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:3.5889,-2.1458,-.9048;3.2984,.893,.7146;1.1918,-.3901,2.6622;4.0543,-1.6156,2.4607;-2.5241,-.8853,.7223;-1.3671,.6211,-.4601;-5.7434,2.7742,-2.6561;-5.1819,-.8719,2.6874;.1329,-2.0567,-1.3388;.9693,-1.1966,-.4457;-.4339,-1.5435,-.0272;2.1349,-1.7253,.3382;.3578,-3.5488,-1.415;-.3175,-1.4619,-2.651;-1.4491,-.4705,.0283;2.6479,-.7742,1.4334;-3.6014,.0353,.8149;-4.363,.1695,-.4827;-4.4737,-.4871,1.8694;-4.6623,1.4364,-.9575;-4.7707,-.9634,-1.1726;-5.3789,1.5741,-2.1398;-5.483,-.8127,-2.3518;-5.787,.446,-2.8411;-5.0803,3.9161,-2.2944;-5.8293,4.9673,-1.7906;-3.7095,4.0441,-2.4777;-5.1999,6.1623,-1.4742;-3.0913,5.2394,-2.1468;-3.8312,6.3014,-1.6457;1.0962,-.1803,-.8053;-.5505,-2.303,.7382;1.8825,-2.668,.8302;1.118,-3.7883,-2.1584;.6704,-3.9893,-.4684;-.5665,-4.0468,-1.7113;-.468,-.3862,-2.6003;.4349,-1.6568,-3.4165;-1.2535,-1.9165,-2.9797;-3.2385,1.019,1.132;-4.3316,2.3088,-.4084;-4.5443,-1.9519,-.7949;-5.8077,-1.6872,-2.8994;-6.3435,.5645,-3.7613;-6.8964,4.848,-1.6568;-3.1302,3.2192,-2.8728;-5.7848,6.985,-1.085;-2.0235,5.3406,-2.2871;-3.3429,7.2327,-1.3927; 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 5523.3938174450 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 6.962e-06 Time for diagonalization 0.638 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.618 sec Total time needed 1.270 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:3.5889,-2.1458,-.9048;3.2984,.893,.7146;1.1918,-.3901,2.6622;4.0543,-1.6156,2.4607;-2.5241,-.8853,.7223;-1.3671,.6211,-.4601;-5.7434,2.7742,-2.6561;-5.1819,-.8719,2.6874;.1329,-2.0567,-1.3388;.9693,-1.1966,-.4457;-.4339,-1.5435,-.0272;2.1349,-1.7253,.3382;.3578,-3.5488,-1.415;-.3175,-1.4619,-2.651;-1.4491,-.4705,.0283;2.6479,-.7742,1.4335;-3.6014,.0353,.8149;-4.363,.1695,-.4827;-4.4737,-.4871,1.8694;-4.6623,1.4364,-.9575;-4.7707,-.9634,-1.1726;-5.3789,1.5741,-2.1398;-5.483,-.8127,-2.3518;-5.787,.446,-2.8411;-5.0803,3.9161,-2.2944;-5.8293,4.9673,-1.7906;-3.7095,4.0441,-2.4777;-5.1999,6.1623,-1.4742;-3.0913,5.2394,-2.1468;-3.8312,6.3014,-1.6457;1.0962,-.1803,-.8053;-.5505,-2.303,.7382;1.8825,-2.668,.8302;1.118,-3.7883,-2.1584;.6704,-3.9893,-.4684;-.5665,-4.0468,-1.7113;-.468,-.3862,-2.6003;.4349,-1.6568,-3.4165;-1.2535,-1.9166,-2.9797;-3.2385,1.019,1.132;-4.3316,2.3088,-.4084;-4.5443,-1.9519,-.7949;-5.8077,-1.6872,-2.8994;-6.3435,.5645,-3.7613;-6.8964,4.848,-1.6568;-3.1302,3.2192,-2.8728;-5.7848,6.985,-1.085;-2.0235,5.3406,-2.2871;-3.3429,7.2327,-1.3927; 