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:3.3546,-2.1734,2.207;2.0157,-3.8103,-.5399;1.6303,-1.0247,-1.9444;4.4809,-1.9165,-1.0194;-1.6772,.8025,-.4678;-1.9338,-1.2418,.4094;-5.3611,4.1525,1.5425;-2.9343,2.2655,-3.1539;.419,-.2776,2.2725;.9136,-1.197,1.2025;.072,-.0059,.8196;2.3541,-1.2679,.7881;1.3451,.7295,2.9139;-.6168,-.8141,3.2312;-1.2733,-.2509,.2609;2.6032,-1.9747,-.5553;-2.9758,.7175,-1.0493;-4.0498,1.14,-.077;-2.9383,1.5889,-2.2261;-4.1945,2.4833,.2495;-4.86,.1796,.5111;-5.1745,2.8646,1.1549;-5.8255,.5723,1.4262;-5.992,1.9078,1.7457;-5.1303,5.182,.6714;-5.5854,5.1541,-.6407;-4.47,6.2957,1.1668;-5.362,6.2512,-1.4576;-4.2651,7.3913,.3419;-4.7038,7.3723,-.9731;.3903,-2.1471,1.1633;.5849,.8456,.3874;2.7905,-.2693,.7065;1.8892,.2795,3.7445;2.0789,1.1472,2.2244;.7649,1.565,3.3078;-.1157,-1.2819,4.0798;-1.2407,-.0062,3.6168;-1.2696,-1.5567,2.7801;-3.1724,-.3022,-1.3945;-3.5567,3.2292,-.21;-4.7318,-.8656,.2658;-6.4625,-.1697,1.8883;-6.7517,2.2205,2.4497;-6.1082,4.2879,-1.0254;-4.1286,6.301,2.1936;-5.7109,6.227,-2.4813;-3.7527,8.2611,.7309;-4.5363,8.2249,-1.6168; 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 5476.4127161969 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 7.038e-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 0.648 sec Total time needed 1.350 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:3.3546,-2.1734,2.207;2.0157,-3.8103,-.5399;1.6303,-1.0247,-1.9444;4.4809,-1.9165,-1.0194;-1.6772,.8025,-.4678;-1.9338,-1.2418,.4094;-5.3611,4.1525,1.5425;-2.9343,2.2655,-3.1539;.419,-.2776,2.2725;.9136,-1.197,1.2025;.072,-.0059,.8196;2.3541,-1.2679,.7881;1.3451,.7295,2.9139;-.6168,-.8141,3.2312;-1.2733,-.2509,.2609;2.6032,-1.9747,-.5553;-2.9759,.7175,-1.0493;-4.0498,1.14,-.077;-2.9383,1.5889,-2.2261;-4.1945,2.4833,.2495;-4.86,.1796,.5111;-5.1745,2.8646,1.1549;-5.8255,.5723,1.4262;-5.992,1.9078,1.7457;-5.1302,5.182,.6714;-5.5854,5.1541,-.6407;-4.47,6.2957,1.1668;-5.362,6.2512,-1.4576;-4.2651,7.3913,.3419;-4.7038,7.3723,-.9731;.3903,-2.1471,1.1633;.5849,.8456,.3874;2.7905,-.2693,.7065;1.8892,.2795,3.7445;2.0789,1.1472,2.2244;.7649,1.565,3.3078;-.1157,-1.2819,4.0798;-1.2407,-.0062,3.6168;-1.2696,-1.5567,2.7801;-3.1724,-.3022,-1.3945;-3.5567,3.2292,-.21;-4.7318,-.8656,.2658;-6.4625,-.1697,1.8883;-6.7517,2.2205,2.4497;-6.1082,4.2879,-1.0254;-4.1286,6.301,2.1936;-5.7109,6.227,-2.4813;-3.7527,8.2611,.7309;-4.5363,8.2249,-1.6168; 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:3.3546,-2.1734,2.207;2.0157,-3.8103,-.5399;1.6303,-1.0247,-1.9444;4.4809,-1.9165,-1.0194;-1.6772,.8025,-.4678;-1.9338,-1.2418,.4094;-5.3611,4.1525,1.5425;-2.9343,2.2655,-3.1539;.419,-.2776,2.2725;.9136,-1.197,1.2025;.072,-.0059,.8196;2.3541,-1.2679,.7881;1.3451,.7295,2.9139;-.6168,-.8141,3.2312;-1.2733,-.2509,.2609;2.6032,-1.9747,-.5553;-2.9758,.7175,-1.0493;-4.0498,1.14,