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:3.6489,-2.8668,-.5179;1.7721,-.4778,-2.1446;.8024,.6184,.6343;3.8631,.5309,-.0248;-1.8418,-2.3715,.0374;-2.1192,-1.7277,2.162;-3.6631,2.801,1.0425;-3.9383,-3.1223,-2.4001;.7091,-3.8018,1.1386;.974,-2.5732,.3275;.0126,-2.501,1.4877;2.2628,-1.8083,.3733;1.7165,-4.2839,2.157;-.0316,-4.934,.4699;-1.4162,-2.1681,1.2969;2.1877,-.4068,-.2587;-3.1011,-1.8008,-.3079;-2.932,-.3297,-.5973;-3.5617,-2.546,-1.4809;-3.4165,.601,.3061;-2.2188,.0813,-1.7181;-3.19,1.956,.0907;-1.9936,1.4308,-1.9179;-2.47,2.3757,-1.0204;-3.9083,4.1122,.7394;-3.3064,5.0835,1.5232;-4.7812,4.4652,-.2816;-3.5867,6.4214,1.2865;-5.045,5.8056,-.5142;-4.4516,6.7877,.2669;.5134,-2.5913,-.654;.384,-2.0425,2.3975;2.6054,-1.6722,1.4023;2.4618,-4.9274,1.6898;2.2459,-3.4719,2.6554;1.213,-4.8627,2.9325;.6833,-5.6017,-.0128;-.587,-5.5185,1.205;-.7317,-4.5995,-.2918;-3.8289,-1.9508,.4952;-3.9541,.287,1.1915;-1.8378,-.643,-2.4263;-1.4277,1.7591,-2.779;-2.2745,3.4264,-1.1886;-2.6326,4.7882,2.3165;-5.2549,3.7004,-.884;-3.1211,7.1794,1.9021;-5.7268,6.0823,-1.3073;-4.6666,7.8317,.0838; 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 5808.0573347264 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 6.598e-06 Time for diagonalization 0.554 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.559 sec Total time needed 1.122 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:3.6489,-2.8668,-.5179;1.7721,-.4778,-2.1446;.8024,.6184,.6343;3.8631,.5309,-.0248;-1.8418,-2.3715,.0374;-2.1192,-1.7277,2.162;-3.6631,2.801,1.0425;-3.9383,-3.1223,-2.4001;.7091,-3.8018,1.1386;.974,-2.5732,.3275;.0126,-2.501,1.4877;2.2628,-1.8083,.3733;1.7165,-4.2839,2.157;-.0316,-4.934,.4699;-1.4162,-2.1681,1.2969;2.1877,-.4068,-.2587;-3.1011,-1.8008,-.3079;-2.932,-.3297,-.5973;-3.5617,-2.546,-1.4809;-3.4165,.601,.3061;-2.2188,.0813,-1.7181;-3.19,1.956,.0907;-1.9936,1.4308,-1.9179;-2.47,2.3757,-1.0204;-3.9083,4.1122,.7394;-3.3064,5.0835,1.5232;-4.7812,4.4652,-.2816;-3.5867,6.4214,1.2865;-5.045,5.8056,-.5142;-4.4516,6.7877,.2669;.5134,-2.5913,-.654;.384,-2.0425,2.3975;2.6054,-1.6722,1.4023;2.4618,-4.9274,1.6898;2.2459,-3.4719,2.6554;1.213,-4.8627,2.9325;.6833,-5.6017,-.0128;-.587,-5.5185,1.205;-.7317,-4.5995,-.2918;-3.8289,-1.9508,.4952;-3.9541,.287,1.1915;-1.8378,-.643,-2.4263;-1.4277,1.7591,-2.779;-2.2745,3.4264,-1.1886;-2.6326,4.7882,2.3165;-5.2549,3.7004,-.884;-3.1211,7.1794,1.9021;-5.7268,6.0823,-1.3073;-4.6666,7.8317,.0838; 