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:3.5889,-2.1458,-.9048;3.2984,.893,.7146;1.1918,-.3901,2.6622;4.0543,-1.6156,2.4607;-2.5241,-.8853,.7223;-1.3671,.6211,-.4601;-5.7434,2.7742,-2.6561;-5.1819,-.8719,2.6874;.1329,-2.0567,-1.3388;.9693,-1.1966,-.4457;-.4339,-1.5435,-.0272;2.1349,-1.7253,.3382;.3578,-3.5488,-1.415;-.3175,-1.4619,-2.651;-1.4491,-.4705,.0283;2.6479,-.7742,1.4334;-3.6014,.0353,.8149;-4.363,.1695,-.4827;-4.4737,-.4871,1.8694;-4.6623,1.4364,-.9575;-4.7707,-.9634,-1.1726;-5.3789,1.5741,-2.1398;-5.483,-.8127,-2.3518;-5.787,.446,-2.8411;-5.0803,3.9161,-2.2944;-5.8293,4.9673,-1.7906;-3.7095,4.0441,-2.4777;-5.1999,6.1623,-1.4742;-3.0913,5.2394,-2.1468;-3.8312,6.3014,-1.6457;1.0962,-.1803,-.8053;-.5505,-2.303,.7382;1.8825,-2.668,.8302;1.118,-3.7883,-2.1584;.6704,-3.9893,-.4684;-.5665,-4.0468,-1.7113;-.468,-.3862,-2.6003;.4349,-1.6568,-3.4165;-1.2535,-1.9165,-2.9797;-3.2385,1.019,1.132;-4.3316,2.3088,-.4084;-4.5443,-1.9519,-.7949;-5.8077,-1.6872,-2.8994;-6.3435,.5645,-3.7613;-6.8964,4.848,-1.6568;-3.1302,3.2192,-2.8728;-5.7848,6.985,-1.085;-2.0235,5.3406,-2.2871;-3.3429,7.2327,-1.3927; -11427.11359365 5523.39381745 -16950.50741109 -26877.26312614 9926.75571504 -22834.85381306 11407.74021941 2.00169827 161.000008333827 161.000008333827 322.000016667655 -389.811732045723 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 -13141.8925 -13141.8168 -13141.7931 -13141.4261 -1704.4296 -1704.3548 -1704.3335 -1703.9665 -1535.7678 -1535.6926 -1535.6831 -1535.6827 -1535.6710 -1535.6088 -1535.6074 -1535.5877 -1535.5853 -1535.3013 -1535.2248 -1535.2214 -525.4173 -524.7716 -523.5402 -392.7581 -284.8489 -283.8489 -283.0727 -282.6276 -281.9311 -281.6729 -281.0962 -280.9748 -280.8509 -280.7735 -280.7223 -280.2468 -280.2047 -280.0940 -280.0712 -280.0708 -280.0652 -280.0113 -279.9763 -279.9591 -279.9150 -279.7420 -240.4511 -240.3785 -240.3595 -239.9849 -181.3188 -181.2484 -181.2298 -180.9725 -180.9676 -180.8987 -180.8944 -180.8803 -180.8740 -180.8360 -180.5149 -180.5109 -75.5090 -75.4394 -75.4203 -75.4152 -75.4115 -75.3433 -75.3392 -75.3249 -75.3196 -75.1270 -75.1267 -75.0530 -75.0524 -75.0333 -75.0329 -75.0281 -74.9415 -74.9391 -74.6750 -74.6744 -34.3571 -33.1925 -31.7606 -28.6171 -28.2583 -27.7866 -27.3751 -26.8822 -25.6546 -25.4885 -24.7142 -24.6832 -24.3593 -24.0288 -23.9098 -23.7299 -23.2292 -22.7693 -22.4874 -21.4569 -20.8689 -20.2579 -19.9694 -19.6705 -19.3814 -18.8784 -18.6387 -18.1594 -17.7311 -17.3969 -17.2120 -16.7377 -16.5318 -16.4357 -16.2014 -16.0954 -15.9784 -15.7694 -15.4909 -15.3503 -15.1075 -14.9253 -14.7159 -14.5950 -14.5474 -14.3065 -14.1939 -14.1002 -13.9930 -13.6756 -13.5899 -13.4743 -13.3147 -13.2623 -13.0142 -12.9127 -12.8211 -12.7176 -12.6191 -12.4346 -12.2716 -12.2170 -11.8830 -11.7443 -11.5689 -11.5217 -11.3808 -11.1488 -11.0112 -10.9195 -10.8149 -10.6412 -10.3612 -10.2057 -10.0242 -9.8460 -9.6219 -9.5217 -8.6965 0.2400 0.6850 0.8544 1.2370 1.5005 1.5307 1.5815 1.7717 2.3774 2.5745 2.8143 2.9827 3.1233 3.3513 3.5085 3.6685 3.8753 3.9787 4.2157 4.2338 4.3904 4.4711 4.5866 4.6646 4.6850 4.8400 4.9769 5.0564 5.1868 5.3174 5.4055 5.4778 5.7236 5.8295 5.8981 5.9400 5.9992 6.0886 6.2287 6.3284 6.4915 6.5903 6.7603 6.8283 