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 Br Br Br Br O O O N 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 1 1 1 1 2 2 2 3 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 5 645.8563000000003 AuxInfo=1/0/N:13,14,30,28,29,23,21,26,27,24,20,19,18,25,22,17,10,11,12,15,9,16,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,15.3,20.3,27.1,28.1/rA:49nBrBrBrBrOO1ON1CCCCCCC3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s1s10;s9;s9;s5s6s11;s2s3s4s12;s5;s17;s8s17;s18;s18;s7s20;s21;s22s23;s7;s25;s25;s26;s27;s28s29;s10;s11;s12;s13;s13;s13;s14;s14;s14;s17;s20;s21;s23;s24;s26;s27;s28;s29;s30;/rC:3.6589,-.471,-.5105;.844,1.4729,-.1048;-.2238,-.5532,2.0356;2.5451,.8426,2.4673;-1.5234,-2.3238,-1.3119;-1.8233,-3.711,.4183;-2.6357,2.7181,-.1503;-3.5112,-1.489,-3.8309;1.4676,-3.1535,-1.1439;1.1696,-1.8131,-.5532;.3768,-3.0167,-.1003;2.0562,-1.0991,.4228;2.683,-3.9361,-.7018;1.1393,-3.3645,-2.6023;-1.0878,-3.0831,-.2899;1.3714,.0851,1.1293;-2.9192,-2.0487,-1.3491;-3.2469,-.8882,-.4414;-3.2349,-1.7417,-2.7452;-2.7732,.3789,-.7638;-3.9642,-1.1015,.7241;-3.0581,1.4484,.0718;-4.2237,-.0268,1.5645;-3.7843,1.2429,1.2412;-2.3024,3.1629,-1.3981;-3.0649,2.8777,-2.5241;-1.1885,3.9858,-1.4929;-2.6826,3.3967,-3.7514;-.8241,4.5058,-2.7257;-1.5617,4.2064,-3.861;.6471,-1.1481,-1.232;.6456,-3.4342,.8637;2.4111,-1.7763,1.2039;3.5597,-3.6444,-1.2799;2.9232,-3.8012,.3528;2.5164,-5.0024,-.8604;.9146,-4.4142,-2.7974;.2952,-2.7713,-2.9448;2.0016,-3.0915,-3.212;-3.4966,-2.9309,-1.0573;-2.193,.5258,-1.6663;-4.3102,-2.094,.9794;-4.783,-.1796,2.4775;-3.993,2.084,1.8889;-3.9483,2.2566,-2.4525;-.6279,4.2308,-.5999;-3.2734,3.1652,-4.6276;.0447,5.1468,-2.7954;-1.2706,4.6061,-4.8227; 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 1715 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 322 Dim 1264 ENuc 6077.7749898389 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.566e-06 Time for diagonalization 0.688 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.619 sec Total time needed 1.321 sec 35 35 35 35 8 8 8 7 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 1 645.8563000000003 AuxInfo=1/0/N:13,14,30,28,29,23,21,26,27,24,20,19,18,25,22,17,10,11,12,15,9,16,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,15.3,20.3,27.1,28.1/rA:49nBrBrBrBrOO1ON1CCCCCCC3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s1s10;s9;s9;s5s6s11;s2s3s4s12;s5;s17;s8s17;s18;s18;s7s20;s21;s22s23;s7;s25;s25;s26;s27;s28s29;s10;s11;s12;s13;s13;s13;s14;s14;s14;s17;s20;s21;s23;s24;s26;s27;s28;s29;s30;/rC:3.6589,-.471,-.5105;.844,1.4729,-.1048;-.2238,-.5532,2.0356;2.5451,.8426,2.4673;-1.5234,-2.3238,-1.3119;-1.8233,-3.711,.4183;-2.6357,2.7181,-.1503;-3.5112,-1.489,-3.8309;1.4676,-3.1535,-1.1439;1.1696