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:.4934,-2.8939,3.099;1.6827,-3.9178,.9338;1.0334,-5.4177,2.3288;-2.6565,1.1901,-.0009;-.4509,-4.5347,1.0668;2.511,3.5546,-1.6611;-3.5039,-.4652,-1.5153;-2.7731,.8706,-1.3666;-2.6957,-1.5468,-.8077;-3.6,-.7812,-3.0124;-4.9243,-.3365,-.9649;-3.1835,-2.2585,.2843;-1.4069,-1.8516,-1.25;-1.8629,2.3235,.2474;-2.4212,-3.2331,.9146;-.6326,-2.8264,-.6431;-1.1511,-3.5054,.4469;-.3924,2.0694,.0276;.3649,2.9573,-.7245;.2141,.9429,.5797;1.7269,2.7347,-.8998;1.5667,.7192,.3804;2.3345,1.6154,-.351;.6755,-4.2857,1.7352;2.2627,4.8998,-1.7079;2.0243,5.6442,-.5584;2.3174,5.5142,-2.9508;1.8298,7.0133,-.6666;2.1335,6.8869,-3.0425;1.8827,7.6407,-1.9047;-1.786,.809,-1.8439;-3.333,1.6543,-1.8981;-4.0945,-1.7397,-3.1765;-4.1837,-.0158,-3.5279;-2.6229,-.8255,-3.495;-5.4911,-1.2587,-1.1053;-5.4544,.4532,-1.5006;-4.9541,-.0853,.0953;-4.1749,-2.0656,.6698;-.981,-1.3253,-2.0948;-2.1887,3.1792,-.3593;-2.0348,2.593,1.2928;-2.8203,-3.7754,1.7623;.3483,-3.0502,-1.0385;-.1157,3.8181,-1.1751;-.3683,.2421,1.1646;2.038,-.1572,.8073;3.3937,1.446,-.4989;1.9932,5.1676,.4135;2.507,4.9221,-3.8375;1.6425,7.5929,.2282;2.1792,7.365,-4.0125;1.7332,8.7097,-1.9808; 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 3409.4630954757 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 5.745e-06 Time for diagonalization 0.814 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.813 sec Total time needed 1.647 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:.4934,-2.8939,3.099;1.6827,-3.9178,.9338;1.0334,-5.4177,2.3288;-2.6565,1.1901,-.0009;-.4509,-4.5347,1.0668;2.511,3.5546,-1.6611;-3.5039,-.4652,-1.5153;-2.7731,.8706,-1.3666;-2.6957,-1.5468,-.8077;-3.6,-.7812,-3.0124;-4.9243,-.3365,-.9649;-3.1835,-2.2585,.2843;-1.4069,-1.8516,-1.25;-1.8629,2.3235,.2474;-2.4212,-3.2331,.9146;-.6326,-2.8264,-.6431;-1.1511,-3.5054,.4469;-.3924,2.0694,.0276;.3649,2.9573,-.7245;.2141,.9429,.5797;1.7269,2.7347,-.8998;1.5667,.7192,.3804;2.3345,1.6154,-.351;.6755,-4.2857,1.7352;2.2627,4.8998,-1.7079;2.0243,5.6442,-.5584;2.3174,5.5142,-2.9508;1.8298,7.0133,-.6666;2.1335,6.8869,-3.0425;1.8827,7.6407,-1.9047;-1.786,.809,-1.8439;-3.333,1.6543,-1.8981;-4.0945,-1.7397,-3.1765;-4.1837,-.0158,-3.5279;-2.6229,-.8255,-3.495;-5.4911,-1.2587,-1.1053;-5.4544,.4532,-1.5006;-4.9541,-.0853,.0953;-4.1749,-2.0656,.6698;-.981,-1.3253,-2.0948;-2.1887,3.1792,-.3593;-2.0348,2.593,1.2928;-2.8203,-3.7754,1.7623;.3483,-3.0502,-1.0385;-.1157,3.8181,-1.1751;-.3683,.2421,1.1646;2.038,-.1572,.8073;3.3937,1.446,-.4989;1.9932,5.1676,.4135;2.507,4.9221,-3.8375;1.6425,7.5929,.2282;2.1792,7.365,-4.0125;1.7332,8.7097,-1.9808; 