6.9279 6.9775 7.0912 7.2286 7.3104 7.3624 7.3862 7.4508 7.4805 7.6608 7.7434 7.8680 7.9050 8.0468 8.0693 8.1126 8.2091 8.3130 8.3574 8.4201 8.4917 8.5029 8.5786 8.6792 8.7057 8.8380 8.9234 9.0710 9.1542 9.2459 9.2988 9.3559 9.3937 9.4437 9.5619 9.7151 9.7232 9.8308 9.9121 9.9516 10.0812 10.2500 10.2550 10.2926 10.5139 10.5976 10.7404 10.8343 11.0132 11.0893 11.1243 11.1574 11.3085 11.3946 11.5018 11.5891 11.6083 11.7145 11.8037 11.9062 11.9630 12.0819 12.1996 12.2815 12.3567 12.3866 12.5337 12.5881 12.7064 12.7641 12.7997 12.8309 12.9413 13.0489 13.2395 13.2523 13.3453 13.4365 13.5998 13.6605 13.7410 13.7897 13.9282 14.0188 14.1816 14.2469 14.2552 14.3258 14.3929 14.4665 14.5307 14.7366 14.7547 14.8641 14.9338 15.0836 15.1698 15.2522 15.3220 15.4177 15.4810 15.5756 15.6316 15.7315 15.8048 15.8458 15.9744 16.0560 16.1679 16.3041 16.3777 16.4745 16.5425 16.6295 16.7589 16.8703 16.8846 17.0696 17.2173 17.3476 17.4041 17.4836 17.5576 17.7182 17.8304 17.9254 18.1136 18.2262 18.4535 18.4819 18.7286 18.9848 19.1154 19.2103 19.4626 19.6625 19.6983 19.8400 19.9683 20.0578 20.0611 20.1909 20.2227 20.3344 20.5165 20.5536 20.5765 20.7922 20.9293 21.0697 21.1971 21.3379 21.4285 21.5661 21.6081 21.7195 21.8599 21.9419 22.0441 22.3058 22.3849 22.6483 22.7774 22.8352 23.0498 23.1640 23.1873 23.3947 23.4955 23.5625 23.8449 23.9187 24.0960 24.2234 24.3271 24.4732 24.5035 24.6640 24.7304 24.8692 24.9890 25.1992 25.2413 25.4895 25.5703 25.6524 25.8413 25.9554 26.0910 26.2696 26.3571 26.5479 26.7642 26.8752 26.9881 27.1791 27.3702 27.4688 27.5851 27.6631 27.7389 27.8331 28.0436 28.2106 28.3024 28.5016 28.6382 28.8688 28.9181 29.0055 29.1327 29.2646 29.3006 29.3657 29.5124 29.6629 29.7835 29.7991 29.9317 30.0734 30.2329 30.3245 30.4440 30.6063 30.8772 30.9356 31.0473 31.1914 31.3214 31.4673 31.6209 31.6899 31.9208 32.0261 32.3627 32.4907 32.5611 32.6013 32.6958 32.9406 33.0717 33.1855 33.2960 33.3785 33.5195 33.5919 33.6551 33.7046 33.7822 33.9211 34.1867 34.2302 34.6659 34.7961 34.8898 34.9007 35.0228 35.3224 35.4817 35.5026 35.5703 35.7541 35.9616 36.0613 36.2420 36.3657 36.4415 36.5315 36.7109 36.8653 36.9889 37.1322 37.2088 37.2703 37.3462 37.5334 37.6342 37.8049 37.8786 37.9174 38.0932 38.1017 38.1133 38.2072 38.2703 38.3870 38.4045 38.4769 38.5866 38.7118 38.7288 38.8250 38.9222 38.9970 39.1498 39.1572 39.2491 39.4687 39.6200 39.6856 39.7913 39.8228 40.0495 40.1204 40.2185 40.3616 40.4680 40.4860 40.6121 40.7269 40.9314 40.9848 41.0004 41.1941 41.2844 41.3953 41.4907 41.5491 41.7573 41.8244 41.9326 42.0610 42.2672 42.4555 42.4952 42.6040 42.7106 42.8093 42.9544 43.0024 43.0644 43.1380 43.2514 43.4258 43.5667 43.6506 43.7535 43.8139 43.8719 44.0805 44.1694 44.2719 44.3544 44.4012 44.4788 44.5598 44.6202 44.7222 44.8576 44.9633 45.0617 45.1914 45.3186 45.4683 45.5730 45.6344 45.7750 45.7964 45.8827 45.9203 46.0544 46.1030 