,-1.8131,-.5532;.3768,-3.0167,-.1003;2.0562,-1.0991,.4228;2.683,-3.9361,-.7018;1.1393,-3.3645,-2.6023;-1.0878,-3.0831,-.2899;1.3714,.0851,1.1293;-2.9192,-2.0487,-1.3491;-3.2469,-.8882,-.4414;-3.2349,-1.7417,-2.7452;-2.7732,.3789,-.7638;-3.9642,-1.1015,.7241;-3.0581,1.4484,.0718;-4.2237,-.0268,1.5645;-3.7843,1.2429,1.2412;-2.3024,3.1629,-1.3981;-3.0649,2.8777,-2.5241;-1.1885,3.9858,-1.4929;-2.6826,3.3967,-3.7514;-.8241,4.5058,-2.7257;-1.5617,4.2064,-3.861;.6471,-1.1481,-1.232;.6456,-3.4342,.8637;2.4111,-1.7763,1.2039;3.5597,-3.6444,-1.2799;2.9232,-3.8012,.3528;2.5164,-5.0024,-.8604;.9146,-4.4142,-2.7974;.2952,-2.7713,-2.9448;2.0016,-3.0915,-3.212;-3.4966,-2.9309,-1.0573;-2.193,.5258,-1.6663;-4.3102,-2.094,.9794;-4.783,-.1796,2.4775;-3.993,2.084,1.8889;-3.9483,2.2566,-2.4525;-.6279,4.2308,-.5999;-3.2734,3.1652,-4.6276;.0447,5.1468,-2.7954;-1.2706,4.6061,-4.8227; 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 4 645.8563000000003 AuxInfo=1/0/N:13,14,30,28,29,23,21,26,27,24,20,19,18,25,22,17,10,11,12,15,9,16,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,15.3,20.3,27.1,28.1/rA:49nBrBrBrBrOO1ON1CCCCCCC3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s1s10;s9;s9;s5s6s11;s2s3s4s12;s5;s17;s8s17;s18;s18;s7s20;s21;s22s23;s7;s25;s25;s26;s27;s28s29;s10;s11;s12;s13;s13;s13;s14;s14;s14;s17;s20;s21;s23;s24;s26;s27;s28;s29;s30;/rC:3.6589,-.471,-.5105;.844,1.4729,-.1048;-.2238,-.5532,2.0356;2.5451,.8426,2.4673;-1.5234,-2.3238,-1.3119;-1.8233,-3.711,.4183;-2.6357,2.7181,-.1503;-3.5112,-1.489,-3.8309;1.4676,-3.1535,-1.1439;1.1696,-1.8131,-.5532;.3768,-3.0167,-.1003;2.0562,-1.0991,.4228;2.683,-3.9361,-.7018;1.1393,-3.3645,-2.6023;-1.0878,-3.0831,-.2899;1.3714,.0851,1.1293;-2.9192,-2.0487,-1.3491;-3.2469,-.8882,-.4414;-3.2349,-1.7417,-2.7452;-2.7732,.3789,-.7638;-3.9642,-1.1015,.7241;-3.0581,1.4484,.0718;-4.2237,-.0268,1.5645;-3.7843,1.2429,1.2412;-2.3024,3.1629,-1.3981;-3.0649,2.8777,-2.5241;-1.1885,3.9858,-1.4929;-2.6826,3.3967,-3.7514;-.8241,4.5058,-2.7257;-1.5617,4.2064,-3.861;.6471,-1.1481,-1.232;.6456,-3.4342,.8637;2.4111,-1.7763,1.2039;3.5597,-3.6444,-1.2799;2.9232,-3.8012,.3528;2.5164,-5.0024,-.8604;.9146,-4.4142,-2.7974;.2952,-2.7713,-2.9448;2.0016,-3.0915,-3.212;-3.4966,-2.9309,-1.0573;-2.193,.5258,-1.6663;-4.3102,-2.094,.9794;-4.783,-.1796,2.4775;-3.993,2.084,1.8889;-3.9483,2.2566,-2.4525;-.6279,4.2308,-.5999;-3.2734,3.1652,-4.6276;.0447,5.1468,-2.7954;-1.2706,4.6061,-4.8227; -11427.11153617 6077.77498984 -17504.88652601 -27986.39589930 10481.50937329 -22834.83125819 11407.71972202 2.00169989 161.000033726400 161.000033726400 322.000067452800 -389.818326093239 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -13141.8184 -13141.7929 -13141.7500 -13141.3861 -1704.3497 -1704.3212 -1704.2897 -1703.9266 -1535.6901 -1535.6612 -1535.6270 -1535.6028 -1535.6022 -1535.5757 -1535.5727 -1535.5442 -1535.5416 -1535.2613 -1535.1848 -1535.1816 -525.3506 -524.8062 -523.4504 -392.8483 -284.7703 -283.8167 -283.0552 -282.5792 -281.9395 -281.7039 -281.0775 -281.0635 -280.8340 -280.7345 -280.7112 -280.2456 -280.2121 -280.1393 -280.1117 -280.0240 -280.0128 -279.9551 -279.9276 -279.9152 -279.8309 -279.7426 -240.3676 -240.3399 -240.3152 -239.9452 -181.2373 -181.2102 -181.1842 -180.8879 -180.8827 -180.8606 -180.8538 -180.8367 -180.8303 -180.7961 -180.4752 -180.4715 -75.4273 -75.4008 -75.3751 -75.3324 -75.3285 -75.3060 -75.2998 -75.2800 -75.2748 -75.0416 -75.0413 -75.0135 -75.0129 -74.9901 -74.9896 -74.9882 -74.9016 -74.8993 -74.6354 -74.6348 -34.2891 -33.2084 -31.6819 -28.5940 -28.3388 -27.7454 -27.3789 -26.8412 -25.6272 -25.4401 -24.6506 -24.6427 -24.3899 -23.9984 -23.8583 -23.6559 -23.2132 -22.7171 -22.4776 -21.3738 -20.9260 -20.3407 -19.8795 -19.5886 -19.3089 -19.1714 -18.6955 -18.2976 -18.0104 -17.1370 -16.8857 -16.5783 -16.5336 -16.3166 -16.1920 -16.1063 -15.9426 -15.6062 -15.4795 -15.3065 -15.0529 -14.9715 -14.7702 -14.5370 -14.5319 -14.3288 -14.1819 -14.0019 -13.8406 -13.7054 -13.5335 -13.4345 -13.2728 -13.2251 -13.1294 -13.0186 -12.9061 -12.6961 -12.5050 -12.3773 -12.2888 -12.1500 -11.9559 -11.6834 -11.6731 -11.4697 -11.4232 -11.2024 -11.0105 -10.8506 -10.7119 -10.4996 -10.2516 -10.1577 -9.9722 -9.7908 -9.6295 -9.5581 -8.5736 0.2708 0.6970 0.7983 1.2296 1.3174 1.6465 1.7549 1.9538 2.4688 2.5229 2.9076 2.9807 3.0481 3.4264 3.6184 3.7303 3.8301 4.0697 4.2095 4.2334 4.3968 4.5087 4.6344 4.7690 4.8157 4.8841 5.0462 5.1613 5.2007 5.4090 5.5477 5.6055 5.6896 5.7355 5.9464 5.9672 6.0962 6.2103 6.3027 6.4300 6.4865 6.5972 6.6719 6.7497 6.7944 7.0890 7.2363 7.2706 7.2897 7.3596 7.4584 7.5187 7.6402 7.7255 7.8206 7.9663 7.9905 8.0419 8.2238 8.2362 8.3136 8.3782 8.4546 8.4809 8.5884 8.6495 8.6833 8.8003 8.8832 8.9284 8.9500 9.1222 9.1341 9.3851 9.4438 9.5525 9.6267 9.7658 9.8133 9.8314 9.9669 10.0838 10.2004 10.2919 10.4831 10.5993 10.7509 10.7986 10.8736 10.9781 11.0061 11.1897 11.2190 11.3367 11.3990 11.5042 11.6022 11.6918 11.7559 11.8192 11.9057 12.0484 12.1626 12.2205 12.3017 12.3623 12.4524 12.4980 12.6501 12.6749 12.7284 12.7689 12.8724 12.9439 12.9842 13.2041 13.3156 13.3759 13.4964 13.5785 13.6649 13.7303 13.7977 13.8678 13.9335 14.0075 14.1259 14.2139 14.3954 14.4061 14.5557 14.5856 14.6712 14.7758 14.8943 15.0348 15.0565 15.1181 15.2254 15.2795 15.4257 15.5327 15.5927 15.6850 15.7929 15.8082 15.8598 16.0137 16.0919 16.1491 16.2067 16.2858 16.3343 16.4138 16.5638 16.7262 16.7452 16.8447 17.0496 17.0645 17.2215 17.3160 17.3987 17.5967 17.7910 17.8629 17.9731 