Orca 5.0.2 RELEASE 1 2 3 4 5 6 17s13p8d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 6s5p4d1f 5s5p3d1f 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 Br Cl O O N N N N N N 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 1 2 3 3 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 459.59929999999974 AuxInfo=1/0/N:19,29,28,25,27,15,17,21,26,12,18,13,24,14,23,11,22,20,16,1,2,10,8,9,5,7,6,4,3/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.2,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,22.1,24.2,26.2,28.1,29.1/rA:43nBrClO1O1NNN2NN2N1C3C3C3C3C3C3C3C3CC3C3C3C3C3C3C2C3C3CHHHHHHHHHHHHHH/rB:;;;;;s6;;;;s5;s11;s11;s6;s12;s3s5s14;s13;s15s17;s12;s4s8s13;s14;s6s9;s1s7s21;s2s22;s24;s10s18;s9;s25s27;s8;s5;s15;s17;s19;s19;s19;s21;s8;s25;s27;s28;s29;s29;s29;/rC:4.7122,-1.1113,1.9956;.0687,2.3595,-.0827;-1.4784,-.4745,1.1188;.3521,.0718,-3.0694;-.484,-1.2325,-.7901;1.1404,.4044,1.969;2.398,.3567,2.3935;-1.3227,1.443,-3.6951;.089,1.4284,3.7597;-6.1305,-2.1289,-4.3921;-1.671,-1.4116,-1.5137;-2.6258,-2.3393,-1.0806;-1.8786,-.6662,-2.6843;.8726,-.5385,1.0319;-3.7803,-2.4949,-1.8343;-.4842,-.7315,.4807;-3.0293,-.8621,-3.4304;-3.9888,-1.7708,-3.0016;-2.4207,-3.1892,.1344;-.8411,.3064,-3.1554;2.0339,-1.2454,.847;.2875,1.4182,2.4641;2.9384,-.6346,1.7307;-.2643,2.3666,1.6059;-1.0851,3.3393,2.1464;-5.1744,-1.9704,-3.7707;-.6802,2.3691,4.2804;-1.2997,3.3425,3.5136;-.4516,2.4815,-4.1923;.3321,-1.0347,-1.3577;-4.5246,-3.2145,-1.5184;-3.18,-.3295,-4.3603;-3.0033,-4.1064,.0622;-1.3745,-3.4674,.2571;-2.7282,-2.6644,1.0385;2.2021,-2.094,.2065;-2.2936,1.6635,-3.5581;-1.5346,4.0866,1.5075;-.8104,2.3408,5.3551;-1.9317,4.0891,3.9732;.3644,2.0453,-4.763;-.0216,3.0813,-3.3874;-1.0206,3.136,-4.8487; 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 1586 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 238 Dim 1123 ENuc 3355.4745511516 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 3.936e-06 Time for diagonalization 0.304 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.263 sec Total time needed 0.573 sec 35 17 8 8 7 7 7 7 7 7 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 1 459.59929999999974 AuxInfo=1/0/N:19,29,28,25,27,15,17,21,26,12,18,13,24,14,23,11,22,20,16,1,2,10,8,9,5,7,6,4,3/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.2,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,22.1,24.2,26.2,28.1,29.1/rA:43nBrClO1O1NNN2NN2N1C3C3C3C3C3C3C3C3CC3C3C3C3C3C3C2C3C3CHHHHHHHHHHHHHH/rB:;;;;;s6;;;;s5;s11;s11;s6;s12;s3s5s14;s13;s15s17;s12;s4s8s13;s14;s6s9;s1s7s21;s2s22;s24;s10s18;s9;s25s27;s8;s5;s15;s17;s19;s19;s19;s21;s8;s25;s27;s28;s29;s29;s29;/rC:4.7122,-1.1113,1.9956;.0687,2.3595,-.0827;-1.4784,-.4745,1.1188;.3521,.0718,-3.0694;-.484,-1.2325,-.7901;1.1405,.4044,1.969;2.398,.3567,2.3935;-1.3227,1.443,-3.6951;.089,1.4284,3.7597;-6.1305,-2.1289,-4.3921;-1.671,-1.4116,-1.5137;-2.6258,-2.3393,-1.0806;-1.8786,-.6662,-2.6843;.8726,-.5385,1.0319;