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:2.8243,-2.5911,-1.7027;2.3801,-3.616,.7266;3.9552,-2.1448,.6892;-3.5947,.58,1.4864;1.9359,-1.438,.6683;.2279,3.054,-.9334;-3.7349,-1.3963,.1279;-4.1134,.0807,.2721;-2.2196,-1.5074,.2388;-4.2086,-1.8662,-1.2506;-4.4655,-2.2189,1.1887;-1.4049,-.8629,-.6942;-1.5946,-2.1766,1.2869;-3.8252,1.9542,1.6777;-.0249,-.8619,-.5782;-.2121,-2.1953,1.418;.5572,-1.5297,.4848;-3.0408,2.8394,.7399;-1.7315,2.5163,.3909;-3.6242,3.9932,.2295;-1.023,3.3545,-.4587;-2.9013,4.8298,-.6091;-1.5973,4.5178,-.9554;2.7343,-2.4191,.2473;1.2362,2.5633,-.1514;2.2792,1.9526,-.8415;1.2906,2.6968,1.23;3.3762,1.4714,-.1469;2.3952,2.2003,1.9127;3.4396,1.5881,1.2361;-3.7237,.6482,-.5824;-5.2078,.1819,.2515;-3.7601,-1.2944,-2.0636;-3.9643,-2.9177,-1.4059;-5.2919,-1.7613,-1.3354;-5.5429,-2.1066,1.0582;-4.2275,-1.9134,2.2076;-4.2352,-3.2816,1.0976;-1.8448,-.3222,-1.5226;-2.178,-2.6882,2.0392;-4.8933,2.1912,1.5904;-3.5357,2.1705,2.7093;.5807,-.3254,-1.2959;.245,-2.6964,2.2608;-1.2775,1.6082,.7683;-4.6494,4.2341,.4827;-3.3587,5.7268,-1.0051;-1.0312,5.1579,-1.62;2.2272,1.8624,-1.9194;.4966,3.1829,1.7811;4.1826,.9987,-.6922;2.4344,2.3029,2.9892;4.2948,1.2086,1.7789; 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 3607.8442626502 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 4.996e-06 Time for diagonalization 0.404 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.370 sec Total time needed 0.782 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:2.8243,-2.5911,-1.7027;2.3801,-3.616,.7266;3.9552,-2.1448,.6892;-3.5946,.58,1.4864;1.9359,-1.438,.6683;.2279,3.054,-.9334;-3.7349,-1.3963,.1279;-4.1134,.0807,.2721;-2.2196,-1.5074,.2388;-4.2086,-1.8662,-1.2506;-4.4655,-2.2189,1.1887;-1.4049,-.8629,-.6942;-1.5946,-2.1766,1.2869;-3.8252,1.9542,1.6777;-.0249,-.8619,-.5782;-.2121,-2.1953,1.418;.5572,-1.5297,.4848;-3.0408,2.8394,.7399;-1.7315,2.5163,.3909;-3.6242,3.9932,.2295;-1.023,3.3545,-.4587;-2.9013,4.8298,-.6091;-1.5973,4.5178,-.9554;2.7343,-2.4191,.2473;1.2362,2.5634,-.1514;2.2792,1.9526,-.8415;1.2906,2.6968,1.23;3.3762,1.4714,-.1469;2.3952,2.2003,1.9127;3.4396,1.5881,1.2361;-3.7237,.6482,-.5824;-5.2078,.1819,.2515;-3.7601,-1.2944,-2.0636;-3.9643,-2.9177,-1.4059;-5.2919,-1.7613,-1.3354;-5.5429,-2.1066,1.0582;-4.2275,-1.9134,2.2076;-4.2352,-3.2816,1.0976;-1.8448,-.3222,-1.5226;-2.178,-2.6882,2.0392;-4.8933,2.1912,1.5904;-3.5357,2.1705,2.7093;.5807,-.3254,-1.2959;.245,-2.6964,2.2608;-1.2775,1.6082,.7683;-4.6494,4.2341,.4827;-3.3587,5.7268,-1.0051;-1.0312,5.1579,-1.62;2.2272,1.8624,-1.9194;.4966,3.1829,1.7811;4.1826,.9987,-.6922;2.4344,2.3029,2.9892;4.2948,1.2086,1.7789; 