18.0619 18.2045 18.2962 18.5533 18.6790 18.7627 18.9931 19.0360 19.2990 19.3335 19.4831 19.8022 19.8335 20.0018 20.0294 20.2359 20.2560 20.4143 20.4868 20.5476 20.6233 20.7069 20.8181 20.9014 21.0114 21.2078 21.3949 21.4907 21.5828 21.6134 21.7494 21.8424 21.8808 22.0250 22.1606 22.2365 22.5592 22.5969 22.7321 22.8936 22.9818 23.1727 23.3209 23.4789 23.5805 23.7064 23.7815 23.9280 24.1202 24.2557 24.3900 24.6743 24.7579 24.8446 24.9773 25.1814 25.2235 25.3884 25.4086 25.5427 25.7454 25.9625 26.0759 26.2388 26.3717 26.5603 26.6854 26.9104 26.9774 27.0355 27.0870 27.2912 27.4498 27.5577 27.5960 27.8344 27.9077 28.1952 28.3131 28.3315 28.4963 28.5996 28.8450 28.9091 29.0297 29.1081 29.1569 29.3781 29.4736 29.5554 29.6193 29.7815 29.8475 29.9882 30.0641 30.2713 30.4585 30.5583 30.7803 30.8952 31.1481 31.1824 31.4610 31.5785 31.6548 31.7898 31.8979 32.0393 32.0888 32.3059 32.4719 32.5773 32.5934 32.6830 32.7772 32.9941 33.0458 33.1522 33.3931 33.5164 33.5345 33.6238 33.8070 33.9398 34.0605 34.2729 34.5633 34.6793 34.6948 34.8833 34.9685 35.1428 35.3681 35.4775 35.4971 35.6754 35.6991 35.9161 35.9221 36.1190 36.2539 36.3280 36.5232 36.6983 36.7183 36.8605 37.0195 37.0818 37.2649 37.3657 37.4271 37.5841 37.7578 37.7672 37.8487 37.9778 38.1253 38.2240 38.2880 38.3549 38.4463 38.6026 38.6966 38.8207 38.9133 38.9565 39.0049 39.0673 39.1593 39.3082 39.3753 39.5186 39.7001 39.8348 39.9490 39.9639 40.0687 40.2303 40.3775 40.4233 40.5115 40.6226 40.6807 40.7584 40.9481 41.0128 41.1261 41.2186 41.3155 41.4030 41.5908 41.6870 41.7971 41.9961 42.0805 42.2343 42.3342 42.4305 42.5186 42.5948 42.6367 42.7462 42.8626 43.0209 43.0876 43.2699 43.3673 43.4606 43.5129 43.6146 43.6758 43.8564 43.9275 43.9924 44.1258 44.2098 44.3790 44.4170 44.5004 44.5635 44.6309 44.7926 44.8897 44.9849 45.1098 45.1747 45.3219 45.3969 45.5318 45.6451 45.7330 45.8111 45.8859 45.9805 46.1044 46.2593 46.3968 46.4389 46.6392 46.6928 46.8411 46.8500 46.9552 47.0030 47.1791 47.2781 47.3425 47.5481 47.6137 47.7147 47.9579 48.0545 48.1831 48.2427 48.5232 48.5799 48.6862 48.7375 48.8223 48.9927 49.2007 49.2783 49.4588 49.5092 49.6448 49.7986 49.8888 49.9680 50.1180 50.2607 50.5270 50.5413 50.6401 50.8412 51.1051 51.2604 51.3461 51.3948 51.6264 51.7404 51.9131 52.1530 52.3586 52.4363 52.5010 52.7685 52.8705 52.9473 53.1203 53.2459 53.5001 53.6142 53.8500 54.0203 54.0973 54.3853 54.6030 54.7668 55.0019 55.1423 55.2452 55.4956 55.6098 55.7497 55.8531 55.9879 56.1979 56.2921 56.4159 56.4996 56.7337 56.8735 57.1357 57.3170 57.5318 57.7392 57.9459 58.1534 58.3683 58.5031 58.5986 58.7753 59.0100 59.1844 59.5018 59.6636 59.8102 60.1513 60.3128 60.4557 60.6881 60.6914 61.1392 61.5545 61.6618 61.8078 62.4155 62.5367 62.6501 62.9768 63.3382 