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:.4934,-2.8939,3.099;1.6827,-3.9178,.9338;1.0334,-5.4177,2.3288;-2.6565,1.1901,-.0009;-.4509,-4.5347,1.0668;2.511,3.5546,-1.6611;-3.5039,-.4652,-1.5153;-2.7731,.8706,-1.3666;-2.6957,-1.5468,-.8077;-3.6,-.7812,-3.0124;-4.9243,-.3365,-.9649;-3.1835,-2.2585,.2843;-1.4069,-1.8516,-1.25;-1.8629,2.3235,.2474;-2.4212,-3.2331,.9146;-.6326,-2.8264,-.6431;-1.1511,-3.5054,.4469;-.3924,2.0694,.0276;.3649,2.9573,-.7245;.2141,.9429,.5797;1.7269,2.7347,-.8998;1.5667,.7192,.3804;2.3345,1.6154,-.351;.6755,-4.2857,1.7352;2.2627,4.8998,-1.7079;2.0243,5.6442,-.5584;2.3174,5.5142,-2.9508;1.8298,7.0133,-.6666;2.1335,6.8869,-3.0425;1.8827,7.6407,-1.9047;-1.786,.809,-1.8439;-3.333,1.6543,-1.8981;-4.0945,-1.7397,-3.1765;-4.1837,-.0158,-3.5279;-2.6229,-.8255,-3.495;-5.4911,-1.2587,-1.1053;-5.4544,.4532,-1.5006;-4.9541,-.0853,.0953;-4.1749,-2.0656,.6698;-.981,-1.3253,-2.0948;-2.1887,3.1792,-.3593;-2.0348,2.593,1.2928;-2.8203,-3.7754,1.7623;.3483,-3.0502,-1.0385;-.1157,3.8181,-1.1751;-.3683,.2421,1.1646;2.038,-.1572,.8073;3.3937,1.446,-.4989;1.9932,5.1676,.4135;2.507,4.9221,-3.8375;1.6425,7.5929,.2282;2.1792,7.365,-4.0125;1.7332,8.7097,-1.9808; 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 3004 GEPOL Volume 3253.0301 GEPOL Surface-area 1689.5410 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.1s -3928.11664133 3409.46309548 -7337.57973680 -12215.93215244 4878.35241564 -0.02273397 -7846.90357367 3918.78693234 2.00238076 121.999924265367 121.999924265367 243.999848530734 -198.378905967877 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 -13141.5511 -1704.0994 -1535.4336 -1535.3550 -1535.3521 -675.7618 -675.6648 -525.3411 -524.5744 -523.5391 -287.3409 -281.6870 -281.5448 -281.5144 -280.8728 -280.6718 -280.1159 -280.0405 -280.0064 -279.9490 -279.9168 -279.8299 -279.8188 -279.8168 -279.8075 -279.8003 -279.7693 -279.7310 -279.7263 -279.6667 -279.6480 -279.5660 -279.1726 -279.0783 -240.1284 -180.9730 -180.6621 -180.6587 -75.1691 -75.0834 -75.0806 -74.8240 -74.8239 -39.0485 -37.0255 -33.6790 -32.9193 -31.6402 -27.0818 -26.9271 -26.5427 -25.7287 -25.2901 -24.3823 -23.9202 -23.8587 -23.7714 -23.6568 -23.0455 -22.2546 -21.9487 -21.7613 -20.7327 -20.4608 -20.3815 -19.9413 -19.7754 -19.2482 -19.2401 -18.8597 -18.6246 -18.2859 -18.0936 -17.7266 -16.8046 -16.5967 -16.3861 -16.0792 -16.0128 -15.9317 -15.8200 -15.7527 -15.6970 -15.4990 -15.2709 -15.0151 -14.9886 -14.7814 -14.6725 -14.5038 -14.2890 -14.2685 -14.1241 -13.8993 -13.7556 -13.5854 -13.5422 -13.3625 -13.0852 -13.0587 -12.8206 -12.7563 -12.6150 -12.4462 -12.3795 -12.3446 -11.9965 -11.8549 -11.7045 -11.6563 -11.4911 -11.3845 -10.9784 -10.9646 -10.8699 -9.8295 -9.6234 -9.5150 -9.3406 -9.2019 -9.0717 -8.3870 1.2427 1.3488 1.3987 1.5887 1.8319 1.9567 2.0999 3.2488 3.5821 3.7658 3.9326 4.0272 4.1782 4.2952 4.4988 4.6405 4.7116 4.7708 4.9257 4.9853 5.0437 5.1383 5.2275 5.3645 5.4488 5.5522 5.6278 5.7028 5.8458 5.9042 6.0139 6.0323 6.1905 6.2518 6.2947 6.4086 6.5982 6.6475 6.8482 6.9472 7.0155 7.0580 7.1293 7.2806 7.3477 7.4776 7.5928 7.7202 7.7865 7.8947 7.9530 8.0537 8.1024 8.1426 8.2361 8.3065 8.3780 8.5561 8.5793 8.7145 8.8162 8.9167 8.9518 9.0552 9.0867 9.2537 9.3433 9.4610 9.5368 9.6282 9.7039 9.7687 9.9991 10.0765 10.1138 10.1855 10.3526 10.4499 10.6258 10.6876 10.7618 10.8726 11.0113 11.0822 11.1550 11.2045 11.2352 11.3472 11.5019 11.5730 11.6029 11.6766 11.7166 11.8589 11.8770 12.0020 12.2524 12.3596 12.4236 12.5596 12.6762 12.7379 12.8096 12.8380 12.9391 12.9744 13.1153 13.1345 13.2295 13.3543 13.3893 13.4658 13.5623 13.6827 13.7251 13.8228 13.8444 13.9514 14.0728 14.0883 14.1550 14.3170 14.3373 14.3846 14.5756 14.7475 14.8193 14.8299 14.9004 14.9791 15.0001 15.1742 15.2286 15.2909 15.4130 15.5011 15.5488 15.6496 15.7562 15.8452 15.9436 15.9754 16.0708 16.1009 16.2853 16.3955 16.5180 16.6062 16.6873 16.7912 16.8049 16.9711 17.2239 17.3142 17.4072 17.4389 17.6331 17.8696 18.0680 18.0942 18.3177 18.3517 18.5960 18.7498 18.8171 18.9965 19.1214 19.2688 19.4297 19.5768 19.7681 19.8842 20.0394 20.1181 20.1905 20.3321 20.4583 20.5326 20.6049 20.7727 20.8367 20.9149 20.9853 21.0269 21.2045 21.2816 21.3873 21.5153 21.5407 21.6151 21.7445 21.8242 21.9532 22.1931 22.2908 22.3755 22.4884 22.5711 22.8324 22.9127 22.9880 23.1621 23.2004 23.3928 23.5169 23.6289 23.7258 23.9079 23.9300 24.0759 24.2194 24.3228 24.4831 24.5120 24.7592 24.9411 24.9622 25.0529 25.0843 25.3417 25.4892 25.5847 25.6485 25.7493 25.8398 25.8705 26.0645 26.1547 26.2717 26.4220 26.5633 26.5750 26.7691 26.8874 27.1372 27.3201 27.4058 27.6444 27.7151 27.8470 27.9189 27.9834 28.1087 28.2871 28.6160 28.6546 28.7391 28.8535 28.8774 29.1338 29.1660 29.3297 29.4436 29.5865 29.7080 29.8046 29.9660 29.9906 30.0381 30.1534 30.2988 30.3560 30.5387 30.5743 30.6787 30.8730 31.0573 31.1291 31.3509 31.3749 31.5156 31.6213 31.7107 31.7712 32.1011 32.2310 32.3195 32.3643 32.6093 32.7255 32.8783 32.9653 33.1898 33.2567 33.4419 