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 Br Cl Cl O O N N N N N 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 2 3 3 4 4 4 4 4 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 6 469.03489999999977 AuxInfo=1/0/N:18,28,27,25,26,16,17,20,12,19,13,24,14,23,11,22,21,15,1,2,3,9,10,6,8,7,5,4/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,23.2,25.2,27.1,28.1/rA:42nBrClClO1O1NNN2NN2C3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHH/rB:;;;;;;s7;;;s6;s11;s11;s7;s4s6s14;s12;s13;s12;s2s16s17;s14;s5s9s13;s7s10;s1s8s20;s3s22;s24;s10;s25s26;s9;s6;s16;s17;s18;s18;s18;s20;s9;s25;s26;s27;s28;s28;s28;/rC:-4.7374,-2.2635,-.8656;6.8964,-1.282,.4045;-1.8624,2.1264,-2.8416;.705,.9136,-.3918;1.3877,.1298,2.6082;1.0089,-1.2887,.0472;-2.0992,.5334,-.337;-3.3433,.102,-.4976;2.7264,1.8178,1.9348;-1.8109,2.3455,1.0937;2.4118,-1.2627,.1519;3.1417,-2.1715,-.6202;3.0635,-.3576,.9915;-1.1935,-.474,-.3455;.2552,-.2072,-.2285;4.5279,-2.1744,-.5233;4.4519,-.3584,1.0571;2.4468,-3.126,-1.542;5.1686,-1.2696,.3036;-1.9074,-1.636,-.5301;2.2973,.5511,1.9074;-1.8813,1.9236,-.1463;-3.2337,-1.2005,-.6161;-1.7803,2.7613,-1.2485;-1.592,4.1143,-1.0281;-1.6287,3.6412,1.3098;-1.5132,4.5613,.2801;2.0922,2.8315,2.7416;.5586,-2.1886,.1373;5.1017,-2.8784,-1.1121;4.9674,.327,1.7168;1.8433,-3.8526,-.9929;1.7772,-2.6041,-2.2277;3.1664,-3.6852,-2.1372;-1.5358,-2.6448,-.6093;3.3849,2.1191,1.234;-1.5034,4.8023,-1.8579;-1.5734,3.9575,2.3438;-1.3633,5.6099,.4956;1.9128,2.4696,3.7522;1.1394,3.1537,2.3157;2.7516,3.6936,2.802; 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 1539 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 242 Dim 1103 ENuc 3406.2845559808 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 4.154e-06 Time for diagonalization 0.292 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.246 sec Total time needed 0.543 sec 35 17 17 8 8 7 7 7 7 7 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 1 469.03489999999977 AuxInfo=1/0/N:18,28,27,25,26,16,17,20,12,19,13,24,14,23,11,22,21,15,1,2,3,9,10,6,8,7,5,4/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,23.2,25.2,27.1,28.1/rA:42nBrClClO1O1NNN2NN2C3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHH/rB:;;;;;;s7;;;s6;s11;s11;s7;s4s6s14;s12;s13;s12;s2s16s17;s14;s5s9s13;s7s10;s1s8s20;s3s22;s24;s10;s25s26;s9;s6;s16;s17;s18;s18;s18;s20;s9;s25;s26;s27;s28;s28;s28;/rC:-4.7374,-2.2635,-.8656;6.8964,-1.282,.4045;-1.8624,2.1264,-2.8416;.705,.9136,-.3918;1.3877,.1298,2.6082;1.0089,-1.2887,.0472;-2.0992,.5334,-.337;-3.3433,.102,-.4976;2.7264,1.8178,1.9348;-1.8109,2.3455,1.0937;2.4118,-1.2627,.1519;3.1417,-2.1715,-.6202;3.0635,-.3576,.9915;-1.1935,-.474,-.3455;.2552,-.2072,-.2285;4.5279,-2.1744,-.5233;4.4519,-.3584,1.0571;2.4468,-3.126,-1.542;5.1686,-1.2696,.3036;-1.9074,-1.636,-.5301;2.2973,.5511,1.9074;-1.8813,1.9236,-.1463;-3.2337,-1.2005,-.6161;-1.7803,2.7613,-1.2485;-1.592,4.1143,-1.0281;-1.6287,3.6412,1.3098;-1.5132,4.5613,.2801;2.0922,2.8315,2.7416;.5586,-2.1886,.1373;5.1017,-2.8784,-1.1121;4.9674,.327,1.7168;1.8433,-3.8526,-.9929;1.7772,-2.6041,-2.2277;3.1664,-3.6852,-2.1372;-1.5358,-2.6448,-.6093;3.3849,2.1191,1.234;-1.5034,4.8023,-1.8579;-1.5734,3.9575,2.3438;-1.3633,5.6099,.4956;1.9128,2.4696,3.7522;1.1394,3.1537,2.3157;2.7516,3.6936,2.802; 