-3.7803,-2.4949,-1.8343;-.4842,-.7315,.4807;-3.0293,-.8621,-3.4304;-3.9888,-1.7708,-3.0016;-2.4207,-3.1892,.1344;-.8411,.3064,-3.1554;2.0339,-1.2454,.847;.2875,1.4182,2.4641;2.9384,-.6346,1.7307;-.2643,2.3666,1.6059;-1.0851,3.3393,2.1464;-5.1744,-1.9704,-3.7707;-.6802,2.3692,4.2804;-1.2997,3.3425,3.5136;-.4516,2.4815,-4.1923;.3321,-1.0347,-1.3577;-4.5246,-3.2145,-1.5184;-3.18,-.3295,-4.3603;-3.0033,-4.1064,.0622;-1.3745,-3.4674,.2571;-2.7282,-2.6644,1.0385;2.2021,-2.094,.2065;-2.2936,1.6635,-3.5581;-1.5346,4.0866,1.5075;-.8104,2.3408,5.3551;-1.9317,4.0891,3.9732;.3644,2.0453,-4.763;-.0216,3.0813,-3.3874;-1.0206,3.136,-4.8487; 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 4 459.59929999999974 AuxInfo=1/0/N:19,29,28,25,27,15,17,21,26,12,18,13,24,14,23,11,22,20,16,1,2,10,8,9,5,7,6,4,3/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.2,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,22.1,24.2,26.2,28.1,29.1/rA:43nBrClO1O1NNN2NN2N1C3C3C3C3C3C3C3C3CC3C3C3C3C3C3C2C3C3CHHHHHHHHHHHHHH/rB:;;;;;s6;;;;s5;s11;s11;s6;s12;s3s5s14;s13;s15s17;s12;s4s8s13;s14;s6s9;s1s7s21;s2s22;s24;s10s18;s9;s25s27;s8;s5;s15;s17;s19;s19;s19;s21;s8;s25;s27;s28;s29;s29;s29;/rC:4.7122,-1.1113,1.9956;.0687,2.3595,-.0827;-1.4784,-.4745,1.1188;.3521,.0718,-3.0694;-.484,-1.2325,-.7901;1.1404,.4044,1.969;2.398,.3567,2.3935;-1.3227,1.443,-3.6951;.089,1.4284,3.7597;-6.1305,-2.1289,-4.3921;-1.671,-1.4116,-1.5137;-2.6258,-2.3393,-1.0806;-1.8786,-.6662,-2.6843;.8726,-.5385,1.0319;-3.7803,-2.4949,-1.8343;-.4842,-.7315,.4807;-3.0293,-.8621,-3.4304;-3.9888,-1.7708,-3.0016;-2.4207,-3.1892,.1344;-.8411,.3064,-3.1554;2.0339,-1.2454,.847;.2875,1.4182,2.4641;2.9384,-.6346,1.7307;-.2643,2.3666,1.6059;-1.0851,3.3393,2.1464;-5.1744,-1.9704,-3.7707;-.6802,2.3691,4.2804;-1.2997,3.3425,3.5136;-.4516,2.4815,-4.1923;.3321,-1.0347,-1.3577;-4.5246,-3.2145,-1.5184;-3.18,-.3295,-4.3603;-3.0033,-4.1064,.0622;-1.3745,-3.4674,.2571;-2.7282,-2.6644,1.0385;2.2021,-2.094,.2065;-2.2936,1.6635,-3.5581;-1.5346,4.0866,1.5075;-.8104,2.3408,5.3551;-1.9317,4.0891,3.9732;.3644,2.0453,-4.763;-.0216,3.0813,-3.3874;-1.0206,3.136,-4.8487; -4245.93183536 3355.47455115 -7601.40638651 -12542.44926425 4941.04287774 -8482.71705201 4236.78521665 2.00215886 119.000034950746 119.000034950746 238.000069901493 -206.770808429356 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -13141.3477 -2765.9356 -1703.8905 -1535.2189 -1535.1481 -1535.1479 -523.1803 -523.1105 -395.3408 -393.9120 -393.8177 -393.5684 -393.0875 -392.6650 -283.3896 -283.2529 -282.5745 -282.2451 -281.9257 -281.9126 -281.4772 -281.4375 -281.2635 -281.0394 -281.0210 -281.0197 -280.9910 -280.9556 -280.9447 -280.8239 -280.6523 -280.3226 -279.8989 -261.2046 -239.9238 -200.0451 -199.8021 -199.7935 -180.7731 -180.4565 -180.4500 -74.9717 -74.8801 -74.8751 -74.6149 -74.6147 -33.1752 -32.4645 -32.3238 -30.1507 -29.6067 -29.1704 -28.3122 -27.8853 -27.5591 -27.1511 -25.8684 -25.5258 -25.4503 -24.9747 -24.8522 -23.6229 -23.2696 -22.6549 -21.9756 -21.2596 -21.0296 -20.9429 -20.3547 -19.8591 -19.5855 -18.9740 -18.8045 -18.5431 -17.6520 -17.4111 -17.1833 -17.1059 -16.9278 -16.3570 -16.2197 -15.9145 -15.7583 -15.6365 -15.4119 -15.2769 -15.0234 -14.9587 -14.8593 -14.6697 -14.6210 -14.4952 -14.3706 -14.0639 -13.9697 -13.8827 -13.7715 -13.7383 -13.3796 -13.2472 -12.9083 -12.8372 -12.4238 -12.0997 -12.0843 -11.8233 -11.3904 -11.2203 -10.9368 -10.7797 -10.6139 -10.5177 -10.3996 -10.2819 -10.1228 -10.0530 -9.7831 -9.3634 -9.1786 -0.1871 0.3701 0.4438 0.6235 1.2009 2.2024 2.4569 2.5499 2.6420 2.8244 2.9938 3.2349 3.2980 3.5747 3.9115 3.9439 4.0653 4.2534 4.3052 4.4761 4.5111 4.5888 4.7354 5.0019 5.0247 5.1142 5.1804 5.3941 5.4549 5.5155 5.5595 5.7935 5.9728 6.1751 6.3711 6.4651 6.5787 6.7578 6.8575 7.0070 7.1626 7.2031 7.3110 7.3711 7.4279 7.5250 7.6318 7.7223 7.8783 8.0458 8.1021 8.1998 8.2743 8.3851 8.5174 8.5896 8.5956 8.6687 8.8052 8.9453 9.0073 9.1012 9.1371 9.2146 9.4699 9.5450 9.6252 9.7308 9.7828 9.9135 10.0357 10.1219 10.1417 10.2739 10.5521 10.5974 10.6319 10.7675 10.8304 11.0268 11.0766 11.1911 11.2961 11.3511 11.4298 11.6136 11.7409 11.7882 11.8414 11.8534 12.0642 12.2021 12.3841 12.3889 12.4585 12.5982 12.6415 12.7883 12.8601 12.8750 13.0156 13.1114 13.1531 13.1917 13.3593 13.5017 13.5892 13.6137 13.7600 13.9187 14.0396 14.1798 14.2404 14.3207 14.4608 14.5986 14.6524 14.7612 14.7967 14.9878 15.0924 15.1243 15.2599 15.2716 15.3880 15.4340 15.5499 15.7543 15.8541 16.0355 16.1227 16.1832 16.3739 16.5720 16.6505 16.7971 16.8881 17.0032 17.0793 17.2616 17.3462 17.4002 17.4738 17.5689 17.6809 17.9729 17.9994 18.1273 18.3263 18.4128 18.5879 18.6381 18.7718 18.8190 19.0536 19.1850 19.2803 19.5097 19.5317 19.5555 19.7842 19.8914 20.0245 20.0629 20.1571 20.2773 20.2921 20.3868 20.5796 20.5961 20.7211 20.8818 20.9684 21.1058 21.1525 21.2722 21.5110 21.6284 21.7584 21.8719 21.9952 22.2076 22.3102 22.5046 22.5422 22.9292 23.0315 23.1287 23.2448 23.4537 23.4598 23.6265 23.8607 23.9292 24.0214 24.1383 24.2953 24.5824 24.7108 24.8102 24.9033 25.1123 25.1273 25.2421 25.3338 25.5636 25.7183 25.8349 26.1113 26.1393 26.3493 26.4469 26.8524 26.8935 27.0224 27.1634 27.3112 27.5031 27.6278 27.7618 27.8507 28.0538 28.2091 28.3414 28.4295 28.5339 28.8172 28.9667 29.1725 29.2623 29.2752 29.4182 29.6182 29.7465 29.8190 30.0028 30.1606 30.3383 30.5761 30.6396 30.8121 30.8969 30.9617 31.1871 31.3597 31.3741 31.5360 31.5963 31.6898 31.7538 31.9877 32.2639 32.3176 32.4403 32.6538 32.8757 32.9068 33.2839 33.3344 33.5666 33.6481 33.9019 34.0055 34.2047 34.3603 34.5552 34.6207 34.8466 35.0421 35.2044 35.3692 35.4289 35.5341 35.8708 36.0184 36.0761 36.2718 36.4126 36.4843 36.6787 36.8392 36.9067 37.0410 37.1846 37.2646 37.4080 37.5804 37.6356 37.7659 38.0511 38.2179 38.3933 38.5468 38.6409 38.7258 38.9448 38.9736 39.0031 39.1275 39.3395 39.3757 39.6446 39.6811 39.8623 39.9592 40.2510 