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:3.6489,-2.8668,-.5179;1.7721,-.4778,-2.1446;.8024,.6184,.6343;3.8631,.5309,-.0248;-1.8418,-2.3715,.0374;-2.1192,-1.7277,2.162;-3.6631,2.801,1.0425;-3.9383,-3.1223,-2.4001;.7091,-3.8018,1.1386;.974,-2.5732,.3275;.0126,-2.501,1.4877;2.2628,-1.8083,.3733;1.7165,-4.2839,2.157;-.0316,-4.934,.4699;-1.4162,-2.1681,1.2969;2.1877,-.4068,-.2587;-3.1011,-1.8008,-.3079;-2.932,-.3297,-.5973;-3.5617,-2.546,-1.4809;-3.4165,.601,.3061;-2.2188,.0813,-1.7181;-3.19,1.956,.0907;-1.9936,1.4308,-1.9179;-2.47,2.3757,-1.0204;-3.9083,4.1122,.7394;-3.3064,5.0835,1.5232;-4.7812,4.4652,-.2816;-3.5867,6.4214,1.2865;-5.045,5.8056,-.5142;-4.4516,6.7877,.2669;.5134,-2.5913,-.654;.384,-2.0425,2.3975;2.6054,-1.6722,1.4023;2.4618,-4.9274,1.6898;2.2459,-3.4719,2.6554;1.213,-4.8627,2.9325;.6833,-5.6017,-.0128;-.587,-5.5185,1.205;-.7317,-4.5995,-.2918;-3.8289,-1.9508,.4952;-3.9541,.287,1.1915;-1.8378,-.643,-2.4263;-1.4277,1.7591,-2.779;-2.2745,3.4264,-1.1886;-2.6326,4.7882,2.3165;-5.2549,3.7004,-.884;-3.1211,7.1794,1.9021;-5.7268,6.0823,-1.3073;-4.6666,7.8317,.0838; -11427.11134455 5808.05733473 -17235.16867927 -27446.74458123 10211.57590196 -22834.84471446 11407.73336991 2.00169867 161.000108599803 161.000108599803 322.000217199607 -389.814251698504 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 -13141.8618 -13141.8342 -13141.7898 -13141.4059 -1704.3934 -1704.3699 -1704.3297 -1703.9466 -1535.7331 -1535.7077 -1535.6668 -1535.6468 -1535.6461 -1535.6248 -1535.6222 -1535.5843 -1535.5814 -1535.2815 -1535.2048 -1535.2016 -525.3449 -524.7550 -523.4355 -392.8117 -284.8337 -283.8002 -283.0486 -282.6000 -281.9104 -281.6889 -281.0687 -281.0241 -280.8299 -280.7335 -280.6727 -280.2059 -280.1629 -280.1226 -280.1026 -280.0866 -280.0659 -280.0383 -279.9894 -279.9363 -279.9167 -279.7503 -240.4125 -240.3927 -240.3552 -239.9655 -181.2824 -181.2604 -181.2249 -180.9322 -180.9277 -180.9142 -180.9092 -180.8764 -180.8700 -180.8166 -180.4954 -180.4911 -75.4728 -75.4517 -75.4153 -75.3766 -75.3733 -75.3566 -75.3523 -75.3208 -75.3151 -75.0863 -75.0860 -75.0688 -75.0681 -75.0297 -75.0290 -75.0089 -74.9219 -74.9188 -74.6553 -74.6548 -34.2780 -33.1838 -31.6653 -28.6081 -28.2987 -27.7702 -27.3583 -26.8822 -25.6235 -25.4207 -24.6991 -24.6799 -24.4584 -23.9759 -23.9280 -23.5400 -23.2615 -22.7368 -22.4847 -21.3749 -20.8574 -20.2472 -19.9757 -19.7722 -19.3914 -19.0936 -18.6523 -18.3730 -17.7059 -17.1677 -16.9016 -16.7028 -16.4937 -16.4129 -16.1700 -16.1215 -16.0303 -15.6227 -15.4758 -15.3698 -15.1161 -14.8669 -14.6939 -14.5826 -14.5182 -14.3305 -14.1717 -14.0901 -13.8286 -13.7176 -13.5288 -13.4473 -13.2708 -13.2300 -13.1503 -13.0137 -12.7950 -12.7435 -12.5309 -12.3923 -12.2539 -12.2080 -11.9262 -11.7065 -11.6596 -11.4991 -11.4096 -11.2520 -11.0387 -10.8717 -10.7399 -10.5182 -10.2612 -10.1944 -10.0110 -9.8234 -9.6431 -9.5210 -8.6915 0.2323 0.6721 0.8328 1.2799 1.4649 1.5026 1.6293 1.7913 2.4077 2.5833 2.8807 2.9494 3.1188 3.4188 3.5388 3.6199 3.8979 4.1354 4.1536 4.2549 4.3101 4.4373 4.5646 4.6591 4.7657 4.8431 4.9703 5.0798 5.2381 5.2461 5.5455 5.6304 5.6665 5.7860 5.8713 5.9365 5.9847 6.1000 6.2715 6.3318 6.5172 6.5476 6.6709 6.7986 6.8250 7.0391 7.1355 7.1894 7.2418 7.3282 7.3948 