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 cpcm smd true smdsolvent "1-OCTANOL" 469.03489999999977 AuxInfo=1/0/N:18,28,27,25,26,16,17,20,12,19,13,24,14,23,11,22,21,15,1,2,3,9,10,6,8,7,5,4/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,23.2,25.2,27.1,28.1/rA:42nBrClClO1O1NNN2NN2C3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHH/rB:;;;;;;s7;;;s6;s11;s11;s7;s4s6s14;s12;s13;s12;s2s16s17;s14;s5s9s13;s7s10;s1s8s20;s3s22;s24;s10;s25s26;s9;s6;s16;s17;s18;s18;s18;s20;s9;s25;s26;s27;s28;s28;s28;/rC:-4.7374,-2.2635,-.8656;6.8964,-1.282,.4045;-1.8624,2.1264,-2.8416;.705,.9136,-.3918;1.3877,.1298,2.6082;1.0089,-1.2887,.0472;-2.0992,.5334,-.337;-3.3433,.102,-.4976;2.7264,1.8178,1.9348;-1.8109,2.3455,1.0937;2.4118,-1.2627,.1519;3.1417,-2.1715,-.6202;3.0635,-.3576,.9915;-1.1935,-.474,-.3455;.2552,-.2072,-.2285;4.5279,-2.1744,-.5233;4.4519,-.3584,1.0571;2.4468,-3.126,-1.542;5.1686,-1.2696,.3036;-1.9074,-1.636,-.5301;2.2973,.5511,1.9074;-1.8813,1.9236,-.1463;-3.2337,-1.2005,-.6161;-1.7803,2.7613,-1.2485;-1.592,4.1143,-1.0281;-1.6287,3.6412,1.3098;-1.5132,4.5613,.2801;2.0922,2.8315,2.7416;.5586,-2.1886,.1373;5.1017,-2.8784,-1.1121;4.9674,.327,1.7168;1.8433,-3.8526,-.9929;1.7772,-2.6041,-2.2277;3.1664,-3.6852,-2.1372;-1.5358,-2.6448,-.6093;3.3849,2.1191,1.234;-1.5034,4.8023,-1.8579;-1.5734,3.9575,2.3438;-1.3633,5.6099,.4956;1.9128,2.4696,3.7522;1.1394,3.1537,2.3157;2.7516,3.6936,2.802; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br Cl O N C H 3.0600 2.3800 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2326 GEPOL Volume 3382.0869 GEPOL Surface-area 1714.8808 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.3s -4613.33344490 3406.28455598 -8019.61800089 -13158.17276311 5138.55476222 -0.05100431 -9217.12994421 4603.79649931 2.00207154 121.000042604994 121.000042604994 242.000085209989 -219.220456451072 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -13141.5271 -2765.6503 -2765.3710 -1704.0699 -1535.3978 -1535.3277 -1535.3276 -523.0366 -522.5846 -395.3457 -393.7141 -393.7014 -393.1822 -393.0392 -283.3160 -282.6973 -282.3703 -281.9983 -281.9804 -281.6303 -281.4865 -281.3229 -280.9943 -280.6685 -280.5353 -280.5017 -280.3013 -280.2515 -280.2507 -280.2232 -280.1415 -279.5487 -260.9184 -260.6429 -240.1033 -199.7594 -199.5165 -199.5062 -199.4770 -199.2432 -199.2355 -180.9503 -180.6366 -180.6310 -75.1491 -75.0585 -75.0537 -74.7964 -74.7961 -33.2060 -32.2941 -31.7421 -30.0219 -29.3576 -28.4961 -27.7892 -27.6347 -27.1237 -26.3712 -25.6549 -25.3387 -24.9112 -24.8137 -23.6175 -23.4659 -22.6723 -22.1574 -21.3986 -20.9816 -20.6555 -20.3288 -19.8833 -19.1686 -18.8849 -18.7847 -18.7082 -17.5882 -17.3272 -16.9601 -16.8539 -16.6904 -16.2255 -15.8138 -15.6323 -15.5045 -15.4668 -15.1199 -15.0853 -14.9103 -14.8086 -14.6815 -14.4970 -14.3892 -14.1777 -14.0902 -13.8624 -13.6979 -13.5822 -13.4797 -13.2060 -13.1323 -12.7947 -12.7479 -12.6774 -12.0304 -11.9286 -11.7064 -11.5387 -11.3573 -10.9272 -10.8633 -10.7766 -10.5090 -10.3991 -10.0766 -9.9654 -9.7280 -9.5236 -9.4877 -9.4355 -8.8377 0.3872 0.6983 1.0022 1.0509 1.4316 2.4033 2.7031 2.8818 2.9702 3.1391 3.3241 3.5556 4.0280 4.3032 4.3625 4.4669 4.6570 4.7469 4.8670 4.9579 5.0637 5.1577 5.2796 5.3814 5.5076 5.5923 5.7408 5.8269 5.9230 6.0962 6.1615 6.2860 6.5104 6.6402 6.8831 7.0012 7.0219 7.0885 7.2926 7.3378 7.4608 7.5619 7.7088 7.8750 8.0005 8.0762 8.1402 8.2276 8.4298 8.5463 8.6468 8.6571 8.7042 8.8082 8.8819 8.9795 9.1165 9.1754 9.2127 9.3843 9.5684 9.5933 9.6061 9.7421 9.9100 9.9784 10.1013 10.2504 10.3337 10.4561 10.5095 10.6291 10.7310 10.8684 10.8880 11.0041 11.0274 11.1319 11.3312 11.4737 11.5355 11.6000 11.6747 11.8190 12.0171 12.0407 12.1049 12.1794 12.1973 12.3232 12.4273 12.4920 12.5340 12.7311 12.7681 12.8568 12.9716 13.1975 13.2502 13.3374 13.4892 13.5427 13.6351 13.6634 13.7451 13.8818 13.9760 14.0755 14.2003 14.3317 14.4462 14.5247 14.6895 14.7215 14.7979 15.0187 15.0430 15.1402 15.2214 15.3329 15.4409 15.5339 15.5849 15.6594 15.8935 16.0749 16.2373 16.3030 16.3673 16.4684 16.5928 16.7529 16.8937 16.9379 17.0778 17.3478 17.4047 17.4703 17.6871 17.8397 17.8867 17.9989 18.1521 18.2545 18.4028 18.4993 18.7101 18.7190 18.8449 18.9133 19.0046 19.0983 19.1957 19.4406 19.5419 19.5899 19.7031 19.8500 19.9921 20.1133 20.1949 20.4158 20.4300 20.5982 20.6568 20.8803 21.0199 21.1038 21.2978 21.4319 21.4540 21.6850 21.8395 21.9875 22.0904 22.1767 22.2651 22.3090 22.5877 22.7293 22.7831 22.8909 23.1410 23.2695 23.4641 23.6043 23.7255 23.7923 23.9240 24.1107 24.1421 24.2986 24.6808 24.7692 24.9094 25.0968 25.2050 25.3318 25.5404 25.8372 25.9188 26.0879 26.3556 26.4340 26.6266 26.7050 26.9684 27.1005 27.2478 27.4350 27.5083 27.6960 27.7334 28.0805 28.0952 28.2258 28.4779 28.5030 28.7004 28.7648 28.9551 29.0558 29.2306 29.5068 29.5744 29.6962 29.8019 29.9077 30.0775 30.2134 30.2592 30.4593 30.6169 30.6515 30.9396 30.9689 31.1150 31.1161 31.4376 31.5634 31.5883 31.7272 31.8118 32.0375 32.1360 32.3295 32.5272 32.6412 32.7528 32.9800 33.2328 33.3062 33.4113 33.7660 33.7848 34.2444 34.3444 34.5004 34.6970 35.0349 35.0986 35.1731 35.4258 35.5514 35.7320 35.8632 35.9889 36.2642 36.4419 36.5191 36.6835 36.7948 36.8549 37.1504 37.2308 37.4409 37.5103 37.7053 37.8721 38.0585 38.1114 38.4213 38.5361 38.6186 38.6780 38.8704 38.9365 39.1748 39.3146 39.3336 39.4372 39.5754 39.7205 39.8209 