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" 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:2.8243,-2.5911,-1.7027;2.3801,-3.616,.7266;3.9552,-2.1448,.6892;-3.5947,.58,1.4864;1.9359,-1.438,.6683;.2279,3.054,-.9334;-3.7349,-1.3963,.1279;-4.1134,.0807,.2721;-2.2196,-1.5074,.2388;-4.2086,-1.8662,-1.2506;-4.4655,-2.2189,1.1887;-1.4049,-.8629,-.6942;-1.5946,-2.1766,1.2869;-3.8252,1.9542,1.6777;-.0249,-.8619,-.5782;-.2121,-2.1953,1.418;.5572,-1.5297,.4848;-3.0408,2.8394,.7399;-1.7315,2.5163,.3909;-3.6242,3.9932,.2295;-1.023,3.3545,-.4587;-2.9013,4.8298,-.6091;-1.5973,4.5178,-.9554;2.7343,-2.4191,.2473;1.2362,2.5633,-.1514;2.2792,1.9526,-.8415;1.2906,2.6968,1.23;3.3762,1.4714,-.1469;2.3952,2.2003,1.9127;3.4396,1.5881,1.2361;-3.7237,.6482,-.5824;-5.2078,.1819,.2515;-3.7601,-1.2944,-2.0636;-3.9643,-2.9177,-1.4059;-5.2919,-1.7613,-1.3354;-5.5429,-2.1066,1.0582;-4.2275,-1.9134,2.2076;-4.2352,-3.2816,1.0976;-1.8448,-.3222,-1.5226;-2.178,-2.6882,2.0392;-4.8933,2.1912,1.5904;-3.5357,2.1705,2.7093;.5807,-.3254,-1.2959;.245,-2.6964,2.2608;-1.2775,1.6082,.7683;-4.6494,4.2341,.4827;-3.3587,5.7268,-1.0051;-1.0312,5.1579,-1.62;2.2272,1.8624,-1.9194;.4966,3.1829,1.7811;4.1826,.9987,-.6922;2.4344,2.3029,2.9892;4.2948,1.2086,1.7789; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br F O C H 3.0600 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 3008 GEPOL Volume 3242.1552 GEPOL Surface-area 1671.2155 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -3928.09965202 3607.84426265 -7535.94391467 -12613.57571810 5077.63180343 -0.02700955 -7846.88644021 3918.78678819 2.00237647 122.000066936010 122.000066936010 244.000133872021 -198.382909228250 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 -13141.5235 -1704.0716 -1535.4046 -1535.3272 -1535.3245 -675.7930 -675.7207 -525.3178 -524.6262 -523.5973 -287.3632 -281.6576 -281.5833 -281.5505 -280.8773 -280.6584 -280.0922 -280.0372 -280.0326 -279.9293 -279.9233 -279.7984 -279.7910 -279.7905 -279.7774 -279.7642 -279.7232 -279.7183 -279.6821 -279.6591 -279.6018 -279.5487 -279.1275 -279.0473 -240.1017 -180.9446 -180.6354 -180.6339 -75.1408 -75.0554 -75.0544 -74.7989 -74.7988 -39.0820 -37.0865 -33.6480 -32.8901 -31.6512 -27.0804 -26.9364 -26.5193 -25.7272 -25.2732 -24.4022 -23.9392 -23.8268 -23.7418 -23.6050 -23.0426 -22.2633 -21.9294 -21.7388 -20.8055 -20.4644 -20.3964 -19.8756 -19.7112 -19.3608 -19.1241 -18.8604 -18.6768 -18.2503 -18.0630 -17.7970 -16.8311 -16.5863 -16.3952 -16.1382 -16.0231 -15.9119 -15.7746 -15.7648 -15.5717 -15.3801 -15.3080 -15.0192 -14.9592 -14.7699 -14.5965 -14.5154 -14.3291 -14.2378 -14.1461 -13.9534 -13.7722 -13.6758 -13.4768 -13.4294 -13.1454 -12.9019 -12.7744 -12.7004 -12.5759 -12.5346 -12.4485 -12.2833 -11.9165 -11.8157 -11.7296 -11.6450 -11.5388 -11.3714 -10.9804 -10.9595 -10.7935 -9.8626 -9.5605 -9.4604 -9.3821 -9.1928 -9.0841 -8.3418 1.2572 1.3963 1.5376 1.5797 1.7283 1.8478 2.2366 3.2747 3.6560 3.7578 3.9321 4.1027 4.1961 4.2098 4.4292 4.6547 4.7296 4.7728 4.9623 5.0626 5.1176 5.2172 5.3793 5.4860 5.5541 5.6026 5.6739 5.8071 5.9258 5.9981 6.0727 6.1851 6.2786 6.3490 6.3995 6.4580 6.6715 6.7010 6.9025 6.9296 7.0181 7.1382 7.2152 7.4504 7.4846 7.6221 7.6586 7.7179 7.8336 7.9170 7.9597 8.0463 8.1455 8.2316 8.3850 8.4386 8.4673 8.5509 8.6315 8.8131 8.8232 8.9446 9.0198 9.2465 9.3306 9.4101 9.4283 9.5177 9.5494 9.6774 9.8115 10.0044 10.1006 10.1685 10.2552 10.3751 10.4376 10.4955 10.6056 10.7226 10.8758 10.9431 11.0540 11.1232 11.2675 11.3379 11.3945 11.4539 11.5211 11.6749 11.7285 11.8640 12.0302 12.1152 12.1579 12.2643 12.3989 12.5208 12.5962 12.6851 12.7885 12.8853 13.0032 13.0218 13.0712 13.1504 13.2404 13.3401 13.4822 13.5389 13.6186 13.6981 13.8207 13.8899 13.9196 13.9522 14.1306 14.2208 14.2582 14.3450 14.4506 14.5295 14.6056 14.6936 14.8414 14.8810 14.9679 14.9839 15.0839 15.1098 15.2190 15.2984 15.3816 15.5792 15.6951 15.7117 15.7895 15.8697 16.0141 16.0637 16.1619 16.2274 16.3367 16.3411 16.4756 16.5219 16.7384 16.7858 16.9376 16.9795 17.2415 17.3387 17.4448 17.5458 17.7110 17.8282 17.9380 18.0650 18.2809 18.3476 18.6713 18.8042 19.0358 19.0920 19.1290 19.1877 19.3812 19.5289 19.6895 19.8556 20.0532 20.1100 20.1962 20.2400 20.4345 20.4414 20.5955 20.6950 20.8274 20.9715 21.0347 21.1921 21.4024 21.4819 21.5802 21.6972 21.7847 21.8417 21.9467 22.0534 22.0940 22.2443 22.2825 22.4649 22.6197 22.6665 22.8107 22.9609 23.0523 23.2035 23.3358 23.4437 23.5563 23.7196 23.7571 23.9222 24.0521 24.2713 24.3882 24.4681 24.5995 24.6530 24.7980 24.9512 25.1347 25.2198 25.3681 25.4592 25.5944 25.6799 25.8513 25.9604 26.0582 26.1216 26.2088 26.3032 26.4355 26.6549 26.8202 26.9741 27.0076 27.1425 27.1829 27.2574 27.3546 27.5943 27.7878 27.8573 27.9204 28.1057 28.3422 28.5106 28.6846 28.7373 28.8867 28.9501 29.0479 29.2699 29.5057 29.5492 29.6355 29.7221 29.8306 29.9299 30.0307 30.1057 30.2842 30.4951 30.6357 30.7008 30.7775 31.0964 31.1727 31.1774 31.2547 31.4967 31.5410 31.7203 31.7992 31.9120 32.1120 32.1744 32.2628 32.4420 32.5963 32.6716 