63.4201 63.8410 63.9178 64.0762 64.1753 64.2757 64.5681 64.7804 65.0829 65.3788 65.5178 65.6807 65.8405 66.0621 66.5588 66.6254 66.7880 66.9484 67.2614 67.5937 67.8320 67.9256 67.9912 68.0880 68.4618 68.7748 68.9443 68.9960 69.1703 69.4683 69.7266 70.4016 70.4596 70.9952 71.1765 71.4652 71.8495 72.0573 72.2149 72.4115 72.6386 72.8211 72.9945 73.1292 73.3857 73.5419 73.6975 74.0180 74.0995 74.3329 74.6370 74.6867 75.0680 75.1739 75.4643 75.6024 75.7564 75.8497 75.9255 76.3527 76.4336 76.6160 76.8568 76.9133 76.9715 77.2430 77.3184 77.5155 77.5928 77.6195 78.1155 78.1981 78.3958 78.6024 78.6815 78.6926 79.0347 79.0893 79.1758 79.2498 79.2789 79.3953 79.6362 79.7138 79.8924 80.1138 80.2767 80.3954 80.6539 81.1738 81.2364 81.3530 81.3914 81.4829 81.7519 81.7958 81.8894 82.1351 82.2796 82.4682 82.6122 82.6801 82.7939 82.9778 83.1016 83.1593 83.3483 83.4641 83.5611 83.5813 84.0052 84.3301 84.4142 84.6240 84.7428 84.8129 84.9165 84.9634 85.0728 85.2182 85.3639 85.4329 85.4623 85.5649 85.7532 85.7588 85.9205 86.0200 86.0806 86.3141 86.4852 86.5485 86.6449 86.8212 86.9128 87.0329 87.2351 87.3001 87.4140 87.6664 87.6943 88.1651 88.2458 88.3699 88.4072 88.4905 88.6723 88.7507 88.8628 88.8987 89.1456 89.2060 89.2597 89.2797 89.4089 89.5430 89.7139 89.9244 89.9974 90.2538 90.4531 90.5824 90.8511 90.9140 90.9304 91.1760 91.4048 91.4259 91.6706 91.8380 91.8794 92.0096 92.1587 92.2684 92.4332 92.5239 92.6718 92.7010 92.7689 92.9276 93.0500 93.1954 93.2862 93.3434 93.5094 93.5502 93.7804 93.9908 94.0751 94.2276 94.3075 94.4958 94.5576 94.6719 94.9062 95.0286 95.1791 95.3541 95.4192 95.6479 95.6928 95.7483 95.8348 95.8983 96.1889 96.3421 96.5511 96.6398 96.7236 96.9296 96.9686 97.0201 97.2760 97.3279 97.4333 97.5564 97.7518 97.9003 98.1167 98.2819 98.3861 98.6203 98.7059 98.8186 98.8920 98.9378 99.0350 99.1108 99.3502 99.4556 99.5975 99.8206 99.9971 100.2112 100.4130 100.5658 100.7808 100.8083 101.1767 101.5271 101.5809 101.9207 102.1482 102.4080 102.5725 102.6731 102.9206 102.9689 103.2706 103.4161 103.6736 103.8331 103.9074 104.0840 104.1965 104.3975 104.8548 104.8979 105.0868 105.1684 105.3448 105.3489 105.5754 105.6604 105.7184 105.7874 105.9166 105.9531 106.1112 106.2981 106.6599 106.7231 106.8084 107.0576 107.1058 107.2092 107.3972 107.6142 107.7140 107.9438 108.1424 108.3028 108.4612 108.7855 108.8641 108.9412 109.1650 109.5630 109.6841 109.9582 109.9833 110.0610 110.2034 110.3929 110.4630 110.5463 110.6176 110.7944 110.8975 111.1522 111.3219 111.5579 111.6132 111.7932 112.0044 112.0772 112.4050 112.6731 112.7920 112.8730 113.0224 113.2013 113.3029 113.3148 113.5691 113.7802 113.9352 114.1239 114.2083 114.4389 114.5111 114.6394 114.8236 115.0181 115.1330 115.2568 115.3403 115.4301 115.6449 