46.1954 46.3318 46.5178 46.6010 46.6523 46.7528 46.8524 46.9425 47.0537 47.0797 47.1969 47.4272 47.5034 47.5625 47.6393 47.7940 47.9077 47.9676 48.0022 48.3451 48.3770 48.5637 48.6296 48.7416 48.9291 49.0994 49.1688 49.3837 49.4857 49.6131 49.7514 49.9501 50.0320 50.0758 50.3602 50.7042 50.7767 50.8775 50.9297 51.2964 51.3284 51.5297 51.6252 51.7190 52.0778 52.2831 52.4531 52.5280 52.6657 52.8055 52.8676 53.0854 53.1255 53.2057 53.4527 53.5486 53.8854 54.3448 54.4729 54.6459 54.6941 54.7676 54.9345 55.2691 55.2946 55.5424 55.5862 55.8147 55.9302 55.9683 56.2882 56.4471 56.5203 56.7513 56.8799 57.0938 57.1746 57.3021 57.5553 57.6645 57.9999 58.1241 58.2045 58.2802 58.8324 59.0602 59.2345 59.3733 59.6203 59.8494 60.0328 60.3130 60.5244 60.8239 60.8785 61.1562 61.2789 62.1278 62.2912 62.5450 62.7047 63.1469 63.2837 63.4125 63.5783 63.7538 64.0011 64.3215 64.3682 64.5920 64.8175 65.1062 65.3441 65.4639 65.6804 65.7904 66.0315 66.2281 66.4532 66.9538 67.0520 67.3985 67.5468 67.6125 67.8127 67.9816 68.2707 68.4573 68.8450 69.1399 69.3296 69.3482 69.4704 69.7124 69.9174 71.0379 71.1027 71.4848 71.6514 71.7625 72.1457 72.3799 72.5506 72.7786 72.9714 73.1719 73.3338 73.5266 73.6345 73.8987 74.0562 74.1954 74.4909 74.8250 74.9213 74.9422 75.1658 75.4029 75.5597 75.7569 76.0022 76.1740 76.2900 76.4454 76.4502 76.5582 77.0866 77.2111 77.3230 77.3740 77.5112 77.7511 77.9812 78.1546 78.2621 78.4772 78.5438 78.7363 78.7693 78.8544 78.9762 79.0668 79.2308 79.3291 79.5886 79.6621 79.7987 79.8686 80.0895 80.2216 80.3835 80.5394 80.6163 80.9478 81.0670 81.2224 81.3556 81.4953 81.6693 81.8339 81.9391 82.0415 82.2131 82.2780 82.5284 82.7212 82.8704 83.0069 83.2144 83.2469 83.4962 83.5871 83.8573 83.9039 84.0501 84.1536 84.3034 84.3105 84.6396 84.6574 84.7973 84.9558 85.0247 85.2388 85.3370 85.3667 85.4508 85.4828 85.6649 85.7862 85.9285 85.9505 86.0906 86.2576 86.3554 86.4723 86.5968 86.6925 87.0203 87.2460 87.4773 87.5616 87.7176 87.7395 88.0165 88.1222 88.1600 88.3729 88.5035 88.5171 88.7954 88.8864 88.9694 89.1447 89.2378 89.3098 89.4723 89.4924 89.5322 89.7049 89.9284 90.0022 90.2905 90.3766 90.4954 90.5897 90.9280 91.0643 91.1023 91.2727 91.4692 91.6667 91.7350 91.8740 92.0313 92.2231 92.3004 92.4199 92.5147 92.6246 92.6795 92.8254 92.9518 93.0009 93.2119 93.2601 93.3938 93.4253 93.5977 93.6754 93.7416 93.8331 93.9850 94.3138 94.3983 94.5365 94.6226 94.7718 95.0076 95.1436 95.1837 95.3201 95.4044 95.5221 95.8206 95.9017 95.9795 96.2889 96.3738 96.4633 96.5344 96.7527 96.8981 96.9748 97.1441 97.2066 97.3913 97.4033 97.6149 97.6593 97.8707 97.9506 98.0816 98.2137 98.3514 98.5194 98.7248 98.8105 98.9372 98.9566 99.0901 99.3030 99.4106 99.7043 99.8777 100.0804 100.3025 100.6392 100.7340 100.8348 101.1491 101.2323 101.5871 101.7343 101.9636 102.2350 102.5181 102.5897 102.7333 102.9440 103.1186 103.2580 103.4094 103.6156 