33.5367 33.6966 33.7734 34.0564 34.2087 34.3178 34.4467 34.5185 34.7213 34.9179 35.0739 35.1194 35.3947 35.4655 35.5360 35.5688 35.6924 35.7528 35.9574 36.1133 36.2636 36.2696 36.3397 36.5636 36.7434 36.9836 37.0688 37.2080 37.3646 37.5453 37.6089 37.6657 37.8942 38.0110 38.0943 38.2114 38.3101 38.4067 38.5863 38.7277 38.7734 38.9401 39.0424 39.0707 39.1660 39.2811 39.3250 39.4805 39.5894 39.7084 39.8731 40.0442 40.1510 40.2888 40.3280 40.4321 40.5009 40.6873 40.7947 40.8757 41.0038 41.1412 41.2903 41.3392 41.3885 41.5655 41.7140 41.9334 41.9992 42.0518 42.1468 42.2827 42.3676 42.5508 42.6645 42.8477 42.9805 43.1387 43.3114 43.4343 43.5226 43.6611 43.6960 43.8645 44.0152 44.0951 44.2477 44.3479 44.4952 44.5170 44.5519 44.7609 44.8215 44.9031 44.9907 45.1740 45.2164 45.4541 45.4808 45.6051 45.8361 45.8621 45.9419 46.1654 46.3014 46.3914 46.6389 46.7344 46.8908 47.0635 47.1549 47.2469 47.2787 47.3656 47.6353 47.8841 47.9298 48.0572 48.1183 48.1736 48.4365 48.4879 48.6108 48.6756 48.9497 49.0209 49.0926 49.1803 49.3730 49.6141 49.7094 49.8775 50.0069 50.2137 50.5121 50.5701 50.6763 50.8599 50.9598 51.1331 51.2390 51.5082 51.6679 51.7139 51.9719 52.2271 52.4300 52.7886 52.8520 53.0338 53.2216 53.3001 53.4083 53.6277 53.8020 53.9888 54.2798 54.3747 54.6416 54.8320 55.0453 55.2937 55.4996 55.9194 56.0344 56.2331 56.2507 56.4089 56.6710 56.8368 57.0157 57.1246 57.2188 57.4684 57.5117 57.6430 57.8339 58.0944 58.3652 58.6429 58.7774 59.0665 59.2179 59.3702 59.7298 59.9671 60.0219 60.4118 60.4167 60.8689 61.1014 61.2779 61.5512 61.7786 62.1758 62.2023 62.3896 62.7016 63.1311 63.5021 63.6077 63.7365 63.8284 63.9754 64.1875 64.3774 64.5063 64.7140 64.7420 65.1004 65.1752 65.4490 65.5926 65.6678 65.7246 66.1498 66.3959 66.5967 66.6253 66.8221 67.0032 67.1459 67.4030 67.4773 67.7852 67.8652 68.1634 68.4279 68.5443 68.6208 68.9824 69.0294 69.1414 69.4327 69.7196 69.8977 70.2782 70.8360 71.2662 71.4251 71.6306 72.0305 72.2211 72.5115 73.0249 73.1645 73.4949 73.7523 74.0053 74.2577 74.3261 74.4524 74.6245 74.7398 75.0901 75.1465 75.3194 75.5781 75.6967 75.8663 76.1728 76.3714 76.4411 76.6087 76.7845 76.9176 76.9795 77.2517 77.2812 77.3734 77.4982 77.7587 77.8867 77.9347 78.0164 78.2497 78.3699 78.4489 78.6814 78.7207 78.7681 78.8911 79.0667 79.1452 79.2980 79.4073 79.5511 79.6890 79.7275 79.9294 80.0478 80.0814 80.2544 80.4616 80.6053 80.8662 80.8947 81.1269 81.3083 81.5927 81.6693 81.8580 82.0705 82.1628 82.2925 82.3304 82.4578 82.6069 82.7333 82.8808 83.0426 83.1200 83.3540 83.5072 83.5619 83.8817 