32.7038 32.9008 33.1234 33.1978 33.3475 33.3912 33.5258 33.6850 33.8194 33.9143 34.0886 34.2568 34.3514 34.4182 34.5328 34.6933 34.9729 35.1352 35.3281 35.4423 35.5192 35.6899 35.7919 36.0181 36.0925 36.1466 36.2272 36.3850 36.4793 36.5982 36.8334 37.0259 37.1048 37.1488 37.2315 37.3679 37.5461 37.6029 37.7407 37.7637 37.9771 38.0650 38.1792 38.3448 38.4902 38.6582 38.7013 38.8455 38.9831 39.1830 39.2489 39.3180 39.5128 39.5378 39.5806 39.7453 39.8831 40.1444 40.2560 40.3454 40.4078 40.4513 40.4837 40.5880 40.6876 40.8768 40.9770 41.0676 41.1564 41.2052 41.3887 41.5103 41.6252 41.6491 41.8681 41.9648 42.0937 42.2452 42.3340 42.4772 42.7070 42.7475 42.9693 43.0660 43.1904 43.3721 43.4810 43.5538 43.8261 43.9454 44.0358 44.1218 44.1480 44.2349 44.4233 44.5353 44.6079 44.7377 44.7778 44.9084 45.0261 45.0936 45.1746 45.2816 45.4107 45.7012 45.7068 45.7542 45.9133 46.0601 46.4008 46.4827 46.5937 46.6717 46.8609 46.9844 47.0908 47.2316 47.2993 47.3690 47.5540 47.7009 47.7789 47.9083 48.0682 48.1606 48.3205 48.5740 48.6157 48.6518 48.7241 48.9193 49.1579 49.2056 49.3485 49.5933 49.6451 49.8651 49.9885 50.0428 50.2316 50.2605 50.3288 50.6532 51.1147 51.2869 51.3832 51.4296 51.6607 51.7678 51.8900 52.2024 52.4744 52.6324 52.8454 52.8627 53.1857 53.2651 53.3664 53.6062 53.6819 53.7937 54.0428 54.2508 54.5253 54.8015 54.9183 55.2911 55.6091 55.7966 55.9914 56.0381 56.1146 56.5604 56.6458 56.9204 57.0036 57.1251 57.2112 57.4522 57.6055 57.7171 57.8658 58.0049 58.3547 58.3841 58.7881 59.0287 59.1431 59.3053 59.5131 59.8104 59.9772 60.0758 60.2986 60.3844 60.7572 60.9165 61.1092 61.3430 61.4604 61.5997 62.2161 62.4496 62.5456 62.7539 63.2231 63.3763 63.6482 63.8936 64.0500 64.2655 64.4275 64.6115 64.7509 64.8635 64.9691 65.2322 65.4416 65.5864 65.6682 65.7787 65.9678 66.0882 66.3413 66.5583 66.8079 67.0702 67.1918 67.5235 67.6804 67.7532 67.7926 67.9723 67.9936 68.4673 68.5152 68.6152 68.9540 69.0998 69.3565 69.5350 69.7573 69.9565 70.4552 70.7148 71.0230 71.2490 71.6444 72.0246 72.3000 72.4082 72.6705 73.0278 73.3773 73.4252 73.6075 73.8567 74.2827 74.3753 74.5419 74.7475 74.9261 75.2781 75.5457 75.6586 75.7657 75.9442 76.1214 76.3968 76.5024 76.5281 76.7174 76.8254 77.0011 77.1580 77.3106 77.6784 77.7324 77.8542 77.9631 78.0434 78.1088 78.1867 78.5239 78.5566 78.6996 78.7233 78.7672 79.0039 79.1264 79.2794 79.3800 79.4632 79.5931 79.6368 79.7491 79.9085 80.1122 80.4114 80.4873 80.6627 80.7477 80.8532 81.1390 81.2175 81.4054 81.5574 81.6410 81.8494 81.8977 82.0892 82.3295 82.3835 82.6504 82.7797 82.8708 83.0076 