103.8545 103.9969 104.1359 104.5163 104.5995 104.7949 104.8527 105.1115 105.2483 105.2555 105.2912 105.4519 105.5721 105.6926 105.7990 105.8847 106.0178 106.1566 106.3146 106.3619 106.7302 106.8397 107.0082 107.0531 107.0840 107.3035 107.4072 107.6133 107.7163 107.8768 108.2262 108.4536 108.5793 108.8635 108.9194 109.1562 109.2681 109.6161 109.9744 109.9989 110.1843 110.3277 110.4380 110.5558 110.6752 110.7507 110.8735 111.0723 111.1968 111.2221 111.3828 111.7747 112.0362 112.1769 112.3109 112.4675 112.7102 112.7436 112.7760 112.8941 113.0445 113.2745 113.3589 113.4519 113.5303 113.8250 113.8724 114.0027 114.0668 114.2425 114.5330 114.6312 114.7045 114.7962 114.9351 115.1465 115.2220 115.3802 115.5606 115.6114 115.8364 116.0240 116.0990 116.1367 116.2699 116.3214 116.5539 116.7103 116.8627 117.0099 117.0511 117.1063 117.2823 117.5001 117.5650 117.7341 117.8123 117.8404 117.8696 118.1885 118.2170 118.3400 118.4008 118.6069 118.6454 118.8496 118.9188 119.1309 119.2265 119.3185 119.6839 119.7319 119.9053 119.9939 120.1034 120.2267 120.3382 120.4896 120.6216 120.6915 120.9332 121.0221 121.2539 121.4749 121.6446 121.8527 122.1852 122.2859 122.5079 122.6295 123.0293 123.2302 123.4477 123.9351 124.1116 124.3381 124.3906 124.5736 124.9829 125.4691 125.5264 125.7907 125.8856 126.3997 126.5607 126.8953 127.1486 127.2628 127.6580 127.8468 128.0342 128.1072 128.3762 128.6728 128.7266 128.9786 129.1432 129.2063 129.2281 129.5235 129.7880 129.9382 130.0974 130.1909 130.3503 130.5498 130.6893 130.9232 131.1399 131.2652 131.4327 131.7147 131.9117 131.9410 132.0945 132.3363 132.5255 132.6102 132.6774 133.1381 133.2342 133.7445 133.8576 134.0862 134.3487 134.4856 134.7351 135.1378 135.2210 135.4174 136.0012 136.3334 136.6807 137.0423 137.2069 137.6372 137.8674 138.0638 138.4539 138.5802 138.7773 139.0656 139.2248 139.3947 139.5710 140.0802 140.2918 141.0251 141.2186 141.5363 141.8206 142.2001 142.6754 143.0326 143.3798 143.6002 143.8067 144.0050 144.1161 144.2017 144.3700 144.5731 144.9549 145.1068 145.3680 145.5565 145.9738 146.0503 146.3979 146.6377 147.1001 147.1584 147.4109 147.5601 148.0248 148.1825 148.3246 148.4420 148.7853 148.9577 149.3965 149.7007 149.8274 150.0340 150.3012 150.5785 151.0902 151.4481 151.8484 152.0213 152.1998 152.6885 153.1603 153.6400 154.3035 154.4599 154.8310 155.3919 155.4261 155.8815 156.1511 156.7130 156.7888 156.9048 157.3332 157.5525 158.0619 158.6858 159.0221 159.2598 159.3265 159.9101 160.1546 160.7669 161.0184 161.6383 161.9622 162.3290 162.7226 163.4152 164.4035 165.5620 167.0621 167.5807 168.7302 170.0905 172.1306 172.3859 172.9904 173.3086 174.8175 175.5661 177.1879 178.0893 179.1379 181.4995 182.5353 185.1771 186.3919 186.8184 187.3734 189.1351 189.8241 191.8078 192.3224 193.2616 195.6561 196.6829 199.0193 201.7129 205.2005 206.4241 206.8948 209.7694 211.3286 211.7977 212.8190 