40.2970 40.5430 40.6130 40.6846 40.8965 41.1791 41.3211 41.4047 41.4924 41.6250 41.9355 42.0052 42.1930 42.2596 42.3802 42.5656 42.6860 42.8089 42.9131 42.9834 43.1761 43.2230 43.3756 43.4910 43.5331 43.7465 43.8430 43.9928 44.1684 44.2319 44.3150 44.4118 44.5841 44.6940 44.7302 44.9966 45.0882 45.2576 45.3948 45.6017 45.7736 45.8862 45.9546 46.1016 46.3373 46.5201 46.6593 46.7294 46.8834 46.9797 47.1669 47.2014 47.3761 47.4906 47.7058 47.8340 47.9632 48.1101 48.2508 48.4116 48.5641 48.8633 48.9107 49.0178 49.1086 49.3733 49.5557 49.8451 50.0152 50.2509 50.2972 50.5050 50.7397 51.0997 51.3341 51.4056 51.4931 51.7617 51.9698 52.2721 52.4311 52.6649 52.9324 53.1079 53.2119 53.3288 53.7377 53.7676 53.9204 54.0567 54.3686 54.4489 54.7456 54.7606 55.0648 55.0978 55.3103 55.4403 55.5967 55.7069 55.8556 56.0954 56.2787 56.4756 56.6161 56.8609 57.0396 57.1161 57.2865 57.4457 57.7724 57.9823 58.0671 58.3393 58.4555 58.5927 58.9888 59.2382 59.7181 59.8074 59.8776 60.0299 60.3650 60.7640 60.9347 61.3642 61.6260 61.7250 62.1417 62.3002 62.5334 62.5985 62.7161 63.0112 63.2290 63.4063 63.6739 63.7882 64.1091 64.3265 64.5071 64.7843 64.9320 65.1686 65.2496 65.3959 65.4787 65.9305 65.9911 66.2014 66.3717 66.6686 66.9120 67.3018 67.3876 67.5316 67.5779 67.8323 68.1403 68.6473 68.8822 68.9858 69.2697 69.5585 69.7300 70.0829 70.3761 70.4990 70.6777 71.0171 71.0815 71.6794 71.8004 71.9529 72.3074 72.5072 72.6377 72.7279 72.9888 73.0504 73.2808 73.5973 73.7209 74.0542 74.1737 74.4472 74.5042 74.6863 74.7665 75.0513 75.3917 75.6276 75.7603 75.7781 75.9569 76.1598 76.4005 76.5021 76.8305 76.8878 77.1601 77.3575 77.4823 77.7766 77.9395 78.0494 78.3020 78.4035 78.6570 78.7235 78.8772 79.0178 79.2515 79.5119 79.7759 79.8685 80.0545 80.1236 80.3987 80.4777 80.6750 80.8256 81.0779 81.1540 81.3081 81.3962 81.4602 81.5459 81.8322 82.0132 82.0531 82.0787 82.2952 82.4108 82.5214 82.7483 82.8245 82.9985 83.0570 83.2651 83.2881 83.5733 83.6564 83.8829 83.9239 84.0852 84.2174 84.4758 84.5066 84.5881 84.7132 84.8147 85.0555 85.0852 85.2595 85.4837 85.6028 85.6977 86.0046 86.0567 86.2258 86.3448 86.3920 86.5521 86.6914 86.7499 86.9342 87.1046 87.4552 87.5927 87.6961 87.7477 87.8639 88.1212 88.2448 88.4160 88.4695 88.5108 88.5896 88.6919 88.8870 89.0601 89.1270 89.3900 89.4990 89.7292 89.8738 90.0764 90.1481 90.2660 90.4247 90.4612 90.6912 90.8711 90.9491 91.1780 91.4241 91.4794 91.6163 91.6661 91.9264 92.0903 92.1166 92.2566 92.3518 92.6093 92.7630 92.9156 92.9746 92.9909 93.2555 93.4511 93.5294 93.7553 93.8375 93.9679 94.1429 94.2624 94.3793 94.8321 94.8594 95.0348 95.0886 95.2047 95.3686 95.6056 95.7394 95.8305 95.8825 96.1097 96.3706 96.4164 96.5081 96.6709 96.8796 97.0378 97.1353 97.3250 97.4448 97.5451 97.7132 97.9964 98.0205 98.1163 98.4227 98.5687 98.6207 98.7466 99.0536 99.2206 99.3189 99.4188 99.6602 99.7857 99.8742 100.0340 100.4202 100.5783 100.8825 100.9854 101.3115 101.3990 101.5773 101.7008 