39.9669 40.1015 40.3507 40.5292 40.6211 40.7348 40.8381 41.1778 41.3700 41.4599 41.5978 41.8943 42.0377 42.1392 42.1798 42.3528 42.4931 42.6110 42.7915 43.0013 43.1400 43.4192 43.4909 43.6480 43.8200 43.8773 43.9297 44.1305 44.2054 44.3786 44.4467 44.5530 44.7715 44.8580 44.8895 44.9495 45.0695 45.2413 45.4167 45.5088 45.8566 45.9117 46.2290 46.3006 46.3488 46.5357 46.6287 46.8388 46.8692 47.0941 47.1218 47.3892 47.4954 47.5879 47.6814 47.8374 47.9477 48.0673 48.2950 48.4773 48.6198 48.7572 48.9779 49.3529 49.4678 49.6539 49.8507 49.9097 50.1175 50.5883 50.6511 50.6737 50.8178 51.1075 51.2181 51.3665 51.6113 51.6967 51.7970 51.8765 52.0540 52.1393 52.2477 52.3470 52.4751 52.6880 52.7974 52.9351 53.0404 53.2038 53.4352 53.7097 53.8575 54.0045 54.0974 54.2144 54.6583 54.8476 54.9869 55.0649 55.1753 55.4990 55.6767 55.8783 56.0809 56.2804 56.4577 56.4975 56.8534 57.3165 57.4479 57.5672 57.9011 58.0016 58.2582 58.3586 58.5622 58.8488 59.1310 59.3308 59.3581 59.4942 59.6567 59.7784 59.8856 60.0608 60.1852 60.5692 60.6074 60.7952 61.0894 61.1945 61.3244 61.7533 61.9172 62.0382 62.2914 62.5323 62.8436 62.9101 63.1580 63.4250 63.5775 63.7929 63.9890 64.1749 64.4009 64.6187 64.7213 64.8239 64.9436 65.0921 65.2647 65.4038 65.5468 65.7831 65.8868 66.1385 66.2848 66.4215 66.6891 66.8175 67.1536 67.3317 67.6872 67.9671 68.0685 68.3595 68.5160 69.2206 69.5257 69.6622 69.9704 70.3250 70.9281 71.1352 71.5382 71.6413 71.8053 71.9645 72.4411 72.5116 72.6674 73.1027 73.1592 73.3244 73.5599 74.0867 74.3907 74.5318 74.7817 75.1199 75.2329 75.4233 75.5079 75.9362 76.0092 76.2928 76.4186 76.5645 76.5924 76.7494 77.1284 77.3195 77.5346 77.7694 77.8783 78.0778 78.1214 78.3556 78.4645 79.0560 79.2107 79.3338 79.4552 79.5864 79.7361 80.0063 80.1724 80.4260 80.6920 80.8719 80.9219 81.1683 81.2994 81.3491 81.3637 81.6270 81.7522 81.7961 81.9163 82.2370 82.3656 82.4727 82.5520 82.7265 82.8875 83.0534 83.2056 83.3175 83.3983 83.5843 83.7225 83.7920 83.8679 84.0365 84.1464 84.2918 84.4134 84.6134 84.7182 84.8777 84.9602 85.1386 85.1798 85.3745 85.5998 85.6751 85.9084 86.1570 86.3415 86.3682 86.6426 86.6483 86.8080 86.9863 87.1513 87.3072 87.4620 87.6647 87.7018 87.8454 88.0652 88.2086 88.3115 88.4686 88.6775 88.7411 88.9234 88.9853 89.1212 89.2992 89.4568 89.5386 89.6264 89.7414 89.8297 90.0872 90.3812 90.5454 90.5883 90.6877 91.0092 91.1526 91.3451 91.4233 91.6357 91.8311 91.9278 91.9491 91.9910 92.3744 92.5639 92.7120 92.7472 93.0067 93.0721 93.2187 93.3697 93.4878 93.6787 93.9139 94.0808 94.2204 94.3849 94.4763 94.7846 94.8595 94.9587 95.0797 95.2874 95.4843 95.5700 95.6112 96.0082 96.0787 96.2753 96.3938 96.5785 96.7984 96.9126 97.0455 97.1597 97.3197 97.4779 97.6264 97.6626 97.9123 98.0515 98.1216 98.3228 98.4100 98.4638 98.6862 98.8686 99.1392 99.3454 99.4900 99.6044 99.6863 99.7262 99.8860 100.1011 100.1612 100.4062 100.5112 100.8263 100.8887 