7.5508 7.6610 7.7624 7.8392 7.8886 7.9608 8.0585 8.1309 8.1876 8.2648 8.2873 8.4198 8.4926 8.5292 8.5697 8.5975 8.6672 8.7510 8.8345 8.9301 9.0760 9.1891 9.2002 9.2843 9.3593 9.5162 9.6604 9.7138 9.7841 9.7986 9.8564 9.9448 10.0163 10.3221 10.4242 10.5175 10.6790 10.7065 10.8536 10.9212 10.9595 11.1137 11.2492 11.2667 11.3647 11.4694 11.5744 11.6238 11.6618 11.8053 11.8848 12.0281 12.1855 12.2209 12.2920 12.3933 12.4312 12.4847 12.5565 12.6796 12.7874 12.8342 12.9054 12.9972 13.1125 13.2457 13.3902 13.3952 13.4859 13.5111 13.5586 13.6611 13.6845 13.8264 13.9306 13.9761 14.0627 14.1636 14.2481 14.4319 14.5464 14.6316 14.6937 14.8087 14.8891 14.9357 15.0361 15.1274 15.1662 15.3301 15.3779 15.3952 15.5877 15.6384 15.6927 15.7539 15.8208 15.9039 15.9491 16.0574 16.1018 16.1622 16.3520 16.4027 16.4690 16.5511 16.6865 16.8046 16.9937 17.0014 17.0918 17.1153 17.2773 17.5772 17.7828 17.8308 17.8721 17.9795 18.1780 18.3473 18.5448 18.5812 18.7991 18.8062 19.0118 19.1227 19.3581 19.3916 19.6413 19.8377 19.8722 19.9927 20.1108 20.1220 20.1471 20.2841 20.3954 20.5836 20.6353 20.6899 20.8112 21.0064 21.2436 21.2714 21.3539 21.5028 21.6103 21.7058 21.7667 22.0372 22.1604 22.3505 22.4327 22.5928 22.7014 22.7119 22.9347 23.0984 23.2517 23.2882 23.4675 23.5984 23.7990 23.8093 24.0854 24.1987 24.3161 24.3180 24.5967 24.6672 24.7212 24.8852 25.0432 25.1021 25.1870 25.3649 25.5024 25.6089 25.8166 26.1664 26.2126 26.4019 26.4364 26.5917 26.8697 26.9034 27.0656 27.1984 27.2613 27.3278 27.5861 27.6836 27.7621 28.0624 28.1244 28.2846 28.3298 28.4592 28.6318 28.6777 28.7834 28.9863 29.0561 29.2102 29.2255 29.3890 29.4983 29.5639 29.7129 29.7823 30.0488 30.0648 30.2489 30.3322 30.4462 30.6516 30.8351 30.9036 31.2124 31.3885 31.5336 31.6628 31.7931 31.9372 31.9500 32.0103 32.1405 32.3360 32.5245 32.5586 32.6451 32.7893 32.8317 33.0381 33.1901 33.3332 33.3955 33.5865 33.6086 33.7477 33.9283 33.9434 34.3163 34.5003 34.6362 34.7826 34.9082 34.9502 35.0438 35.1933 35.3513 35.5504 35.6708 35.7423 35.8461 36.0166 36.0891 36.2944 36.4094 36.4615 36.6391 36.7661 36.9312 37.0062 37.1391 37.1490 37.3752 37.5155 37.6090 37.7119 37.8621 37.8819 38.0284 38.1684 38.2308 38.3394 38.4061 38.4170 38.5667 38.6507 38.6862 38.7842 38.8952 38.9622 39.0832 39.1165 39.3163 39.4762 39.4866 39.6052 39.6373 39.7686 39.8708 39.9771 40.1327 40.2332 40.2486 40.3203 40.4406 40.4914 40.7020 40.7370 40.8935 41.0597 41.1760 41.3028 41.4300 41.4803 41.5551 41.6880 41.7189 42.0079 42.0955 42.2371 42.3077 42.3543 42.4926 42.5758 42.6566 42.8055 42.8916 42.9259 43.1424 43.2684 43.3218 43.3804 43.4348 43.4941 43.6791 43.7003 43.9090 43.9474 44.0749 44.2296 44.3141 44.4043 44.5440 44.5757 44.7087 44.8103 44.9424 45.0511 45.1220 45.2643 45.2873 45.4320 45.5158 45.5630 45.6904 45.8893 45.9815 46.1273 46.2243 46.3076 46.3704 46.4550 46.5142 46.6949 46.7550 