Orca 5.0.2 RELEASE 1 2 3 4 5 17s13p8d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 6s5p4d1f 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 Br F F 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 C 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 2 3 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:2.163,-3.2166,.9943;2.2775,-.5341,1.1896;3.5261,-1.3433,-.3582;-4.3614,1.0292,-.8384;1.4353,-1.19,-.7598;.721,2.0433,-1.0628;-4.2565,-1.3537,-.4656;-4.7117,.0087,.069;-2.7348,-1.3575,-.5383;-4.9097,-1.6168,-1.8224;-4.7438,-2.4279,.5136;-1.9811,-1.2486,.63;-2.035,-1.4227,-1.7394;-4.0337,2.2675,-.2444;-.5963,-1.1916,.6209;-.6491,-1.3847,-1.7743;.0632,-1.2666,-.5956;-2.6282,2.2712,.2982;-1.5578,2.2076,-.5892;-2.3766,2.2876,1.6649;-.2562,2.1554,-.116;-1.0701,2.2245,2.132;-.0023,2.1475,1.2526;2.3239,-1.4326,.1978;1.9826,2.5311,-.8714;3.0139,1.8298,-1.4838;2.2485,3.7014,-.1694;4.3185,2.2854,-1.3674;3.5607,4.1389,-.0524;4.6016,3.434,-.6407;-5.8012,-.0025,.216;-4.264,.1794,1.0557;-5.9963,-1.6001,-1.7179;-4.6457,-.8763,-2.5772;-4.6361,-2.5995,-2.2112;-4.4056,-3.4179,.2043;-5.835,-2.4477,.5482;-4.3903,-2.2606,1.5318;-2.4731,-1.183,1.5921;-2.5593,-1.5071,-2.681;-4.1328,3.0196,-1.0306;-4.7457,2.5346,.5459;-.082,-1.0731,1.563;-.1256,-1.4388,-2.7205;-1.7337,2.1978,-1.6592;-3.2003,2.3452,2.3661;-.8768,2.2225,3.1971;1.0066,2.0826,1.6374;2.7926,.9394,-2.0577;1.4504,4.2747,.2846;5.1172,1.7312,-1.8438;3.7649,5.0464,.5015;5.6216,3.7814,-.5415; 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 1732 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1269 ENuc 3667.5245229050 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 4.761e-06 Time for diagonalization 0.699 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.535 sec Total time needed 1.250 sec 35 9 9 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:2.163,-3.2166,.9943;2.2775,-.5341,1.1896;3.5261,-1.3433,-.3582;-4.3614,1.0292,-.8384;1.4353,-1.19,-.7598;.721,2.0433,-1.0628;-4.2565,-1.3537,-.4656;-4.7117,.0087,.069;-2.7348,-1.3575,-.5383;-4.9097,-1.6168,-1.8224;-4.7438,-2.4279,.5136;-1.9811,-1.2486,.63;-2.035,-1.4227,-1.7394;-4.0337,2.2675,-.2444;-.5963,-1.1916,.6209;-.6491,-1.3847,-1.7743;.0632,-1.2666,-.5956;-2.6282,2.2712,.2982;-1.5578,2.2076,-.5892;-2.3766,2.2876,1.6649;-.2562,2.1554,-.116;-1.0701,2.2245,2.132;-.0023,2.1475,1.2526;2.3239,-1.4326,.1978;1.9826,2.5311,-.8714;3.0139,1.8298,-1.4838;2.2485,3.7014,-.1694;4.3185,2.2854,-1.3674;3.5607,4.1389,-.0524;4.6016,3.434,-.6407;-5.8012,-.0025,.216;-4.264,.1794,1.0557;-5.9963,-1.6001,-1.7179;-4.6457,-.8763,-2.5772;-4.6361,-2.5995,-2.2112;-4.4056,-3.4179,.2043;-5.835,-2.4477,.5482;-4.3903,-2.2606,1.5318;-2.4731,-1.183,1.5921;-2.5593,-1.5071,-2.681;-4.1328,3.0196,-1.0306;-4.7457,2.5346,.5459;-.082,-1.0731,1.563;-.1256,-1.4388,-2.7205;-1.7337,2.1978,-1.6592;-3.2003,2.3452,2.3661;-.8768,2.2225,3.1971;1.0066,2.0826,1.6374;2.7926,.9394,-2.0577;1.4504,4.2747,.2846;5.1172,1.7312,-1.8438;3.7649,5.0464,.5015;5.6216,3.7814,-.5415; 