-.077;-2.9383,1.5889,-2.2261;-4.1945,2.4833,.2495;-4.86,.1796,.5111;-5.1745,2.8646,1.1549;-5.8255,.5723,1.4262;-5.992,1.9078,1.7457;-5.1303,5.182,.6714;-5.5854,5.1541,-.6407;-4.47,6.2957,1.1668;-5.362,6.2512,-1.4576;-4.2651,7.3913,.3419;-4.7038,7.3723,-.9731;.3903,-2.1471,1.1633;.5849,.8456,.3874;2.7905,-.2693,.7065;1.8892,.2795,3.7445;2.0789,1.1472,2.2244;.7649,1.565,3.3078;-.1157,-1.2819,4.0798;-1.2407,-.0062,3.6168;-1.2696,-1.5567,2.7801;-3.1724,-.3022,-1.3945;-3.5567,3.2292,-.21;-4.7318,-.8656,.2658;-6.4625,-.1697,1.8883;-6.7517,2.2205,2.4497;-6.1082,4.2879,-1.0254;-4.1286,6.301,2.1936;-5.7109,6.227,-2.4813;-3.7527,8.2611,.7309;-4.5363,8.2249,-1.6168; -11427.11498656 5476.41271620 -16903.52770275 -26783.61475531 9880.08705256 -22834.85532706 11407.74034050 2.00169838 161.000029158274 161.000029158274 322.000058316548 -389.811938333093 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 -13141.8612 -13141.7858 -13141.7632 -13141.3933 -1704.3977 -1704.3239 -1704.3037 -1703.9346 -1535.7364 -1535.6615 -1535.6509 -1535.6507 -1535.6413 -1535.5781 -1535.5766 -1535.5577 -1535.5554 -1535.2692 -1535.1927 -1535.1896 -525.3949 -524.7583 -523.4981 -392.8167 -284.8160 -283.8353 -283.0552 -282.5948 -281.9245 -281.6489 -281.0504 -281.0296 -280.8336 -280.7382 -280.7378 -280.2580 -280.2522 -280.1474 -280.1447 -279.9900 -279.9814 -279.9297 -279.9228 -279.8910 -279.8033 -279.6711 -240.4194 -240.3487 -240.3297 -239.9540 -181.2874 -181.2185 -181.2000 -180.9406 -180.9355 -180.8686 -180.8646 -180.8504 -180.8439 -180.8050 -180.4842 -180.4797 -75.4780 -75.4097 -75.3906 -75.3832 -75.3791 -75.3128 -75.3092 -75.2950 -75.2896 -75.0952 -75.0947 -75.0231 -75.0224 -75.0034 -75.0029 -74.9975 -74.9102 -74.9075 -74.6440 -74.6434 -34.3072 -33.1759 -31.7232 -28.5799 -28.3167 -27.7479 -27.3934 -26.8149 -25.6516 -25.4801 -24.6865 -24.6523 -24.3641 -23.9937 -23.8300 -23.6771 -23.2246 -22.7437 -22.4319 -21.4297 -20.8817 -20.2746 -19.8687 -19.6047 -19.2601 -18.8890 -18.7247 -18.2745 -17.8337 -17.2759 -17.1064 -16.5597 -16.5317 -16.3545 -16.2861 -16.0561 -15.9704 -15.6845 -15.4470 -15.2637 -15.0055 -14.9968 -14.7238 -14.6192 -14.4877 -14.2644 -14.1542 -14.0890 -13.9171 -13.6175 -13.5433 -13.4202 -13.2633 -13.2152 -13.1067 -12.9968 -12.8793 -12.6520 -12.5776 -12.3967 -12.2361 -12.1737 -11.8965 -11.7225 -11.5696 -11.5005 -11.3467 -11.1134 -10.9783 -10.8659 -10.7798 -10.6246 -10.3296 -10.1857 -9.9857 -9.8857 -9.6183 -9.5138 -8.6231 0.2698 0.6989 0.7694 1.2623 1.5381 1.5919 1.6155 1.8933 2.4289 2.5931 2.8661 2.9665 3.2112 3.3673 3.6038 3.8165 3.9130 4.1507 4.2392 4.2994 4.3716 4.4982 4.5796 4.7040 4.8145 4.8645 4.9918 5.0807 5.1710 5.3131 5.4386 5.5898 5.7475 5.8149 5.8705 5.9510 6.1141 6.1409 6.2292 6.3561 6.4984 6.5825 6.6974 6.8107 6.8764 6.9898 7.1373 7.2605 7.4043 7.4622 7.4800 7.5415 7.5662 7.6276 7.7155 7.7944 7.9418 