101.1116 101.5583 101.7603 101.8888 102.3064 102.4450 102.4889 102.8289 103.1304 103.1899 103.7311 103.7965 103.8483 103.9682 104.2795 104.3389 104.6190 104.8324 104.8982 105.1728 105.1936 105.5596 105.9013 105.9896 106.0101 106.3131 106.7088 106.8364 106.9843 107.2247 107.2981 107.5760 107.6539 107.7114 107.8242 107.9603 108.1262 108.2261 108.5095 108.6732 108.8068 109.0533 109.1969 109.3873 109.5806 109.7752 109.8614 110.0254 110.1488 110.4350 110.6141 111.1845 111.3114 111.3389 111.5361 111.5936 111.8314 111.9132 112.1020 112.2098 112.5665 112.7622 113.1250 113.2007 113.3960 113.5729 113.7252 113.9396 114.1651 114.4081 114.5941 114.7192 114.7468 114.9372 115.1921 115.4637 115.5182 115.5630 116.0885 116.1775 116.2497 116.4006 116.5928 116.8093 116.9874 117.1019 117.2634 117.4633 117.5814 117.7328 117.7785 118.1701 118.1960 118.4125 118.5991 118.9284 119.0732 119.4403 119.4701 119.5616 119.6350 119.9731 120.1551 120.6007 120.8359 120.8591 121.0349 121.1637 121.4892 121.6083 122.2403 122.4262 122.7316 123.1763 123.3500 123.4278 123.6566 123.9715 124.1101 124.2527 124.3786 124.5799 124.8744 125.2474 125.3932 125.5869 125.9705 126.0524 126.2866 126.5795 126.9152 127.8027 128.2705 128.4752 128.8794 129.1292 129.5138 129.7691 129.9089 130.2385 130.6204 130.8607 131.0577 131.6319 131.8495 131.9742 132.2695 132.4854 132.7384 133.0898 133.4473 133.5468 133.8745 134.2329 134.3770 134.8105 134.9186 135.3442 135.3681 135.6671 135.9062 136.0012 136.2794 136.7375 136.8182 137.0791 137.2479 137.8399 137.9983 138.2226 138.4268 138.7594 138.9241 139.3388 139.7583 140.0709 140.2900 140.4636 140.7210 141.2644 141.6466 142.0486 142.3014 142.3756 142.6051 142.8646 143.1506 143.3130 143.5723 143.7434 143.9497 144.2000 144.5340 144.6262 144.9289 145.1203 145.4010 145.5772 146.1354 146.2788 146.3378 146.5287 146.9493 147.0206 147.3464 147.4247 147.4513 147.6257 148.2455 148.5549 148.8145 148.9958 149.5196 149.7456 149.8332 150.1274 150.2367 150.3121 150.9449 151.2427 151.6690 151.8363 152.1484 152.5225 152.7329 153.1860 153.6214 153.7893 153.9488 154.3237 154.3662 154.6272 154.6937 155.0240 155.1380 155.7762 156.3130 156.4985 157.0010 157.3876 157.7491 157.9679 158.2918 158.7343 159.0672 160.2191 160.2757 160.4783 161.0172 161.0643 161.6316 162.0191 163.2779 163.9080 165.3454 165.3773 166.5275 166.8140 167.6375 168.5796 169.9696 170.3380 171.3944 172.0373 172.5142 173.5584 176.1429 176.9717 177.9873 178.2688 179.4081 180.5042 181.1633 181.8646 182.1838 183.7213 185.7631 190.0433 190.4330 190.8395 192.8983 195.9425 196.6866 197.1172 199.2218 201.4457 215.0999 221.5840 221.9897 223.0893 223.4958 223.6492 223.9376 227.4940 227.5889 229.5913 229.6851 294.9071 295.2188 297.6768 298.3290 312.6558 313.1897 615.2796 619.8848 623.6753 625.7480 630.3908 633.3229 633.7762 634.2954 634.6355 636.0322 637.5444 641.9062 644.7281 644.9581 645.8186 