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" 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:2.163,-3.2166,.9943;2.2775,-.5341,1.1896;3.5261,-1.3433,-.3582;-4.3614,1.0292,-.8384;1.4353,-1.19,-.7598;.721,2.0433,-1.0628;-4.2565,-1.3537,-.4656;-4.7117,.0087,.069;-2.7348,-1.3575,-.5383;-4.9097,-1.6168,-1.8224;-4.7438,-2.4279,.5136;-1.9811,-1.2486,.63;-2.035,-1.4227,-1.7394;-4.0337,2.2675,-.2444;-.5963,-1.1916,.6209;-.6491,-1.3847,-1.7743;.0632,-1.2666,-.5956;-2.6282,2.2712,.2982;-1.5578,2.2076,-.5892;-2.3766,2.2876,1.6649;-.2562,2.1554,-.116;-1.0701,2.2245,2.132;-.0023,2.1475,1.2526;2.3239,-1.4326,.1978;1.9826,2.5311,-.8714;3.0139,1.8298,-1.4838;2.2485,3.7014,-.1694;4.3185,2.2854,-1.3674;3.5607,4.1389,-.0524;4.6016,3.434,-.6407;-5.8012,-.0025,.216;-4.264,.1794,1.0557;-5.9963,-1.6001,-1.7179;-4.6457,-.8763,-2.5772;-4.6361,-2.5995,-2.2112;-4.4056,-3.4179,.2043;-5.835,-2.4477,.5482;-4.3903,-2.2606,1.5318;-2.4731,-1.183,1.5921;-2.5593,-1.5071,-2.681;-4.1328,3.0196,-1.0306;-4.7457,2.5346,.5459;-.082,-1.0731,1.563;-.1256,-1.4388,-2.7205;-1.7337,2.1978,-1.6592;-3.2003,2.3452,2.3661;-.8768,2.2225,3.1971;1.0066,2.0826,1.6374;2.7926,.9394,-2.0577;1.4504,4.2747,.2846;5.1172,1.7312,-1.8438;3.7649,5.0464,.5015;5.6216,3.7814,-.5415; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br F O C H 3.0600 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 2997 GEPOL Volume 3255.7637 GEPOL Surface-area 1679.6664 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -3928.11311923 3667.52452290 -7595.63764213 -12733.02027652 5137.38263438 -0.02336545 -7846.90019215 3918.78707292 2.00237983 121.999896274849 121.999896274849 243.999792549699 -198.385640958287 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 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 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 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -13141.5599 -1704.1084 -1535.4434 -1535.3633 -1535.3601 -675.7697 -675.7173 -525.4600 -524.6057 -523.4655 -287.3982 -281.8032 -281.5364 -281.5279 -280.8510 -280.6561 -280.0678 -279.9461 -279.9406 -279.9265 -279.8321 -279.7969 -279.7934 -279.7782 -279.7734 -279.7555 -279.7318 -279.7214 -279.6648 -279.6433 -279.5997 -279.5924 -279.1512 -279.0550 -240.1380 -180.9844 -180.6702 -180.6681 -75.1799 -75.0935 -75.0914 -74.8323 -74.8321 -39.0842 -37.0504 -33.7975 -32.9290 -31.5140 -27.0635 -26.9185 -26.5114 -25.7309 -25.3024 -24.3204 -24.0793 -23.9073 -23.7401 -23.6259 -22.9362 -22.2449 -21.9904 -21.7364 -20.7337 -20.4759 -20.4275 -19.9909 -19.7160 -19.3659 -19.2308 -18.7042 -18.6044 -18.3264 -18.0591 -17.6258 -16.7286 -16.6304 -16.4048 -16.0759 -16.0327 -15.9879 -15.9257 -15.6364 -15.5035 -15.4133 -15.2586 -15.0222 -14.9896 -14.7754 -14.7260 -14.3826 -14.3161 -14.2468 -14.1503 -13.9773 -13.6933 -13.6242 -13.5730 -13.3362 -13.0789 -13.0598 -12.8550 -12.7298 -12.6299 -12.4021 -12.3427 -12.1956 -12.1900 -11.8813 -11.6525 -11.5775 -11.5527 -11.4136 -10.9785 -10.9321 -10.8970 -9.8060 -9.4896 -9.4261 -9.3593 -9.2425 -8.7865 -8.3063 1.1811 1.3346 1.5737 1.5812 1.7704 2.0409 2.2455 3.2890 3.7414 3.8329 3.9624 4.0853 4.2810 4.3478 4.4204 4.4902 4.7690 4.7831 4.8774 4.9806 5.1063 5.2252 5.2400 5.4547 5.5275 5.5686 5.7190 5.8104 5.9432 6.0198 6.0421 6.2009 6.3007 6.3324 6.4294 6.6055 6.7058 6.7441 6.8337 6.9717 7.0377 7.0932 7.2320 7.3666 7.5407 7.6647 7.6655 7.8452 7.8938 7.9256 7.9676 8.1183 8.2483 8.3022 8.3542 8.4323 8.5956 8.6238 8.6661 8.7771 8.9546 9.0419 9.0741 9.2595 9.3483 9.4236 9.4746 9.5769 9.6217 9.7397 9.8736 9.9808 10.0130 10.0815 10.1401 10.2672 10.3678 10.6078 10.7881 10.8607 10.8901 10.9893 11.1383 11.1876 11.2545 11.3890 11.4211 11.4963 11.5294 11.6967 11.7687 11.8756 11.9324 12.1311 12.2380 12.3279 12.3625 12.4867 12.5324 12.6641 12.6749 12.7301 12.9754 13.0998 13.1681 13.2113 13.3256 13.4309 13.4786 13.5782 13.6133 13.7336 13.8667 13.9160 13.9745 13.9875 14.1542 14.1943 14.2066 14.3268 14.5481 14.6296 14.6688 14.7194 14.8372 14.8563 14.9228 15.0334 15.0877 15.2041 15.2603 15.4044 15.4283 15.5439 15.6037 15.7849 15.8358 15.8954 15.9430 16.0880 16.1196 16.2134 16.3466 16.4554 16.5595 16.6696 16.7207 17.0529 17.1112 17.1684 17.3203 17.5278 17.6021 17.7407 17.8886 18.0540 18.1493 18.3134 18.4265 18.5937 18.6132 18.9404 18.9682 19.0543 19.2150 19.3563 19.5100 19.6350 19.7522 19.9571 20.1012 20.2129 20.2744 20.3537 20.5227 20.5687 20.6801 20.7780 21.0709 21.1582 21.2195 21.3131 21.4032 21.4555 21.6822 21.7291 21.9399 21.9896 22.0551 22.1171 22.2782 22.4181 22.4839 22.7113 22.8062 22.9355 23.0449 23.1683 23.2247 23.3226 23.5243 23.6029 23.7650 23.8865 23.9978 24.1487 24.1924 24.3956 24.4526 24.5873 24.6682 24.9636 25.0956 25.1705 25.1979 25.4151 25.4759 25.6755 25.6998 25.7858 26.0081 26.0337 26.1782 26.2722 26.3167 26.3557 26.7061 26.8639 27.0013 27.0770 27.1919 27.2761 27.3414 27.5211 27.5840 27.7569 27.9499 28.1436 28.3209 28.3297 28.5194 28.6531 28.7451 28.9075 29.0359 29.3711 29.4230 29.4883 29.6126 29.7181 29.8387 29.9867 30.0199 30.1212 30.2542 30.4438 30.5642 30.6497 30.6727 30.8722 31.0121 31.0674 31.2438 31.3729 31.5458 31.6924 31.9056 31.9624 