83.1793 83.2928 83.3468 83.4777 83.7565 83.8973 84.1593 84.1683 84.2836 84.3110 84.5041 84.7357 84.8490 84.9207 85.0449 85.2734 85.3267 85.3813 85.4268 85.5889 85.6512 85.7345 85.8416 86.0314 86.0761 86.1880 86.2434 86.3502 86.4502 86.5198 86.5823 86.7571 86.8035 86.8831 87.1154 87.2136 87.2528 87.4287 87.4689 87.6508 87.7693 87.9625 87.9865 88.1459 88.1962 88.3190 88.3718 88.4375 88.6368 88.8046 88.9652 89.1368 89.2325 89.2769 89.4578 89.5424 89.6554 89.8178 89.8538 89.9795 90.0229 90.1458 90.2044 90.3298 90.4153 90.5988 90.8266 90.9687 91.0810 91.1419 91.1973 91.3956 91.4454 91.8330 91.9120 92.0023 92.0913 92.1835 92.4086 92.5371 92.6770 92.7936 92.8719 92.9824 93.0329 93.2249 93.2490 93.3185 93.4135 93.5759 93.5979 93.8499 93.8912 93.9506 94.0533 94.3129 94.3376 94.5779 94.6491 94.7916 94.8557 94.9964 95.0572 95.1699 95.2863 95.4059 95.4891 95.5703 95.6599 95.9276 96.0074 96.0992 96.2534 96.4415 96.4747 96.6574 96.6919 96.8231 96.9742 97.0441 97.3764 97.4029 97.5436 97.6144 97.7006 97.8056 97.8837 98.0064 98.1839 98.2862 98.7321 98.8301 98.9026 99.0142 99.1294 99.2346 99.4750 99.5775 99.6947 99.7808 99.8401 100.2075 100.3675 100.4085 100.6692 100.8095 100.8607 101.2435 101.3026 101.4342 101.6497 101.7827 101.8544 101.9422 102.2541 102.3155 102.4828 102.7157 102.8367 102.9303 103.0424 103.3007 103.5059 103.6396 103.7192 104.2054 104.2519 104.3906 104.6000 104.6483 104.8669 104.9253 104.9988 105.2714 105.4064 105.5209 105.5583 105.5822 105.6718 105.8066 105.9774 106.0528 106.1256 106.1661 106.3619 106.4049 106.5645 106.6246 106.6794 106.7568 106.9304 106.9860 107.4297 107.5850 107.7398 107.8048 107.9006 108.0177 108.1952 108.2748 108.3790 108.5327 108.7799 108.8895 109.0339 109.2550 109.3972 109.4691 109.5188 109.6863 109.8848 109.9219 110.1099 110.4001 110.5753 110.7134 110.7496 110.9711 111.1198 111.3493 111.5671 111.5783 111.8805 112.1603 112.2297 112.3184 112.5090 112.7592 112.9241 112.9754 113.0976 113.2473 113.5843 113.7122 113.8264 113.9428 114.1801 114.3734 114.6143 114.7084 114.8811 114.9343 115.1955 115.3422 115.5893 115.6098 115.6781 115.8253 116.0436 116.1058 116.2651 116.4740 116.6047 116.7488 116.8290 117.0883 117.1312 117.2065 117.3730 117.4608 117.5920 117.7680 117.8737 117.9641 118.0566 118.1682 118.3128 118.4342 118.5797 118.6703 118.6885 118.8176 118.8913 118.9681 119.0697 119.2449 119.3034 119.3318 119.5331 119.6334 119.7879 119.9970 120.1437 120.3068 120.4407 120.5089 120.6746 120.7291 120.8817 120.9386 121.2009 121.4269 121.5247 121.6393 121.8270 121.9755 121.9993 122.1470 