84.0314 84.1723 84.2940 84.4041 84.4139 84.6090 84.7328 84.8309 84.9122 85.0598 85.1728 85.2387 85.2987 85.3790 85.3825 85.4581 85.6150 85.7393 85.8431 85.8977 85.9878 86.1959 86.2245 86.4030 86.5385 86.6193 86.6916 86.7942 86.8330 86.8673 86.9606 87.0258 87.1879 87.3932 87.6365 87.7598 87.8348 87.9929 88.0867 88.2520 88.3661 88.4099 88.4925 88.5202 88.7643 88.8247 88.9462 89.0768 89.1294 89.2246 89.3372 89.5099 89.5370 89.5712 89.7224 89.8748 89.9972 90.1423 90.2634 90.4193 90.4918 90.5981 90.7360 91.1169 91.1761 91.3509 91.5672 91.7413 91.7868 91.8094 92.1108 92.3298 92.4504 92.5075 92.5610 92.7869 92.8509 92.9284 93.0124 93.1335 93.1869 93.3083 93.4064 93.5870 93.6443 93.6964 93.8264 94.0577 94.1243 94.1482 94.1642 94.3019 94.4110 94.5115 94.5678 94.8871 95.0203 95.0310 95.1179 95.1659 95.3658 95.4731 95.5025 95.7440 95.8476 95.9729 96.2406 96.3219 96.4553 96.5546 96.6203 96.8146 96.9711 97.0495 97.2038 97.3429 97.4179 97.5238 97.6046 97.7120 97.9212 97.9965 98.0490 98.1624 98.4632 98.5185 98.6279 98.8152 98.9126 99.0748 99.2986 99.3294 99.6528 99.7483 99.9171 100.0475 100.1622 100.2185 100.4606 100.5893 100.7290 100.8761 100.9516 101.1095 101.2478 101.5382 101.6643 102.1113 102.2278 102.3979 102.5321 102.7048 102.8178 102.9172 103.0385 103.3112 103.5579 103.5737 103.9509 104.1331 104.2650 104.4079 104.6149 104.7605 104.7923 104.9789 105.1929 105.2317 105.3581 105.4142 105.5175 105.5432 105.6658 105.7361 105.7945 105.9605 105.9905 106.0297 106.0955 106.3202 106.3759 106.4094 106.6250 106.7974 106.8161 106.9874 107.1509 107.1736 107.2992 107.5085 107.5828 107.6898 107.7457 107.9845 108.1186 108.2414 108.3600 108.5637 108.7641 108.9800 109.0777 109.3470 109.4457 109.5717 109.6511 109.6958 109.8339 109.9924 110.0854 110.4373 110.6796 110.8643 110.9585 111.0897 111.2348 111.4409 111.5903 111.7472 112.2935 112.4096 112.4487 112.6291 112.8290 113.1450 113.4150 113.4248 113.5422 113.7862 113.9115 114.0083 114.2121 114.2930 114.3597 114.5720 114.8300 114.9815 115.0341 115.1390 115.2953 115.5472 115.6622 115.8605 115.9292 116.0099 116.0984 116.3554 116.4447 116.6026 116.7298 116.8470 117.0495 117.1928 117.3317 117.5151 117.6332 117.6904 117.7929 117.8563 118.1035 118.2595 118.3461 118.4129 118.4842 118.5340 118.6680 118.7124 118.8148 118.8816 118.9580 119.1092 119.2264 119.3370 119.4395 119.5210 119.6143 119.7034 119.8513 120.0368 120.1956 120.4178 120.5083 120.6106 120.6746 120.8853 120.9768 121.1310 121.3583 121.5178 121.5508 121.6990 121.8659 121.9486 122.2071 122.3919 122.6659 