115.8067 116.0311 116.1687 116.2361 116.3272 116.5088 116.5901 116.6048 116.6885 116.8852 116.9133 117.0656 117.4036 117.4746 117.6432 117.6816 117.7729 117.9912 118.1720 118.2067 118.3201 118.3374 118.4053 118.5463 118.6544 118.7576 118.8284 118.9656 119.0791 119.2558 119.4382 119.5619 119.6904 119.7716 119.9447 120.0935 120.1452 120.3917 120.5824 120.6106 120.7103 120.9105 121.0476 121.2599 121.5634 121.6953 121.8684 122.1207 122.2302 122.3869 122.5733 122.5873 122.8399 123.1666 123.6036 123.9198 124.0239 124.2995 124.4231 124.6200 124.9186 125.1838 125.2693 125.8051 126.0201 126.3023 126.4505 126.7605 126.8487 127.0123 127.3585 127.4806 127.8944 127.9798 128.0757 128.7439 128.8955 128.9510 128.9935 129.1291 129.2320 129.2948 129.6075 129.8369 130.1178 130.2615 130.4762 130.6870 130.7184 130.8897 130.9798 131.1635 131.6168 131.7405 131.8377 132.1680 132.2775 132.3843 132.5083 132.5959 132.8794 133.1552 133.2828 133.6047 133.8799 134.0422 134.3245 134.6128 134.7861 135.1505 135.2739 135.4147 135.9875 136.2678 136.6388 136.9387 136.9609 137.5057 137.7730 138.1268 138.2575 138.3776 138.7975 138.8801 139.2329 139.4062 139.5073 140.0376 140.2373 140.6979 140.7687 141.2963 141.3088 141.8831 142.3397 142.4691 143.2143 143.4090 143.4950 144.0380 144.2078 144.2277 144.4858 144.6337 144.7623 145.0130 145.2005 145.3099 145.5349 146.1405 146.2166 146.4594 146.5890 146.9945 147.5310 147.6401 147.7957 148.0408 148.1997 148.3330 148.5828 148.8067 148.9993 149.4831 149.6389 150.1672 150.3002 150.5575 150.6980 151.3397 151.5725 152.0789 152.1624 152.4282 152.8977 153.4971 154.0331 154.3951 154.4885 155.1867 155.4512 155.5092 155.8222 156.3250 156.6481 157.0434 157.4241 157.4675 157.6381 157.8274 158.5555 158.8967 159.1930 159.7015 159.7789 160.1366 160.6363 160.9359 161.0902 161.8126 162.1353 162.6826 163.0574 164.4421 166.3174 167.2267 168.2077 169.0638 169.7451 171.8604 172.4932 172.7412 173.0701 174.4250 176.0560 177.3366 178.1482 178.9084 181.4874 181.9556 185.7147 186.7028 187.3978 187.6097 188.5026 189.3994 192.4035 193.1550 193.7392 194.9077 196.4385 198.9322 203.0113 205.8504 207.0819 207.2305 210.6239 212.2620 213.7319 216.2958 606.1219 618.3197 621.4218 624.8928 627.4383 630.7864 631.9281 632.1580 632.3209 634.1637 634.6005 635.2588 636.7140 636.9891 637.6864 640.3365 642.9500 643.5117 647.2842 650.5654 657.2622 658.2413 877.8311 1199.8069 1212.9830 1216.2940 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 Br Br Br Br O O O N 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 -0.060549 -0.014147 -0.008704 0.002797 -0.272045 -0.340062 -0.285173 -0.002270 0.088333 -0.094321 -0.116195 -0.178331 -0.250082 -0.243950 0.311248 0.079361 0.321955 0.045924 -0.275555 -0.280447 -0.149489 