122.2083 122.4211 122.5890 122.8349 123.2791 123.3078 123.5958 123.8186 124.1242 124.3604 124.5982 125.0062 125.1468 125.7490 125.8094 126.0041 126.2031 126.3390 126.8365 126.9102 127.0659 127.4374 127.6851 127.8220 128.1774 128.6551 128.8058 128.9683 129.1389 129.4946 129.5411 129.7617 129.9039 130.1125 130.2564 130.3914 130.5866 130.7828 130.8249 130.9061 131.0853 131.2682 131.4743 131.5438 131.8655 131.9699 132.1667 132.2695 132.3468 132.5227 132.5867 132.8269 133.0569 133.2216 133.5469 133.6573 133.8458 133.9688 134.1710 134.3520 134.7894 135.0817 135.2285 135.4921 135.5156 135.7134 135.8793 136.0570 136.4523 136.8941 137.0545 137.2772 137.5782 137.7318 137.9971 138.4330 138.6245 138.7065 138.8574 138.9551 139.1731 139.3424 139.5547 139.7288 140.0794 140.3531 140.5198 140.8974 141.3792 141.6441 141.7369 142.3231 143.3396 143.7651 144.0664 144.5478 144.5657 144.6639 144.8589 145.0129 145.0853 145.3923 145.5053 145.7846 146.2632 146.6832 146.7625 146.9736 147.1126 147.2369 147.3686 147.7997 148.0112 148.1994 148.5404 148.6025 148.8384 148.8643 149.0945 149.2572 149.4332 149.7259 149.8297 150.1390 150.6158 150.8039 150.9415 151.0471 151.6545 151.9221 152.2782 152.4297 152.5121 152.9159 153.3880 153.6087 153.8386 154.1933 154.6069 154.8270 155.3063 155.4565 156.2915 156.5786 156.7792 156.9644 157.3066 157.6785 157.8750 158.0852 158.5178 158.6650 159.2229 159.3582 159.8678 160.1199 160.5080 160.7247 160.8378 161.1504 161.6546 162.8102 162.9062 163.2859 163.7916 164.4716 165.6336 166.4293 168.7263 168.9712 170.5293 170.7237 171.2328 171.5663 172.0141 172.8646 172.9032 174.4671 175.9679 177.1755 177.6594 178.7941 181.1184 183.4109 185.5431 186.5714 187.0048 187.7518 188.3234 188.4417 188.5840 188.6133 188.6452 188.8632 189.8960 190.1990 191.4004 191.4389 192.3080 194.3721 194.7842 194.8178 195.6208 196.0824 197.7122 199.8176 200.2947 201.7826 202.8925 204.3263 204.7085 206.9822 207.0740 207.3679 208.1760 210.5644 228.1811 229.8124 231.5397 232.7079 239.9314 241.8189 245.0342 245.2007 247.0449 247.7524 619.5254 621.3593 622.4585 625.6741 628.1548 631.3362 632.2574 633.7116 634.3982 634.5653 635.2467 635.4765 636.3003 636.4637 636.9249 637.5834 638.9098 640.5301 642.0691 648.4804 651.4882 657.2609 657.4555 658.4259 1210.7018 1212.0174 1216.0309 1557.1402 1560.5651 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 -0.086672 -0.156768 -0.151201 -0.387386 -0.278088 -0.333252 0.397180 -0.091233 -0.047967 -0.338435 -0.366299 -0.246796 -0.180485 0.074189 -0.174015 -0.168887 0.206358 0.039722 -0.308203 -0.225206 