46.8360 46.8967 46.9564 47.0393 47.1995 47.3195 47.5489 47.5967 47.8481 47.9160 48.0027 48.1598 48.2127 48.3190 48.4994 48.6948 48.7754 48.8336 48.9471 49.1099 49.2846 49.3589 49.4645 49.6254 49.8038 49.9242 50.0697 50.1907 50.2735 50.5279 50.6285 50.7131 50.9383 51.2670 51.4037 51.5263 51.6886 51.7675 51.9329 52.0363 52.2312 52.2961 52.5532 52.6609 52.8810 52.9494 53.1935 53.3105 53.5158 53.6802 53.8257 53.9312 54.0075 54.1615 54.5417 54.7110 54.8649 55.1110 55.1286 55.2800 55.4619 55.5459 55.6412 55.8557 55.9641 56.1082 56.2017 56.3503 56.5159 56.8089 56.8647 57.1157 57.3598 57.7149 58.0762 58.0847 58.3023 58.5633 58.6040 58.9734 59.1138 59.2435 59.3748 59.7009 59.7443 60.0162 60.1571 60.3023 60.7572 60.9062 61.2101 61.3539 61.7378 61.9821 62.4006 62.6215 62.7629 63.0625 63.3576 63.6315 63.7187 63.9017 64.1013 64.1427 64.2288 64.6474 65.0256 65.2042 65.4315 65.7593 65.7882 66.0406 66.2171 66.5139 66.6182 66.6544 67.0683 67.1818 67.3015 67.6758 67.9395 68.1707 68.3540 68.5799 68.6736 68.8030 69.3055 69.5068 69.8092 70.1299 70.5064 71.0596 71.3141 71.4516 71.8910 72.0473 72.2775 72.5033 72.6372 72.8639 72.9835 73.1297 73.3545 73.4368 73.5469 73.9606 74.1693 74.3436 74.5169 74.7042 74.8953 75.0515 75.1352 75.3928 75.5028 75.6921 75.8599 76.0755 76.3709 76.6067 76.7931 76.9795 77.0514 77.1145 77.3313 77.3822 77.5668 77.6633 77.8636 78.0439 78.1238 78.2886 78.4484 78.6542 78.8268 79.0475 79.1176 79.2421 79.2804 79.3949 79.5035 79.5871 79.8216 80.0052 80.2198 80.3063 80.5176 80.9613 81.1882 81.2486 81.4069 81.5053 81.7560 81.7772 81.8867 82.1033 82.2851 82.3223 82.4854 82.5625 82.7068 82.8364 82.8986 82.9360 83.1805 83.3442 83.6307 83.6760 83.9448 84.1286 84.3306 84.4249 84.5606 84.7038 84.7737 84.8987 84.9881 85.1100 85.1910 85.2742 85.3061 85.4577 85.5959 85.6072 85.7093 85.9093 86.0599 86.0842 86.2704 86.3922 86.5798 86.6233 86.8361 86.9958 87.1303 87.3092 87.4602 87.6534 87.8282 87.9582 88.0560 88.2086 88.3971 88.4289 88.5648 88.7545 88.8135 88.8524 88.9641 88.9960 89.0909 89.3545 89.3966 89.4393 89.5480 89.8709 90.0420 90.1233 90.3518 90.4309 90.6887 90.8897 90.9821 91.0704 91.4018 91.5166 91.6790 91.8216 91.8462 91.9723 92.1234 92.3279 92.4085 92.4353 92.4735 92.6918 92.8179 92.9298 92.9888 93.0949 93.2305 93.4213 93.4792 93.5930 93.7584 93.8912 93.9890 94.0614 94.2005 94.2668 94.3669 94.5107 94.6372 94.8806 94.9331 95.0486 95.2075 95.2953 95.4671 95.5822 95.6761 95.9686 95.9879 96.0672 96.2545 96.6143 96.6778 96.8747 96.9379 97.0632 97.1798 97.2735 97.4652 97.5515 97.6627 97.9617 98.0582 98.0921 98.2820 98.3612 98.3805 98.6323 98.7924 98.8780 98.9946 99.1371 99.2113 99.4624 99.5718 99.7783 99.9153 100.1182 100.1645 100.4114 100.4940 100.6367 101.1297 101.1602 101.3907 101.5609 101.7898 102.0213 102.3343 102.5696 102.7236 102.8771 103.0517 103.3594 103.5610 103.9130 103.9763 104.2898 104.3291 