32.0281 32.1160 32.1917 32.4052 32.5334 32.5888 32.7938 32.8812 32.9366 33.0227 33.1925 33.4744 33.6019 33.6683 33.7736 33.9159 34.0072 34.1756 34.2082 34.3109 34.4988 34.6419 34.7227 34.8807 34.9366 35.0815 35.3325 35.4042 35.5090 35.5371 35.8362 35.9159 36.3012 36.3316 36.3785 36.5219 36.6055 36.7612 36.8912 36.9538 37.0852 37.3000 37.3992 37.5237 37.6652 37.7761 37.9507 38.1334 38.2372 38.2925 38.3826 38.5006 38.6203 38.8070 38.8480 38.9883 39.0999 39.1694 39.2417 39.3890 39.5207 39.6574 39.7646 39.8791 39.9776 40.0106 40.1142 40.2534 40.3284 40.4304 40.5455 40.6991 40.9151 41.0917 41.1414 41.4152 41.4413 41.6134 41.7621 41.8368 41.8820 41.9875 42.0147 42.2944 42.3281 42.4157 42.6071 42.7742 42.8399 42.9597 43.0338 43.0915 43.4719 43.5161 43.6022 43.7699 43.9165 43.9512 44.1748 44.2606 44.3499 44.4415 44.6075 44.6967 44.7262 44.9692 45.0224 45.1178 45.2301 45.3050 45.3680 45.5848 45.6306 45.8846 45.9078 46.0946 46.1617 46.2507 46.2818 46.4782 46.6071 46.7149 46.7625 46.9917 47.1017 47.2041 47.4181 47.6837 47.7540 47.8210 47.9389 48.0347 48.0907 48.2726 48.3805 48.5170 48.5836 48.7935 48.9650 49.1828 49.2869 49.4372 49.5539 49.6898 49.8031 49.8965 50.0447 50.1817 50.4482 50.6225 50.7650 50.8164 50.9952 51.2739 51.3539 51.4868 51.7296 51.9350 52.0114 52.2859 52.3963 52.6528 52.9070 52.9735 53.1868 53.4719 53.5513 53.8100 54.2326 54.4176 54.4621 54.7102 54.9021 55.2877 55.3843 55.5090 55.6213 55.8077 56.2360 56.2933 56.3495 56.6160 56.7508 56.8703 57.0442 57.2913 57.4236 57.4635 57.7035 58.0018 58.1014 58.2584 58.5710 58.6159 58.8698 59.1744 59.2851 59.6101 59.8224 59.9012 60.1767 60.3568 60.6289 60.8981 61.0428 61.1319 61.5504 61.6074 61.8752 62.1166 62.2220 62.6924 62.8759 63.1072 63.3937 63.4580 63.6292 63.9662 64.1662 64.2944 64.4090 64.6478 64.8770 65.0420 65.2336 65.4412 65.6263 65.7276 65.8296 66.2293 66.3425 66.4135 66.6630 66.7699 66.8426 66.9804 67.1545 67.3593 67.5423 67.8441 68.0038 68.1908 68.3668 68.6570 68.8272 69.0870 69.3226 69.4163 69.5699 69.8528 69.9603 70.1917 70.5975 70.9776 71.3443 71.6160 71.8943 72.1292 72.4633 72.6319 72.9206 73.4823 73.5581 73.6602 73.9817 74.1846 74.4497 74.6264 74.7093 74.9214 75.1664 75.3507 75.5220 75.7562 75.9750 76.0138 76.2346 76.4191 76.4529 76.6535 76.7696 76.9757 76.9943 77.1322 77.4381 77.4627 77.5301 77.7195 78.0810 78.0917 78.1468 78.4010 78.4385 78.5201 78.6008 78.6330 78.7986 78.8702 79.0601 79.3861 79.5350 79.6401 79.7542 79.8008 80.0838 80.0932 80.1971 80.2962 80.4886 80.5324 80.6665 80.8980 80.9978 81.1718 81.5512 81.7875 81.8676 81.9518 82.2714 82.4087 82.4477 82.5939 82.8425 82.9435 83.0271 83.1336 83.3353 83.5286 83.6480 83.7190 84.0152 84.1012 84.1346 84.3282 84.5350 84.5680 84.6538 85.0312 