122.7908 123.0017 123.4130 123.4592 123.7400 124.1575 124.4007 124.8151 124.9756 125.1525 125.4563 125.5361 125.9103 126.2477 126.5106 126.6437 126.8408 126.9214 127.4899 127.8197 127.9526 128.3968 128.6204 128.7307 128.9437 129.1724 129.2635 129.4493 129.7134 129.9485 130.1254 130.1635 130.5319 130.6399 130.7499 130.8764 131.1684 131.2175 131.3578 131.6343 131.7518 131.9035 132.1054 132.1134 132.2745 132.4016 132.4830 132.6512 132.8081 132.8999 133.0587 133.1390 133.3426 133.6418 133.9071 134.2953 134.4810 134.5299 134.7134 135.0682 135.1447 135.3452 135.7150 136.0011 136.0473 136.5312 136.8386 137.1931 137.5246 137.5913 137.7071 138.0186 138.1877 138.5033 138.6070 138.6579 138.8244 138.9169 139.2468 139.5734 140.0376 140.2588 140.6627 141.1239 141.3236 141.4715 141.6779 142.0028 143.2939 143.4883 144.1746 144.2266 144.2621 144.2878 144.5047 144.6434 144.9175 145.1617 145.4716 145.8847 146.0394 146.2974 146.7186 146.8210 146.9357 147.1105 147.6668 147.7286 147.8521 147.9719 148.1987 148.2601 148.4186 148.8156 148.8425 149.0001 149.3521 149.5409 149.6226 150.0186 150.2900 150.6023 150.6448 150.8617 151.2120 151.6692 152.2139 152.4472 152.4958 152.6590 153.0834 153.6683 154.1349 154.2659 154.6017 154.7496 155.2344 155.7490 155.9542 156.1932 156.2670 156.9367 157.1055 157.2148 157.7461 157.9485 158.2900 158.6165 159.1277 159.4505 159.8725 160.1073 160.2575 160.4896 160.6611 161.4984 162.0977 162.3806 162.4784 163.4762 163.9200 164.2358 165.7711 167.2084 167.3184 168.7971 169.2987 170.1147 171.3462 172.2517 172.6922 172.8852 172.9508 174.4861 176.1925 176.9226 177.3795 177.9941 180.8477 183.2075 185.2534 185.2961 186.8650 187.3049 188.3358 188.4084 188.5689 188.6202 188.7986 189.4938 189.7152 190.0043 191.3159 191.3785 192.1318 193.4440 194.5879 195.4863 195.6976 196.0021 197.7732 200.0685 200.2924 201.8427 202.0213 204.4637 204.7498 206.4763 206.4881 206.8976 208.0011 209.8937 228.1951 229.8318 231.5644 232.5951 239.7959 241.7863 244.7945 245.2874 247.0429 247.7476 618.3335 620.5188 621.2229 624.7358 628.1525 630.9582 631.9426 633.5239 634.0936 634.4005 634.7794 635.1423 635.9468 636.4152 636.7110 637.4030 638.5853 640.2406 642.4588 648.3668 651.3872 657.1097 657.3311 658.0698 1209.3802 1211.5650 1214.8532 1556.3263 1558.8563 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 -0.081598 -0.159334 -0.149364 -0.365355 -0.270009 -0.329902 0.406344 -0.093638 -0.055692 -0.334727 -0.371384 -0.169297 -0.232270 0.070646 -0.138857 -0.156941 0.143826 0.001943 -0.163026 -0.256054 0.266497 -0.094423 -0.250000 0.435439 0.276061 -0.188090 -0.243249 -0.144308 -0.123920 -0.182786 0.107836 0.106295 0.109233 0.103071 0.101802 0.109520 0.102304 0.098438 0.144612 0.139890 0.093998 0.108718 0.148255 0.149066 0.137680 0.127457 0.143954 0.145422 0.155745 0.145969 0.159125 0.157185 0.157892 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 35.0816 9.1593 9.1494 8.3654 8.2700 8.3299 5.5937 6.0936 6.0557 6.3347 6.3714 6.1693 6.2323 5.9294 6.1389 6.1569 5.8562 5.9981 6.1630 6.2561 5.7335 6.0944 6.2500 5.5646 5.7239 6.1881 6.2432 6.1443 6.1239 6.1828 0.8922 0.8937 0.8908 0.8969 0.8982 0.8905 0.8977 0.9016 0.8554 0.8601 0.9060 0.8913 0.8517 0.8509 0.8623 0.8725 0.8560 0.8546 0.8443 0.8540 0.8409 0.8428 0.8421 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 -0.0816 -0.1593 -0.1494 -0.3654 -0.2700 -0.3299 0.4063 -0.0936 -0.0557 -0.3347 -0.3714 -0.1693 -0.2323 0.0706 -0.1389 -0.1569 0.1438 0.0019 -0.1630 -0.2561 0.2665 -0.0944 -0.2500 0.4354 0.2761 -0.1881 -0.2432 -0.1443 -0.1239 -0.1828 0.1078 0.1063 0.1092 0.1031 0.1018 0.1095 0.1023 0.0984 0.1446 0.1399 0.0940 0.1087 0.1483 0.1491 0.1377 0.1275 0.1440 0.1454 0.1557 0.1460 0.1591 0.1572 0.1579 1.1750 1.1285 1.1471 1.9337 2.1065 2.0742 3.5375 3.9656 3.6096 3.9234 3.9271 3.9557 3.9811 3.8960 4.0115 3.9997 3.7872 3.6165 3.8656 3.9397 3.7281 3.8738 4.0350 4.5505 3.7009 3.9137 4.0086 3.8909 3.8842 3.9028 0.9823 1.0027 1.0025 1.0037 1.0029 0.9994 1.0062 1.0109 0.9981 1.0075 1.0008 0.9889 1.0049 1.0104 1.0097 1.0092 0.9961 1.0070 0.9973 1.0079 0.9902 0.9895 0.9905 1.1750 1.1285 1.1471 1.9337 2.1065 2.0742 3.5375 3.9656 3.6096 3.9234 3.9271 3.9557 3.9811 3.8960 4.0115 3.9997 3.7872 3.6165 3.8656 3.9397 3.7281 3.8738 4.0350 4.5505 3.7009 3.9137 4.0086 3.8909 3.8842 3.9028 0.9823 1.0027 1.0025 1.0037 1.0029 0.9994 1.0062 1.0109 0.9981 1.0075 1.0008 0.9889 1.0049 1.0104 1.0097 1.0092 0.9961 1.0070 0.9973 1.0079 0.9902 0.9895 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 1.0587 1.1013 1.1528 0.9534 0.9809 0.8213 1.1909 0.9582 0.9293 0.9271 0.8736 0.9252 0.8939 0.9856 0.9807 1.3484 1.3212 0.9928 0.9857 0.9830 1.0020 0.9924 0.9931 1.4643 0.9686 1.4806 1.0024 0.8984 1.0297 0.9697 1.4225 0.9796 1.3857 0.9820 1.3778 1.3595 1.3574 0.9615 1.4171 0.9920 1.4004 1.4372 0.9857 0.9852 1.3510 1.3907 1.4219 0.9713 1.4280 0.9824 1.4102 0.9761 1.4075 0.9782 0.9816 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 -0.029080678 -3928.145722004942 -32.81793 31.66355 -1.15439 67.14041 -65.63129 1.50913 -56.71693 55.70620 -1.01073 2.15212 5.47027