104.4261 104.6434 104.8165 105.0609 105.2277 105.2973 105.3187 105.4073 105.5086 105.5709 105.6392 105.7700 105.9153 106.2645 106.3292 106.4487 106.4994 106.6053 106.9347 107.0318 107.1377 107.1849 107.5922 107.7120 107.9283 108.0701 108.2140 108.3812 108.4761 108.7556 108.9520 109.0549 109.3050 109.4974 109.6666 109.8443 109.9804 110.3017 110.3568 110.4749 110.5511 110.7636 110.7836 110.8814 111.0369 111.1670 111.3874 111.5833 111.7537 111.8517 112.1148 112.5250 112.6018 112.6344 112.7305 112.8923 112.9586 113.1655 113.2826 113.3741 113.5623 113.8207 113.8677 114.1744 114.2016 114.2680 114.3336 114.4700 114.8294 114.9514 115.0708 115.1259 115.2553 115.4701 115.7353 115.8603 115.9395 116.1248 116.1735 116.3331 116.4031 116.5069 116.6457 116.7316 116.8966 116.9280 117.1413 117.3104 117.4834 117.5664 117.5861 117.6911 117.9177 117.9955 118.0503 118.2419 118.3903 118.4387 118.4977 118.7025 118.8301 118.8904 119.0283 119.2496 119.3142 119.4210 119.4680 119.6247 119.7405 119.8957 120.0558 120.2723 120.4340 120.5697 120.6305 120.8019 120.8304 120.9481 121.1073 121.3773 121.5390 121.7478 121.8702 122.3783 122.3999 122.4762 122.7236 123.0624 123.3559 123.6119 123.7929 124.1898 124.3194 124.4205 124.6824 124.7078 125.2583 125.4139 125.7970 126.2435 126.3820 126.6123 126.8619 126.9251 127.3150 127.4505 127.8904 127.9847 128.0288 128.3607 128.6390 128.8617 128.9495 129.0136 129.3501 129.4179 129.4709 129.5828 129.9226 130.1158 130.2718 130.4910 130.5666 130.7994 130.9447 131.1288 131.4491 131.5418 131.7210 131.9432 132.2368 132.4148 132.4539 132.5840 132.9013 133.1431 133.1613 133.6528 133.7254 134.0406 134.2871 134.4977 134.9175 135.1741 135.2661 135.7105 135.7167 135.7647 136.2312 136.6927 136.9689 137.1575 137.6705 137.8750 138.0178 138.2807 138.3492 138.8796 139.0628 139.1311 139.3190 139.5779 140.1802 140.6010 140.8232 141.1092 141.4547 141.7348 142.2144 142.2692 143.2562 143.3540 143.5816 143.9680 144.0359 144.2984 144.3400 144.5400 144.7785 145.0106 145.2449 145.4675 145.6736 145.8579 146.2333 146.3169 146.5658 146.8115 147.1536 147.4411 147.5482 147.9730 148.1541 148.3980 148.4370 148.5747 149.0897 149.4160 149.7487 149.8241 150.2532 150.3574 150.6678 151.4300 151.6301 151.9767 152.1478 152.2750 153.0386 153.4944 153.6771 154.4321 154.4822 154.9846 155.2575 155.7610 155.8256 156.5379 156.6627 157.0872 157.3762 157.4631 157.5873 157.8175 158.5255 158.9426 159.2450 159.3268 159.7266 159.9089 160.7230 160.8092 161.0856 161.5731 162.2999 162.6678 163.9214 164.7218 166.1090 167.0987 168.2033 168.5603 170.2700 172.3418 172.5711 172.8362 173.2747 174.0826 175.9189 177.4072 177.9530 178.9197 181.3626 182.0503 184.9102 186.8211 187.2986 187.4598 188.6249 189.8553 191.8011 192.9621 193.5042 195.9249 196.5240 198.7816 201.8010 206.0644 206.6941 207.1445 210.0652 211.7881 212.8988 214.1332 605.4357 