85.1078 85.1752 85.3952 85.4170 85.4867 85.5594 85.6525 85.8014 85.8516 85.9282 86.0662 86.0916 86.2231 86.4220 86.4833 86.5695 86.6032 86.7984 86.8321 86.9531 87.0096 87.2141 87.3546 87.5138 87.6245 87.7031 87.8369 87.9673 88.0388 88.1525 88.3604 88.4361 88.4909 88.5424 88.7105 88.7995 88.9113 89.1832 89.2139 89.3869 89.4574 89.5359 89.6442 89.7248 89.8079 89.8519 89.9370 90.1718 90.2734 90.4368 90.5132 90.6760 90.8471 90.9163 91.0337 91.2424 91.3768 91.4404 91.5334 91.5826 91.8385 91.9650 92.1869 92.2902 92.3985 92.4843 92.6165 92.7088 92.8084 92.9376 93.0473 93.1376 93.1796 93.3409 93.4296 93.5850 93.6762 93.7701 93.8057 93.9794 94.0255 94.2712 94.3474 94.4445 94.5367 94.6293 94.8268 94.9038 95.0459 95.1128 95.2783 95.3679 95.4273 95.7575 95.8463 95.9303 95.9383 96.0818 96.2485 96.3342 96.4703 96.6336 96.6509 96.8463 96.9781 97.0566 97.1562 97.2184 97.4286 97.4307 97.5901 97.6207 97.8995 98.0935 98.1546 98.2249 98.3912 98.4631 98.6128 98.7092 98.7945 98.9819 99.1815 99.2304 99.3188 99.3993 99.6185 99.6724 99.8045 99.9780 100.1635 100.3008 100.5893 100.7072 100.9579 100.9803 101.2476 101.4570 101.5545 101.7649 101.9413 102.1614 102.2603 102.5901 102.6310 102.8867 103.0049 103.1908 103.3046 103.4929 103.6039 103.7215 103.8960 104.2122 104.2404 104.4387 104.5152 104.7132 104.7917 104.9999 105.1115 105.4033 105.4309 105.5594 105.5953 105.7057 105.7533 105.8600 105.9893 106.1097 106.2522 106.3328 106.4326 106.5381 106.6074 106.7200 106.9802 107.1044 107.1352 107.2332 107.4846 107.5529 107.6329 107.7315 107.8654 107.8927 108.0919 108.1149 108.3245 108.5562 108.7156 108.7597 109.0809 109.2213 109.3630 109.4550 109.6285 109.8248 110.0827 110.1617 110.3732 110.7020 110.8518 111.0059 111.0941 111.2971 111.3854 111.4379 111.6263 111.7878 111.9194 112.1099 112.2979 112.6073 112.7224 112.8193 113.1365 113.2411 113.3390 113.5601 113.7400 113.7784 114.1138 114.2681 114.4029 114.4846 114.5823 114.8242 114.9073 115.0328 115.0824 115.1871 115.5944 115.6496 115.8254 115.9513 116.2087 116.2465 116.3470 116.6961 116.7365 116.8228 116.9488 117.0107 117.2383 117.3082 117.3963 117.6060 117.6933 117.8314 117.9551 118.0734 118.1766 118.3460 118.4083 118.4484 118.6122 118.7125 118.7717 118.8466 118.9708 119.0420 119.1359 119.3400 119.4376 119.5264 119.6337 119.8119 119.8454 120.0434 120.1575 120.2509 120.3444 120.5080 120.6408 120.7544 120.9740 121.1013 121.3301 121.4098 121.6304 121.9658 122.0659 122.2506 122.3586 122.4232 122.6025 122.7971 122.9332 123.0199 123.2961 123.8063 123.9481 124.0972 124.3069 124.6697 124.8123 125.1217 125.2797 125.6632 125.8680 126.1907 126.3422 126.5653 126.6127 126.9926 127.1876 127.6388 127.8875 128.2134 128.4911 128.5973 128.7634 129.0235 