7.9956 8.0181 8.0872 8.1655 8.2035 8.3671 8.4699 8.5348 8.5793 8.6078 8.6761 8.7232 8.8189 8.8784 9.0153 9.1973 9.2374 9.2910 9.4457 9.5175 9.6401 9.7294 9.7822 9.8233 9.8876 9.9229 9.9878 10.0906 10.2458 10.3719 10.4025 10.5079 10.6816 10.7431 10.8342 10.9236 11.0472 11.1054 11.1444 11.2308 11.3814 11.4230 11.5544 11.6972 11.7807 11.8318 11.8884 12.0600 12.1008 12.2202 12.4074 12.4420 12.5801 12.6090 12.6750 12.7416 12.7917 12.8282 12.9208 12.9788 13.1094 13.1632 13.3011 13.4226 13.4866 13.5136 13.6470 13.7226 13.8003 13.9543 13.9808 14.0903 14.1463 14.2349 14.3739 14.3914 14.5266 14.5515 14.6343 14.7849 14.8479 14.9880 15.0274 15.0952 15.2479 15.2755 15.3850 15.5007 15.5804 15.7350 15.7714 15.7754 15.8738 15.8881 16.0499 16.1121 16.1892 16.3075 16.3833 16.4354 16.4668 16.5820 16.8151 16.8559 16.9120 16.9910 17.2550 17.5228 17.5660 17.6189 17.6451 17.7325 17.8729 18.1108 18.2146 18.4767 18.6683 18.8704 18.9734 19.1450 19.2566 19.4549 19.5136 19.7056 19.8984 19.9219 20.0480 20.1633 20.2153 20.2377 20.3847 20.4783 20.4981 20.6855 20.7258 20.8717 20.9509 21.2287 21.3899 21.5247 21.6165 21.7379 21.7972 21.8344 21.8539 22.1406 22.3165 22.4236 22.6474 22.7167 22.8106 23.0429 23.1701 23.2319 23.3098 23.4771 23.6069 23.6822 23.8885 24.1504 24.1969 24.2946 24.3766 24.4726 24.6587 24.7389 24.8474 25.0266 25.1545 25.2133 25.4432 25.5568 25.7753 25.9494 26.0250 26.2741 26.4312 26.4945 26.6652 26.9250 26.9754 27.0433 27.1730 27.2153 27.3803 27.4875 27.6514 27.6780 27.7726 27.9404 28.2257 28.3293 28.4567 28.6337 28.7590 28.8575 28.9921 29.1593 29.3218 29.3293 29.4853 29.5852 29.6444 29.7665 29.8163 29.9039 30.0608 30.2473 30.3309 30.4794 30.5586 30.6143 30.9663 31.1074 31.2057 31.4136 31.4742 31.6375 31.7141 31.8847 32.1250 32.2890 32.4187 32.5037 32.5634 32.6638 32.8524 32.9292 32.9785 33.2284 33.3139 33.5121 33.5784 33.7121 33.8102 33.9886 34.1353 34.3767 34.4927 34.5994 34.9033 34.9785 35.1396 35.1778 35.3531 35.5017 35.5749 35.6064 35.7302 35.9323 36.0339 36.1681 36.3087 36.4965 36.5696 36.6530 36.7602 36.9400 37.0541 37.1888 37.2858 37.4532 37.6084 37.6571 37.7891 37.8878 37.9737 38.0686 38.1120 38.1564 38.2157 38.2543 38.3529 38.4107 38.4841 38.6252 38.7146 38.7827 38.8726 38.9378 39.0403 39.0777 39.2124 39.2907 39.3862 39.5876 39.7123 39.8283 40.0210 40.0808 40.1152 40.2222 40.3155 40.4480 40.5514 40.6327 40.7258 40.8133 41.0189 41.1031 41.1789 41.3102 41.3871 41.4059 41.5762 41.6518 41.8522 41.8881 41.9590 42.1948 42.3035 42.4624 42.6204 42.7008 42.8027 42.9076 43.0151 43.1119 43.2395 43.2859 43.3895 43.4400 43.5586 43.6182 43.8141 43.8685 44.0189 44.1778 44.1917 44.3062 44.3259 44.3787 44.5194 44.7200 44.8352 44.8676 44.9389 45.0484 45.1035 45.2521 45.3973 45.4859 45.5608 45.6687 45.7227 45.9050 45.9440 46.1118 46.2097 46.2398 46.2931 46.3955 46.5569 46.6061 46.6330 46.7159 46.8882 