618.1826 621.0175 624.8752 627.1266 630.8391 631.5887 632.0740 632.5932 633.9087 634.3509 635.1605 636.5359 636.7097 637.5169 640.2859 642.9355 643.4174 647.3730 650.5647 657.2933 658.0721 877.5055 1199.6077 1212.6390 1215.2622 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 -0.059176 -0.012532 -0.007451 0.006154 -0.264976 -0.342786 -0.292006 0.000406 0.079898 -0.071383 -0.132894 -0.184543 -0.251999 -0.245759 0.332456 0.065012 0.301892 0.033483 -0.270087 -0.159883 -0.205611 0.210849 -0.108047 -0.147162 0.220523 -0.187453 -0.157674 -0.102591 -0.116402 -0.131782 0.111827 0.104929 0.149008 0.101296 0.075209 0.105085 0.095438 0.095227 0.094877 0.123986 0.118172 0.118950 0.127310 0.133287 0.126740 0.135697 0.127796 0.129074 0.127614 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 35.0592 35.0125 35.0075 34.9938 8.2650 8.3428 8.2920 6.9996 5.9201 6.0714 6.1329 6.1845 6.2520 6.2458 5.6675 5.9350 5.6981 5.9665 6.2701 6.1599 6.2056 5.7892 6.1080 6.1472 5.7795 6.1875 6.1577 6.1026 6.1164 6.1318 0.8882 0.8951 0.8510 0.8987 0.9248 0.8949 0.9046 0.9048 0.9051 0.8760 0.8818 0.8810 0.8727 0.8667 0.8733 0.8643 0.8722 0.8709 0.8724 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 -0.0592 -0.0125 -0.0075 0.0062 -0.2650 -0.3428 -0.2920 0.0004 0.0799 -0.0714 -0.1329 -0.1845 -0.2520 -0.2458 0.3325 0.0650 0.3019 0.0335 -0.2701 -0.1599 -0.2056 0.2108 -0.1080 -0.1472 0.2205 -0.1875 -0.1577 -0.1026 -0.1164 -0.1318 0.1118 0.1049 0.1490 0.1013 0.0752 0.1051 0.0954 0.0952 0.0949 0.1240 0.1182 0.1190 0.1273 0.1333 0.1267 0.1357 0.1278 0.1291 0.1276 1.2042 1.2268 1.2352 1.2408 2.1006 2.1603 2.1099 3.1129 3.8706 3.6623 3.8981 4.1202 3.9125 3.9089 4.2466 4.3090 3.8514 3.6136 4.0175 4.0402 3.9968 3.8893 3.9415 3.9232 3.8197 4.0361 3.9635 3.9380 3.9420 3.9522 1.0459 1.0240 1.0012 1.0076 1.0079 1.0047 1.0040 1.0019 1.0150 1.0169 1.0332 1.0185 1.0043 1.0053 1.0125 1.0022 0.9989 0.9996 0.9998 1.2042 1.2268 1.2352 1.2408 2.1006 2.1603 2.1099 3.1129 3.8706 3.6623 3.8981 4.1202 3.9125 3.9089 4.2466 4.3090 3.8514 3.6136 4.0175 4.0402 3.9968 3.8893 3.9415 3.9232 3.8197 4.0361 3.9635 3.9380 3.9420 3.9522 1.0459 1.0240 1.0012 1.0076 1.0079 1.0047 1.0040 1.0019 1.0150 1.0169 1.0332 1.0185 1.0043 1.0053 1.0125 1.0022 0.9989 0.9996 0.9998 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.0809 1.0802 1.0589 1.1185 1.1305 0.8966 1.9912 1.0125 0.9193 3.0550 0.9341 0.9087 0.9545 0.9525 0.8914 0.8827 0.9760 1.0205 1.0094 0.9844 0.9970 0.9947 0.9828 0.9893 0.9878 0.9938 0.9835 0.9127 0.9220 1.0011 1.4069 1.3384 1.4313 0.9552 1.4574 0.9884 1.3706 1.4146 0.9806 0.9634 1.4313 1.3819 1.4325 0.9710 1.4335 0.9665 1.4312 0.9732 1.4277 0.9718 0.9755 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 -0.033245501 -11427.144590047526 -115.12056 115.65030 0.52974 14.82604 -14.04512 0.78092 24.48772 -23.83572 0.65201 1.14698 2.91539