129.2267 129.4280 129.4670 129.6933 129.8530 129.9864 130.3114 130.5419 130.5754 130.7329 130.9180 131.1180 131.2883 131.5086 131.7249 131.8433 131.9782 132.0852 132.2956 132.3640 132.6875 132.7292 132.9044 132.9638 133.0240 133.2522 133.4857 133.6532 133.6697 134.2953 134.3389 134.5307 134.8662 135.0342 135.1294 135.3621 135.5301 135.7342 136.0702 136.1742 136.3847 136.5484 136.7482 137.2481 137.3702 137.7605 138.0331 138.3718 138.6653 138.7214 138.8643 139.1125 139.1677 139.3279 139.5904 140.0108 140.3206 140.6536 140.7647 141.2750 141.4718 141.8146 141.9401 142.5068 143.0097 143.6759 144.1023 144.3341 144.4230 144.5884 144.7248 144.8455 145.1762 145.6255 145.7786 145.9880 146.1814 146.5344 146.6514 147.0309 147.1062 147.2137 147.6777 147.8360 147.8983 148.2048 148.3650 148.5022 148.7278 148.9411 149.1504 149.3794 149.6406 149.7273 149.9457 150.3142 150.4069 150.7249 151.1316 151.1540 151.4824 151.8758 152.1139 152.4367 152.6455 152.7450 153.2218 153.8190 154.1235 154.3542 154.6891 154.8540 155.3370 155.6053 156.1349 156.5223 156.6084 156.8347 157.3147 157.4002 157.7423 158.1766 158.4572 158.6544 159.2813 159.6941 159.8566 160.0232 160.1345 160.4411 160.5617 161.4092 161.5045 162.2159 162.4651 163.3412 164.3610 164.9130 165.8446 166.1524 167.0867 167.1960 169.0521 170.3437 170.8293 171.8516 172.4726 173.0194 174.3582 175.2580 175.6957 177.4505 177.8025 178.8318 181.6007 184.0221 185.3275 186.0034 187.3808 188.2166 188.3948 188.4408 188.5756 188.6365 188.6936 189.2640 189.7060 190.0818 190.4932 191.2118 192.3541 192.8520 194.6356 195.3855 196.3731 197.2989 198.0441 200.3362 201.4664 203.3634 203.7256 204.0641 205.5488 206.7419 206.8876 208.0968 208.6792 209.8599 228.5383 230.2790 232.3619 232.9072 239.9597 242.1164 245.2164 245.7585 247.5179 248.3799 619.0256 622.5539 625.6808 626.3896 629.1749 631.6905 632.7422 633.7291 634.1771 634.7437 635.3460 635.6076 636.6265 636.8111 637.1021 637.7841 639.2701 641.2981 642.7861 648.3929 651.2959 657.6429 657.7994 658.3318 1211.2148 1212.5290 1217.6812 1558.5800 1563.2965 0.0000000 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 Br F F 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 C H H H H H H H H H H H H H H H H H H H H H H H -0.079578 -0.161965 -0.150432 -0.377810 -0.261090 -0.323690 0.399434 -0.086994 -0.058770 -0.367824 -0.336732 -0.290592 -0.176326 0.064699 -0.121602 -0.184301 0.224102 0.109772 -0.386664 -0.231485 0.407086 -0.117682 -0.256542 0.448524 0.338066 -0.285531 -0.232374 -0.115671 -0.145259 -0.188219 0.107012 0.103110 0.103133 0.095698 0.110549 0.108028 0.103020 0.101930 0.138678 0.140524 0.105488 0.099663 0.141656 0.144200 0.123931 0.140750 0.156324 0.148555 0.145814 0.156145 0.156159 