0.376268 -0.106105 -0.283701 0.441608 0.340911 -0.274332 -0.230037 -0.113903 -0.138880 -0.206599 0.112992 0.112752 0.103008 0.108485 0.105390 0.104138 0.096483 0.110534 0.141038 0.147409 0.098742 0.108798 0.160238 0.152263 0.134523 0.142693 0.160302 0.145615 0.144345 0.159767 0.149480 0.161374 0.157846 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 35.0867 9.1568 9.1512 8.3874 8.2781 8.3333 5.6028 6.0912 6.0480 6.3384 6.3663 6.2468 6.1805 5.9258 6.1740 6.1689 5.7936 5.9603 6.3082 6.2252 5.6237 6.1061 6.2837 5.5584 5.6591 6.2743 6.2300 6.1139 6.1389 6.2066 0.8870 0.8872 0.8970 0.8915 0.8946 0.8959 0.9035 0.8895 0.8590 0.8526 0.9013 0.8912 0.8398 0.8477 0.8655 0.8573 0.8397 0.8544 0.8557 0.8402 0.8505 0.8386 0.8422 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 -0.0867 -0.1568 -0.1512 -0.3874 -0.2781 -0.3333 0.3972 -0.0912 -0.0480 -0.3384 -0.3663 -0.2468 -0.1805 0.0742 -0.1740 -0.1689 0.2064 0.0397 -0.3082 -0.2252 0.3763 -0.1061 -0.2837 0.4416 0.3409 -0.2743 -0.2300 -0.1139 -0.1389 -0.2066 0.1130 0.1128 0.1030 0.1085 0.1054 0.1041 0.0965 0.1105 0.1410 0.1474 0.0987 0.1088 0.1602 0.1523 0.1345 0.1427 0.1603 0.1456 0.1443 0.1598 0.1495 0.1614 0.1578 1.1763 1.1384 1.1414 1.9124 2.0733 2.0645 3.5568 3.9368 3.6197 3.9254 3.9243 4.0532 3.9613 3.8838 3.9882 4.1056 3.6629 3.5998 3.9564 3.9570 3.5790 3.8701 4.0346 4.5608 3.6092 3.9137 3.8952 3.8174 3.8812 3.8802 0.9826 1.0037 1.0017 1.0024 1.0026 1.0061 1.0107 0.9991 1.0087 0.9963 0.9989 0.9898 0.9955 1.0054 1.0121 1.0020 0.9880 1.0079 1.0111 0.9970 0.9947 0.9887 0.9915 1.1763 1.1384 1.1414 1.9124 2.0733 2.0645 3.5568 3.9368 3.6197 3.9254 3.9243 4.0532 3.9613 3.8838 3.9882 4.1056 3.6629 3.5998 3.9564 3.9570 3.5790 3.8701 4.0346 4.5608 3.6092 3.9137 3.8952 3.8174 3.8812 3.8802 0.9826 1.0037 1.0017 1.0024 1.0026 1.0061 1.0107 0.9991 1.0087 0.9963 0.9989 0.9898 0.9955 1.0054 1.0121 1.0020 0.9880 1.0079 1.0111 0.9970 0.9947 0.9887 0.9915 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.0678 1.1121 1.1413 0.9318 0.9746 0.7497 1.1851 0.9264 0.9620 0.9238 0.8796 0.9273 0.9009 0.9938 0.9796 1.3371 1.3507 0.9826 0.9930 0.9861 0.9935 0.9913 1.0025 1.5101 1.0005 1.4731 0.9746 0.8995 1.0295 0.9656 1.3434 0.9710 1.4579 0.9781 1.3647 1.3847 1.3407 0.9720 1.4213 0.9906 1.3726 1.4324 0.9824 0.9892 1.3088 1.3414 1.4121 1.0061 1.4105 0.9759 1.3640 0.9997 1.4139 0.9799 0.9953 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 -0.033428634 -3928.133080652246 -73.84351 71.66403 -2.17948 41.60255 -41.05255 0.55000 21.57487 -21.50395 0.07092 2.24892 5.71631