102.0179 102.2395 102.2991 102.3533 102.7182 102.9990 103.4618 103.7313 103.8189 103.9936 104.2109 104.2601 104.5721 104.6344 104.8127 104.9192 105.0832 105.2737 105.5784 105.7769 105.9167 106.2012 106.3175 106.4816 106.5843 106.7245 106.8421 107.0085 107.0284 107.2593 107.3912 107.4855 107.7857 108.1168 108.2708 108.3831 108.5603 108.6532 108.8926 108.9327 109.1055 109.3087 109.5147 109.6463 109.7925 109.9966 110.2017 110.3883 110.4743 110.5526 110.6485 111.0916 111.1772 111.3230 111.6389 111.7310 111.8650 111.9537 112.1936 112.4493 112.4973 112.6049 112.9103 113.1369 113.3197 113.4219 113.5171 113.6777 113.9245 114.3181 114.3633 114.7063 114.8103 115.0052 115.1223 115.2267 115.2775 115.5572 115.7186 115.8525 115.9628 116.2234 116.2787 116.4840 116.5663 116.8386 117.0620 117.2580 117.2651 117.7419 117.8188 117.9957 118.0447 118.2700 118.3211 118.7256 118.9653 119.0241 119.1593 119.2700 119.7199 119.9753 120.1086 120.3079 120.5441 120.6709 120.9122 120.9825 121.2605 121.4625 121.6761 121.9070 122.0688 122.7305 123.1086 123.1956 123.4315 123.7140 123.7778 124.1330 124.3129 124.7925 124.9972 125.1686 125.4523 125.5395 125.8436 125.9645 126.2156 126.3730 126.7587 126.9554 127.0808 127.6306 127.6937 128.0433 128.2568 128.4526 128.5831 128.9516 129.4871 129.6500 129.6883 129.8659 130.2837 130.3642 130.9593 131.1960 131.5765 131.9975 132.4435 132.5135 132.6495 133.0719 133.6284 133.7906 133.9444 134.1206 134.3354 134.7479 134.8670 135.1436 135.2594 135.4841 135.6158 136.1538 136.2734 136.4844 137.1025 137.2613 137.4219 137.6776 137.9506 138.2173 138.3642 138.6207 138.8461 139.1285 139.4801 139.8912 140.0944 140.3714 140.5219 140.8603 141.5047 141.5527 141.8274 141.9612 142.1301 142.3033 142.6952 142.7772 143.0986 143.3140 143.7370 143.8273 144.1324 144.1835 144.4863 144.6821 144.7452 145.0865 145.1168 145.3736 145.7044 145.7855 145.8707 146.0351 146.3562 146.4010 146.6670 146.9309 147.0153 147.3236 147.6807 147.9833 148.0087 148.3345 148.4625 149.1156 149.3399 149.6272 149.7257 149.8108 150.0182 150.3140 150.4636 150.9702 151.0984 151.2949 151.7234 151.9125 152.4792 152.8963 153.1320 153.1765 153.4925 153.7664 154.0923 154.3830 154.8220 155.0411 155.3850 155.4508 156.2508 156.4023 156.6732 157.0415 157.4228 157.6461 158.1840 158.6617 158.7331 159.0362 159.2731 160.1113 160.3499 161.0269 161.2316 161.8497 162.1045 163.3626 163.8723 164.3361 164.5690 165.4555 166.1813 166.4886 167.5777 168.2985 169.0748 170.8374 171.6114 172.0833 173.1086 174.0633 175.4009 176.0973 176.8067 178.1069 178.5176 178.9936 179.7447 180.3444 182.2013 182.5141 184.1425 185.0530 189.4466 190.4389 190.7992 191.6586 195.9220 196.1404 197.0671 199.2519 199.9464 215.3439 223.8743 224.2030 225.1412 227.4733 230.4555 296.7002 299.6175 313.4551 618.1913 620.0974 623.9545 630.0238 631.9070 633.5243 633.6980 633.8772 634.3586 635.9313 637.4420 641.0539 643.4769 644.4781 644.9037 645.5259 646.2555 647.9454 