47.0966 47.1146 47.2176 47.3159 47.4441 47.4701 47.5916 47.7213 47.8589 48.0089 48.1658 48.3167 48.4690 48.5850 48.6944 48.8504 48.8998 49.2497 49.3619 49.4161 49.5008 49.6342 49.8301 49.9686 50.0687 50.1471 50.4478 50.6191 50.7788 50.8523 51.0523 51.2123 51.4084 51.6211 51.7042 51.9539 52.0405 52.1214 52.3798 52.5324 52.5969 52.8059 52.8503 52.8974 52.9880 53.1650 53.4209 53.6000 53.6654 53.9378 54.4399 54.5563 54.6824 54.7389 54.8454 55.0438 55.2743 55.3977 55.6722 55.7733 55.9123 56.0008 56.1348 56.2915 56.5294 56.6859 56.8239 56.9552 57.1504 57.3727 57.7304 57.9852 58.0328 58.2006 58.3761 58.6729 58.7360 58.9999 59.4244 59.5226 59.8140 59.9295 60.1670 60.4240 60.4970 60.6850 61.0035 61.2734 61.6775 61.8831 62.2050 62.4202 62.6207 63.2083 63.3351 63.4639 63.5668 63.6738 63.9762 64.3242 64.3481 64.5201 64.9189 64.9874 65.0924 65.3537 65.4242 65.5452 65.8719 66.4412 66.4713 66.8762 67.1435 67.4397 67.4614 67.7226 67.8167 68.1555 68.2464 68.4838 68.6481 68.9687 69.1182 69.2567 69.3734 69.5304 70.1830 70.9219 71.0260 71.2193 71.7947 72.0272 72.1470 72.2056 72.6323 72.6848 73.0441 73.0833 73.3151 73.4650 73.6419 73.8570 74.1866 74.3064 74.6528 74.7223 74.7742 75.0870 75.2116 75.3356 75.5964 75.7887 75.8732 75.9536 76.3918 76.4775 76.5848 76.7817 76.8241 77.1824 77.3251 77.3945 77.4767 77.7337 77.9181 78.0734 78.3279 78.4150 78.6086 78.6979 78.7852 78.8025 78.9107 79.0305 79.2243 79.3381 79.5605 79.6023 79.6494 79.7966 80.0852 80.2935 80.3882 80.6738 81.0683 81.1428 81.3424 81.4258 81.5814 81.6227 81.6351 81.6908 81.9929 82.1268 82.2752 82.4386 82.5942 82.7025 82.9145 82.9852 83.1095 83.3541 83.4874 83.6070 83.7481 83.9110 83.9632 84.0449 84.2743 84.3349 84.6129 84.6510 84.9291 84.9807 85.1169 85.1480 85.3141 85.4422 85.4714 85.5132 85.6462 85.7857 85.9147 86.0630 86.2065 86.3344 86.4140 86.5115 86.7590 86.8181 87.0485 87.1854 87.5095 87.6698 87.7236 87.8675 87.9771 88.1185 88.1802 88.4168 88.5889 88.6204 88.8246 88.8634 89.0375 89.0867 89.1953 89.2513 89.4425 89.4681 89.6678 89.7490 89.8368 89.9564 90.1483 90.2892 90.3221 90.6133 90.8265 91.0142 91.2776 91.3125 91.5522 91.6306 91.8038 91.8786 92.1399 92.2306 92.3430 92.3797 92.5674 92.6385 92.7387 92.8146 92.9875 93.0662 93.1402 93.3133 93.3967 93.4406 93.5904 93.7459 93.7919 93.9269 93.9852 94.3870 94.5046 94.6215 94.7852 94.9161 95.0289 95.1861 95.2929 95.3696 95.5023 95.6803 95.7839 95.8913 96.0522 96.0889 96.3570 96.4988 96.5998 96.6887 96.8660 97.0361 97.1512 97.1878 97.3062 97.4214 97.6367 97.7301 97.9154 98.0463 98.1617 98.3748 98.4502 98.5158 98.6215 98.7076 98.9343 98.9624 99.1480 99.2859 99.3719 99.4765 99.7428 99.8205 100.0836 100.2071 100.6754 100.9647 101.0359 101.3606 101.6838 101.9053 102.0889 102.3001 102.5082 102.5645 102.6068 102.9969 103.1446 103.3037 103.4010 103.7155 103.8875 104.1602 104.3944 104.4959 104.6376 