646.5070 648.1521 653.2235 714.0953 715.5525 882.3152 891.3995 900.2808 902.9071 905.0329 1201.1590 1203.1618 -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 Br Cl Cl O O N N N N N 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 0.001439 -0.086715 -0.049984 -0.472742 -0.504825 -0.140766 0.181057 -0.281832 -0.170230 -0.323194 0.089176 -0.070126 -0.000550 -0.036403 0.361635 -0.106300 -0.173093 -0.240147 0.101939 -0.153335 0.333161 0.158683 -0.002293 0.032362 -0.095158 -0.014105 -0.087011 -0.160762 0.187396 0.125591 0.129052 0.110532 0.113187 0.096881 0.174192 0.183147 0.148466 0.153332 0.163134 0.106459 0.102533 0.116216 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 Br Cl Cl O O N N N N N 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 34.9986 17.0867 17.0500 8.4727 8.5048 7.1408 6.8189 7.2818 7.1702 7.3232 5.9108 6.0701 6.0006 6.0364 5.6384 6.1063 6.1731 6.2401 5.8981 6.1533 5.6668 5.8413 6.0023 5.9676 6.0952 6.0141 6.0870 6.1608 0.8126 0.8744 0.8709 0.8895 0.8868 0.9031 0.8258 0.8169 0.8515 0.8467 0.8369 0.8935 0.8975 0.8838 35.0000 17.0000 17.0000 8.0000 8.0000 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 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 0.0014 -0.0867 -0.0500 -0.4727 -0.5048 -0.1408 0.1811 -0.2818 -0.1702 -0.3232 0.0892 -0.0701 -0.0006 -0.0364 0.3616 -0.1063 -0.1731 -0.2401 0.1019 -0.1533 0.3332 0.1587 -0.0023 0.0324 -0.0952 -0.0141 -0.0870 -0.1608 0.1874 0.1256 0.1291 0.1105 0.1132 0.0969 0.1742 0.1831 0.1485 0.1533 0.1631 0.1065 0.1025 0.1162 1.2333 1.2175 1.2690 2.0377 2.0159 3.2752 3.3104 2.8412 3.1995 3.0636 3.7786 3.8971 3.6996 3.9327 4.1406 3.9675 4.0800 3.9054 3.8767 3.8814 4.1653 3.9554 4.2601 4.0089 3.9878 4.0066 3.8538 3.9079 0.9983 1.0161 1.0349 0.9941 0.9968 1.0062 0.9905 1.0007 1.0054 0.9949 0.9876 1.0025 0.9815 0.9990 1.2333 1.2175 1.2690 2.0377 2.0159 3.2752 3.3104 2.8412 3.1995 3.0636 3.7786 3.8971 3.6996 3.9327 4.1406 3.9675 4.0800 3.9054 3.8767 3.8814 4.1653 3.9554 4.2601 4.0089 3.9878 4.0066 3.8538 3.9079 0.9983 1.0161 1.0349 0.9941 0.9968 1.0062 0.9905 1.0007 1.0054 0.9949 0.9876 1.0025 0.9815 0.9990 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1688 0.9915 1.1638 1.8559 1.9266 0.9325 1.3112 0.9530 1.0335 1.2754 0.9531 0.1248 1.5947 1.3502 0.9123 0.9654 1.5078 1.4524 1.3909 1.3909 1.4129 0.9551 1.4331 0.8360 0.9512 1.4996 1.4047 0.9723 1.4237 0.9565 0.9765 0.9884 0.9920 1.3660 0.9442 1.3484 1.4011 1.4110 0.9715 1.4050 0.9792 0.9686 0.9883 0.9735 0.9845 0 22 1 18 2 23 3 14 4 20 5 10 5 14 5 28 6 7 6 13 6 21 7 13 7 22 8 20 8 27 8 35 9 21 9 25 10 11 10 12 11 15 11 17 12 16 12 20 13 14 13 19 15 18 15 29 16 18 16 30 17 31 17 32 17 33 19 22 19 34 21 23 23 24 24 26 24 36 25 26 25 37 26 38 27 39 27 40 27 41 -0.025327989 -4613.358772893291 56.62772 -54.71882 1.90890 27.69260 -26.84686 0.84574 17.00320 -17.97782 -0.97462 2.30414 5.85667