 6.2971 6.2381 5.6751 6.2205 6.2009 5.7969 6.1638 5.8178 5.9822 6.2703 5.6964 6.1952 6.2371 6.1634 6.1497 6.1586 0.9050 0.9219 0.9005 0.9356 0.8894 0.8913 0.8941 0.9004 0.8996 0.8991 0.9168 0.9122 0.8663 0.8612 0.8691 0.8649 0.8567 0.8597 0.8529 0.8830 0.9014 0.9070 0.9169 0.9080 0.8463 0.8547 0.8425 0.8421 0.8454 14.0000 9.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4866 -0.2175 -0.3218 -0.3319 -0.2768 -0.1444 -0.1546 -0.4418 -0.4174 -0.0535 -0.0884 -0.1516 0.0198 -0.2971 -0.2381 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20 2 15 2 21 3 18 3 23 4 5 4 29 4 30 5 9 5 31 5 32 6 10 6 11 7 33 7 34 7 35 8 36 8 37 8 38 9 12 9 39 9 40 10 13 10 41 11 14 11 42 12 16 12 17 13 15 13 43 14 15 14 44 16 18 16 45 17 19 17 46 18 20 19 20 19 47 21 22 21 48 21 49 22 50 22 51 22 52 23 24 23 25 24 26 24 53 25 27 25 54 26 28 26 55 27 28 27 56 28 57 -0.032302013 -1510.103412704998 -16.16677 15.38306 -0.78371 29.97340 -29.13543 0.83797 -1.63154 0.90698 -0.72457 1.35698 3.44916