104.7789 104.8605 105.1020 105.3211 105.3845 105.4366 105.5105 105.5375 105.6864 105.7747 105.8577 106.0334 106.2373 106.3390 106.5617 106.6144 106.8036 106.9096 107.0471 107.2151 107.3660 107.4875 107.6910 107.9454 108.0617 108.2822 108.4147 108.6613 108.8144 109.1856 109.2940 109.3928 109.7028 109.8416 109.9009 110.0366 110.1759 110.4468 110.5693 110.6711 110.7522 110.8684 111.0005 111.0931 111.2461 111.7029 111.7456 111.8842 112.1927 112.3522 112.4766 112.6998 112.7636 112.8769 112.9517 113.1943 113.2837 113.3911 113.4447 113.5584 113.6610 113.8785 113.9259 114.1467 114.2934 114.5448 114.6311 114.7164 114.8574 114.9640 115.0441 115.2070 115.4816 115.5489 115.7564 115.8425 115.9601 116.0948 116.1670 116.2236 116.3832 116.4761 116.5671 116.7432 116.9290 116.9527 117.1341 117.2549 117.4338 117.5503 117.6224 117.8041 117.9770 118.0214 118.0990 118.2011 118.3395 118.4211 118.5158 118.8339 118.8972 118.9980 119.2668 119.3385 119.4414 119.5573 119.7655 119.9280 120.0117 120.0751 120.1976 120.4217 120.4627 120.5824 120.6699 120.9099 121.0735 121.1780 121.3259 121.5113 121.7958 122.0099 122.3073 122.6797 122.8894 123.0309 123.4452 123.5410 123.9064 124.0619 124.1751 124.3986 124.5366 125.0975 125.5019 125.5612 125.6985 125.7844 126.3722 126.4364 126.8949 127.2386 127.5033 127.5729 127.8607 128.0139 128.1065 128.6166 128.7803 128.8404 128.9562 129.1171 129.1323 129.2569 129.4123 129.6264 129.9457 130.0103 130.2320 130.4634 130.6133 130.7355 130.8768 131.1312 131.2884 131.5874 131.6919 131.8814 131.8946 132.1339 132.2400 132.3516 132.6756 132.7915 133.1116 133.2636 133.6931 133.8909 134.0422 134.4316 134.6799 134.9083 135.0455 135.2589 135.4994 135.9009 136.4252 136.5953 136.7673 137.5836 137.7326 137.9130 138.0622 138.2411 138.5213 138.8791 138.9446 139.3195 139.4083 139.4773 140.0307 140.2222 140.4805 141.1692 141.4891 141.8309 142.1697 142.4760 142.9877 143.4002 143.7680 144.0079 144.1072 144.1634 144.3677 144.4470 144.8222 144.9496 145.1082 145.3644 145.6359 146.0899 146.1091 146.4090 146.6834 147.0585 147.2157 147.5052 147.6381 147.8736 148.0322 148.2916 148.5684 148.7929 148.8978 149.3173 149.7341 149.9498 150.1830 150.3780 150.5669 150.9083 151.6246 151.8397 152.1415 152.4142 152.5409 153.2745 153.7684 154.1810 154.5072 155.2476 155.3993 155.5198 155.6104 155.9607 156.8515 156.8985 156.9457 157.2395 157.4852 157.7017 158.6080 158.8098 159.1530 159.3386 159.9225 160.1880 160.4433 160.4998 161.6950 161.8158 162.1097 162.5376 163.1342 164.1278 165.5914 167.0519 168.0987 169.2280 169.7928 171.8552 172.4905 172.7095 172.8926 174.2148 175.8190 177.5232 178.8055 179.2002 180.8508 182.3875 185.3101 186.0444 186.6987 187.3546 189.1448 189.5980 192.1319 192.4739 193.5308 195.4064 196.4166 198.9261 202.1969 205.1291 206.4832 206.6229 209.8468 211.4167 211.9739 212.8572 605.0536 618.1312 620.1983 