0.296083 -0.087431 -0.215913 0.310528 -0.217008 -0.295368 -0.091884 -0.062497 -0.155289 0.113206 0.103066 0.148263 0.101085 0.075702 0.103870 0.094268 0.094956 0.094071 0.126159 0.133408 0.117674 0.129192 0.127104 0.138993 0.150599 0.132946 0.129108 0.126811 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 Br Br Br Br O O O N 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 35.0605 35.0141 35.0087 34.9972 8.2720 8.3401 8.2852 7.0023 5.9117 6.0943 6.1162 6.1783 6.2501 6.2439 5.6888 5.9206 5.6780 5.9541 6.2756 6.2804 6.1495 5.7039 6.0874 6.2159 5.6895 6.2170 6.2954 6.0919 6.0625 6.1553 0.8868 0.8969 0.8517 0.8989 0.9243 0.8961 0.9057 0.9050 0.9059 0.8738 0.8666 0.8823 0.8708 0.8729 0.8610 0.8494 0.8671 0.8709 0.8732 35.0000 35.0000 35.0000 35.0000 8.0000 8.0000 8.0000 7.0000 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 -0.0605 -0.0141 -0.0087 0.0028 -0.2720 -0.3401 -0.2852 -0.0023 0.0883 -0.0943 -0.1162 -0.1783 -0.2501 -0.2439 0.3112 0.0794 0.3220 0.0459 -0.2756 -0.2804 -0.1495 0.2961 -0.0874 -0.2159 0.3105 -0.2170 -0.2954 -0.0919 -0.0625 -0.1553 0.1132 0.1031 0.1483 0.1011 0.0757 0.1039 0.0943 0.0950 0.0941 0.1262 0.1334 0.1177 0.1292 0.1271 0.1390 0.1506 0.1329 0.1291 0.1268 1.2027 1.2382 1.2378 1.2387 2.0968 2.1614 2.1197 3.1106 3.8711 3.6875 3.8714 4.1213 3.9138 3.9080 4.2669 4.2955 3.8395 3.6181 4.0226 3.9612 3.9925 3.7622 3.9312 4.0520 3.7117 3.9729 4.0057 3.9310 3.9230 3.9886 1.0423 1.0255 1.0013 1.0075 1.0078 1.0051 1.0022 1.0157 1.0041 1.0192 1.0126 1.0191 0.9995 1.0136 1.0033 1.0086 0.9985 0.9986 1.0004 1.2027 1.2382 1.2378 1.2387 2.0968 2.1614 2.1197 3.1106 3.8711 3.6875 3.8714 4.1213 3.9138 3.9080 4.2669 4.2955 3.8395 3.6181 4.0226 3.9612 3.9925 3.7622 3.9312 4.0520 3.7117 3.9729 4.0057 3.9310 3.9230 3.9886 1.0423 1.0255 1.0013 1.0075 1.0078 1.0051 1.0022 1.0157 1.0041 1.0192 1.0126 1.0191 0.9995 1.0136 1.0033 1.0086 0.9985 0.9986 1.0004 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 1.0780 1.0674 1.0513 1.1176 1.1292 0.8881 2.0043 1.0133 0.9587 3.0527 0.9367 0.9119 0.9548 0.9501 0.8817 0.8846 0.9802 1.0166 1.0112 0.9869 0.9976 0.9952 0.9825 0.9894 0.9935 0.9839 0.9888 0.8962 0.9277 0.9995 1.3460 1.3957 1.3578 0.9634 1.4275 0.9713 1.3990 1.4635 0.9810 0.9738 1.3547 1.3771 1.4365 0.9732 1.4419 0.9654 1.4333 0.9697 1.4339 0.9714 0.9778 0 11 1 15 2 15 3 15 4 14 4 16 5 14 6 21 6 24 7 18 8 9 8 10 8 12 8 13 9 10 9 11 9 30 10 14 10 31 11 15 11 32 12 33 12 34 12 35 13 36 13 37 13 38 16 17 16 18 16 39 17 19 17 20 19 21 19 40 20 22 20 41 21 23 22 23 22 42 23 43 24 25 24 26 25 27 25 44 26 28 26 45 27 29 27 46 28 29 28 47 29 48 -0.036131372 -11427.147667541725 -73.73762 74.21731 0.47968 -23.06587 22.85224 -0.21363 -58.42604 58.89432 0.46828 0.70357 1.78834