605.1346 618.6470 620.9150 625.2148 626.9557 630.7178 631.4968 631.9422 632.5240 633.9810 634.2481 635.2047 636.6476 636.7860 637.5126 639.5848 642.5498 643.4016 647.5755 650.4744 657.3200 658.1289 876.4201 1200.7681 1212.5719 1215.2009 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 -0.060436 0.000355 -0.006340 0.009386 -0.259361 -0.358763 -0.293866 0.001100 0.075573 -0.071168 -0.156725 -0.176820 -0.246777 -0.242277 0.341614 0.034060 0.303506 0.035562 -0.249196 -0.129905 -0.222426 0.235639 -0.084313 -0.197496 0.234958 -0.193878 -0.172209 -0.098410 -0.110056 -0.137117 0.119625 0.102135 0.147984 0.100919 0.076808 0.103036 0.097470 0.097487 0.089662 0.119061 0.109736 0.124378 0.127914 0.128971 0.126996 0.137391 0.128042 0.129922 0.128251 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 35.0604 34.9996 35.0063 34.9906 8.2594 8.3588 8.2939 6.9989 5.9244 6.0712 6.1567 6.1768 6.2468 6.2423 5.6584 5.9659 5.6965 5.9644 6.2492 6.1299 6.2224 5.7644 6.0843 6.1975 5.7650 6.1939 6.1722 6.0984 6.1101 6.1371 0.8804 0.8979 0.8520 0.8991 0.9232 0.8970 0.9025 0.9025 0.9103 0.8809 0.8903 0.8756 0.8721 0.8710 0.8730 0.8626 0.8720 0.8701 0.8717 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 -0.0604 0.0004 -0.0063 0.0094 -0.2594 -0.3588 -0.2939 0.0011 0.0756 -0.0712 -0.1567 -0.1768 -0.2468 -0.2423 0.3416 0.0341 0.3035 0.0356 -0.2492 -0.1299 -0.2224 0.2356 -0.0843 -0.1975 0.2350 -0.1939 -0.1722 -0.0984 -0.1101 -0.1371 0.1196 0.1021 0.1480 0.1009 0.0768 0.1030 0.0975 0.0975 0.0897 0.1191 0.1097 0.1244 0.1279 0.1290 0.1270 0.1374 0.1280 0.1299 0.1283 1.2021 1.2348 1.2367 1.2415 2.1231 2.1486 2.1194 3.1199 3.8858 3.7062 3.9019 4.1139 3.9026 3.9051 4.2198 4.3641 3.8526 3.6717 4.0154 3.9432 4.0233 3.8756 3.9430 4.0294 3.8064 4.0435 3.9727 3.9319 3.9414 3.9550 1.0468 1.0286 1.0032 1.0078 1.0076 1.0053 1.0207 1.0040 1.0037 1.0209 1.0187 1.0185 0.9988 1.0120 1.0125 1.0030 0.9989 0.9992 0.9998 1.2021 1.2348 1.2367 1.2415 2.1231 2.1486 2.1194 3.1199 3.8858 3.7062 3.9019 4.1139 3.9026 3.9051 4.2198 4.3641 3.8526 3.6717 4.0154 3.9432 4.0233 3.8756 3.9430 4.0294 3.8064 4.0435 3.9727 3.9319 3.9414 3.9550 1.0468 1.0286 1.0032 1.0078 1.0076 1.0053 1.0207 1.0040 1.0037 1.0209 1.0187 1.0185 0.9988 1.0120 1.0125 1.0030 0.9989 0.9992 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 1.0780 1.1018 1.0824 1.1243 1.1328 0.8828 1.9771 1.0237 0.9171 3.0575 0.9639 0.8650 0.9521 0.9587 0.9300 0.8895 0.9658 1.0108 1.0156 0.9845 0.9978 0.9940 0.9838 0.9888 0.9829 0.9885 0.9901 0.8842 0.9356 1.0069 1.3816 1.3762 1.3806 0.9338 1.4461 0.9756 1.4028 1.4534 0.9766 0.9685 1.4296 1.3772 1.4325 0.9713 1.4376 0.9659 1.4302 0.9731 1.4268 0.9723 0.9759 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 -0.029449990 -11427.143043639295 -154.28952 154.64601 0.35649 36.97017 -36.98782 -0.01765 -70.14886 68.93556 -1.21330 1.26471 3.21463