625.1925 626.9325 630.6210 631.6063 631.9614 632.1495 634.1749 634.4898 635.2256 636.4458 636.8222 637.4740 639.6710 642.3426 642.8697 647.4881 650.4445 657.1482 658.1163 877.0964 1200.7589 1213.1439 1215.0090 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 -0.060253 0.001637 -0.005045 0.009056 -0.257231 -0.379744 -0.297755 -0.001857 0.073018 -0.075869 -0.168616 -0.176648 -0.243743 -0.246299 0.380209 0.034100 0.329528 0.004237 -0.268247 -0.182901 -0.134827 0.214836 -0.094980 -0.199059 0.248474 -0.167680 -0.214513 -0.099725 -0.088820 -0.145237 0.121975 0.102407 0.149579 0.100123 0.075266 0.103737 0.094919 0.092894 0.100182 0.124674 0.130298 0.120709 0.129438 0.129390 0.132305 0.124616 0.129202 0.125661 0.126581 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 35.0603 34.9984 35.0050 34.9909 8.2572 8.3797 8.2978 7.0019 5.9270 6.0759 6.1686 6.1766 6.2437 6.2463 5.6198 5.9659 5.6705 5.9958 6.2682 6.1829 6.1348 5.7852 6.0950 6.1991 5.7515 6.1677 6.2145 6.0997 6.0888 6.1452 0.8780 0.8976 0.8504 0.8999 0.9247 0.8963 0.9051 0.9071 0.8998 0.8753 0.8697 0.8793 0.8706 0.8706 0.8677 0.8754 0.8708 0.8743 0.8734 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 -0.0603 0.0016 -0.0050 0.0091 -0.2572 -0.3797 -0.2978 -0.0019 0.0730 -0.0759 -0.1686 -0.1766 -0.2437 -0.2463 0.3802 0.0341 0.3295 0.0042 -0.2682 -0.1829 -0.1348 0.2148 -0.0950 -0.1991 0.2485 -0.1677 -0.2145 -0.0997 -0.0888 -0.1452 0.1220 0.1024 0.1496 0.1001 0.0753 0.1037 0.0949 0.0929 0.1002 0.1247 0.1303 0.1207 0.1294 0.1294 0.1323 0.1246 0.1292 0.1257 0.1266 1.2028 1.2353 1.2378 1.2412 2.1295 2.1259 2.1150 3.1166 3.8845 3.6992 3.9351 4.1127 3.9028 3.9064 4.1760 4.3530 3.8308 3.6586 4.0282 3.9828 3.9829 3.8630 3.9552 4.0361 3.7949 3.9542 4.0461 3.9497 3.9326 3.9666 1.0450 1.0283 1.0028 1.0083 1.0086 1.0051 1.0037 1.0016 1.0214 1.0167 1.0150 1.0216 0.9994 1.0114 1.0037 1.0139 0.9998 0.9988 1.0003 1.2028 1.2353 1.2378 1.2412 2.1295 2.1259 2.1150 3.1166 3.8845 3.6992 3.9351 4.1127 3.9028 3.9064 4.1760 4.3530 3.8308 3.6586 4.0282 3.9828 3.9829 3.8630 3.9552 4.0361 3.7949 3.9542 4.0461 3.9497 3.9326 3.9666 1.0450 1.0283 1.0028 1.0083 1.0086 1.0051 1.0037 1.0016 1.0214 1.0167 1.0150 1.0216 0.9994 1.0114 1.0037 1.0139 0.9998 0.9988 1.0003 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.0788 1.1023 1.0809 1.1221 1.1422 0.8674 1.9368 1.0042 0.9374 3.0595 0.9581 0.8774 0.9529 0.9582 0.9198 0.8890 0.9669 1.0192 1.0204 0.9790 0.9996 0.9931 0.9846 0.9889 0.9880 0.9895 0.9827 0.9159 0.9189 0.9981 1.3684 1.3778 1.3988 0.9441 1.4455 0.9670 1.4085 1.4554 0.9757 0.9702 1.3679 1.4211 1.4390 0.9645 1.4416 0.9713 1.4330 0.9698 1.4278 0.9742 0.9762 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 -0.029138449 -11427.144125003784 -147.93976 147.66078 -0.27898 115.05887 -114.71435 0.34452 34.61550 -33.38503 1.23048 1.30790 3.32441