0.157997 0.157084 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 Br F F 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 C H H H H H H H H H H H H H H H H H H H H H H H 35.0796 9.1620 9.1504 8.3778 8.2611 8.3237 5.6006 6.0870 6.0588 6.3678 6.3367 6.2906 6.1763 5.9353 6.1216 6.1843 5.7759 5.8902 6.3867 6.2315 5.5929 6.1177 6.2565 5.5515 5.6619 6.2855 6.2324 6.1157 6.1453 6.1882 0.8930 0.8969 0.8969 0.9043 0.8895 0.8920 0.8970 0.8981 0.8613 0.8595 0.8945 0.9003 0.8583 0.8558 0.8761 0.8592 0.8437 0.8514 0.8542 0.8439 0.8438 0.8420 0.8429 35.0000 9.0000 9.0000 8.0000 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 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 -0.0796 -0.1620 -0.1504 -0.3778 -0.2611 -0.3237 0.3994 -0.0870 -0.0588 -0.3678 -0.3367 -0.2906 -0.1763 0.0647 -0.1216 -0.1843 0.2241 0.1098 -0.3867 -0.2315 0.4071 -0.1177 -0.2565 0.4485 0.3381 -0.2855 -0.2324 -0.1157 -0.1453 -0.1882 0.1070 0.1031 0.1031 0.0957 0.1105 0.1080 0.1030 0.1019 0.1387 0.1405 0.1055 0.0997 0.1417 0.1442 0.1239 0.1408 0.1563 0.1486 0.1458 0.1561 0.1562 0.1580 0.1571 1.1785 1.1285 1.1472 1.9281 2.1183 2.0500 3.5452 3.9742 3.6283 3.9205 3.9205 4.1357 3.9574 3.8990 3.9237 4.0278 3.6529 3.4705 4.0888 3.9097 3.4812 3.8886 3.9000 4.5320 3.6469 3.9598 3.9232 3.8958 3.8900 3.9179 1.0043 0.9855 1.0056 1.0132 0.9995 1.0025 1.0041 1.0017 1.0064 0.9988 0.9914 0.9936 1.0175 1.0058 1.0295 1.0048 0.9903 1.0100 1.0237 0.9986 0.9908 0.9905 0.9905 1.1785 1.1285 1.1472 1.9281 2.1183 2.0500 3.5452 3.9742 3.6283 3.9205 3.9205 4.1357 3.9574 3.8990 3.9237 4.0278 3.6529 3.4705 4.0888 3.9097 3.4812 3.8886 3.9000 4.5320 3.6469 3.9598 3.9232 3.8958 3.8900 3.9179 1.0043 0.9855 1.0056 1.0132 0.9995 1.0025 1.0041 1.0017 1.0064 0.9988 0.9914 0.9936 1.0175 1.0058 1.0295 1.0048 0.9903 1.0100 1.0237 0.9986 0.9908 0.9905 0.9905 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0623 1.0820 1.1452 0.9472 0.9634 0.8765 1.1719 0.8923 0.9753 0.9138 0.8840 0.8974 0.9204 0.9901 0.9966 1.3511 1.3305 0.9914 0.9927 1.0019 0.9930 0.9861 0.9824 1.5296 0.9927 1.4796 0.9832 0.9169 0.9868 1.0205 1.2920 0.9619 1.3984 0.9953 1.3610 1.3131 1.3878 1.0069 1.4228 1.0083 1.2628 1.4287 0.9840 0.9943 1.3462 1.3431 1.4359 0.9836 1.4180 0.9795 1.4083 0.9797 1.4183 0.9768 0.9831 0 23 1 23 2 23 3 7 3 13 4 16 4 23 5 20 5 24 6 7 6 8 6 9 6 10 7 30 7 31 8 11 8 12 9 32 9 33 9 34 10 35 10 36 10 37 11 14 11 38 12 15 12 39 13 17 13 40 13 41 14 16 14 42 15 16 15 43 17 18 17 19 18 20 18 44 19 21 19 45 20 22 21 22 21 46 22 47 24 25 24 26 25 27 25 48 26 28 26 49 27 29 27 50 28 29 28 51 29 52 -0.035102950 -3928.148222177263 -63.38051 62.08125 -1.29926 43.38898 -43.02510 0.36388 -13.33300 14.32267 0.98967 1.67330 4.25319