657.9191 718.6175 876.1383 882.6301 890.5417 898.6025 901.0950 903.3982 1199.9166 1202.5511 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 Br Cl O O N N N N N N 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 0.009142 -0.060822 -0.356659 -0.426933 -0.203688 0.171889 -0.245885 -0.194307 -0.275470 -0.007760 0.147508 -0.011095 0.029584 0.023443 -0.130693 0.229121 -0.221645 0.194670 -0.241395 0.295873 -0.219845 0.194881 0.026830 0.050509 -0.095630 -0.205862 0.007510 -0.098888 -0.146280 0.193316 0.116500 0.137715 0.092008 0.097330 0.128515 0.155209 0.149051 0.123498 0.123151 0.131646 0.114412 0.099798 0.099745 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 Br Cl O O N N N N N N 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 34.9909 17.0608 8.3567 8.4269 7.2037 6.8281 7.2459 7.1943 7.2755 7.0078 5.8525 6.0111 5.9704 5.9766 6.1307 5.7709 6.2216 5.8053 6.2414 5.7041 6.2198 5.8051 5.9732 5.9495 6.0956 6.2059 5.9925 6.0989 6.1463 0.8067 0.8835 0.8623 0.9080 0.9027 0.8715 0.8448 0.8509 0.8765 0.8768 0.8684 0.8856 0.9002 0.9003 35.0000 17.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 7.0000 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 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 0.0091 -0.0608 -0.3567 -0.4269 -0.2037 0.1719 -0.2459 -0.1943 -0.2755 -0.0078 0.1475 -0.0111 0.0296 0.0234 -0.1307 0.2291 -0.2216 0.1947 -0.2414 0.2959 -0.2198 0.1949 0.0268 0.0505 -0.0956 -0.2059 0.0075 -0.0989 -0.1463 0.1933 0.1165 0.1377 0.0920 0.0973 0.1285 0.1552 0.1491 0.1235 0.1232 0.1316 0.1144 0.0998 0.0997 1.2362 1.2723 2.1315 2.0697 3.1560 3.3340 2.8770 3.1857 3.1047 3.1344 3.8604 3.9501 3.7334 3.7518 4.0292 4.2144 4.0426 3.7693 3.8746 4.1343 3.9931 3.9857 4.2327 3.9819 4.0016 4.0058 4.0587 3.8850 3.9133 1.0415 1.0188 1.0350 1.0042 1.0071 1.0036 1.0036 1.0216 1.0144 0.9994 0.9986 1.0041 0.9914 0.9989 1.2362 1.2723 2.1315 2.0697 3.1560 3.3340 2.8770 3.1857 3.1047 3.1344 3.8604 3.9501 3.7334 3.7518 4.0292 4.2144 4.0426 3.7693 3.8746 4.1343 3.9931 3.9857 4.2327 3.9819 4.0016 4.0058 4.0587 3.8850 3.9133 1.0415 1.0188 1.0350 1.0042 1.0071 1.0036 1.0036 1.0216 1.0144 0.9994 0.9986 1.0041 0.9914 0.9989 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1614 1.0879 2.0208 1.8843 0.9519 1.2290 0.9379 1.0376 1.2633 0.9706 0.1367 1.5968 1.2723 0.9218 0.9800 1.4912 1.4903 3.0327 1.4135 1.3786 1.4491 0.9429 1.4277 0.8984 0.8684 1.5635 1.4168 0.9614 1.4101 0.9340 0.9158 0.9827 0.9885 0.9821 1.3570 0.9456 1.3359 1.4249 1.4223 0.9683 1.4054 0.9893 0.9686 0.9825 0.9813 0.9830 0 22 1 23 2 15 3 19 4 10 4 15 4 29 5 6 5 13 5 21 6 13 6 22 7 19 7 28 7 36 8 21 8 26 9 25 10 11 10 12 11 14 11 18 12 16 12 19 13 15 13 20 14 17 14 30 16 17 16 31 17 25 18 32 18 33 18 34 20 22 20 35 21 23 23 24 24 27 24 37 26 27 26 38 27 39 28 40 28 41 28 42 -0.025180955 -4245.957016317291 -62.19239 61.69542 -0.49697 10.62823 -9.13245 1.49579 -29.28118 29.09123 -0.18994 1.58759 4.03533