Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 43 44 45 46 47 Cl S O O 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 H H H H H H H H H 1 2 3 3 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 6 6 6 6 6 6 6 6 6 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-5.3654,-1.0498,-1.5935;.9757,-2.5034,1.877;-1.1614,-1.4095,1.1647;.3893,-1.3826,-.4682;-2.6669,1.4248,-.515;-3.7163,.8734,-1.0651;3.7581,-.2567,-.4704;3.6831,1.2104,-.8718;3.5464,-.4553,1.0262;3.9685,1.473,-2.3479;3.6731,-1.9026,1.4855;3.0043,.8053,-3.3264;2.5534,-2.8297,1.0314;1.5489,1.2048,-3.1228;.0642,-1.6712,.6389;-2.0135,-.6437,.4187;-1.8161,.7327,.2306;-.6883,1.4959,.7974;-.1411,2.5388,.0503;-.1877,1.2455,2.0746;-3.1138,-1.2354,-.1384;.8965,3.2986,.5606;.8501,2.0117,2.5824;1.3984,3.0362,1.8275;-3.949,-.4013,-.8721;4.7352,-.6638,-.7564;3.0119,-.8252,-1.0303;4.3994,1.7809,-.2712;2.6983,1.6022,-.6047;2.573,-.0501,1.3209;4.2862,.1399,1.5696;4.9894,1.1515,-2.5782;3.9493,2.554,-2.5205;4.6135,-2.32,1.1102;3.7428,-1.9423,2.5754;3.3115,1.0634,-4.3434;3.0947,-.2823,-3.2596;2.3822,-2.7843,-.0437;2.7928,-3.8651,1.2756;1.1568,.847,-2.1706;.9136,.7921,-3.9066;1.4318,2.2906,-3.1433;-.5344,2.7485,-.9348;-.6201,.4765,2.6994;-3.3126,-2.2916,-.0226;1.317,4.0974,-.0357;1.2248,1.8076,3.5765;2.2121,3.6288,2.2238; 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 1482 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1119 ENuc 2586.0048679982 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 6.045e-06 Time for diagonalization 0.431 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.209 sec Total time needed 0.646 sec 17 16 8 8 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 1 1 1 1 1 1 1 1 1 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-5.3654,-1.0498,-1.5935;.9757,-2.5034,1.877;-1.1614,-1.4095,1.1647;.3893,-1.3826,-.4682;-2.6669,1.4248,-.515;-3.7163,.8734,-1.0651;3.7581,-.2567,-.4704;3.6831,1.2104,-.8718;3.5464,-.4553,1.0262;3.9685,1.473,-2.3479;3.6731,-1.9026,1.4855;3.0043,.8053,-3.3264;2.5534,-2.8297,1.0314;1.5489,1.2048,-3.1228;.0642,-1.6712,.6389;-2.0135,-.6437,.4187;-1.8161,.7327,.2306;-.6883,1.4959,.7974;-.1411,2.5388,.0503;-.1877,1.2455,2.0746;-3.1138,-1.2354,-.1384;.8965,3.2986,.5606;.8501,2.0117,2.5824;1.3984,3.0362,1.8275;-3.949,-.4013,-.8721;4.7352,-.6638,-.7564;3.0119,-.8252,-1.0303;4.3994,1.7809,-.2712;2.6983,1.6022,-.6047;2.573,-.0501,1.3209;4.2862,.1399,1.5696;4.9894,1.1515,-2.5782;3.9493,2.554,-2.5205;4.6135,-2.32,1.1102;3.7428,-1.9423,2.5754;3.3115,1.0634,-4.3434;3.0947,-.2823,-3.2596;2.3822,-2.7843,-.0437;2.7928,-3.8651,1.2756;1.1568,.847,-2.1706;.9136,.7921,-3.9066;1.4318,2.2906,-3.1433;-.5344,2.7485,-.9348;-.6201,.4765,2.6994;-3.3126,-2.2916,-.0226;1.317,4.0974,-.0357;1.2248,1.8076,3.5765;2.2121,3.6288,2.2238; 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 4 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-5.3654,-1.0498,-1.5935;.9757,-2.5034,1.877;-1.1614,-1.4095,1.1647;.3893,-1.3826,-.4682;-2.6669,1.4248,-.515;-3.7163,.8734,-1.0651;3.7581,-.2567,-.4704;3.6831,1.2104,-.8718;3.5464,-.4553,1.0262;3.9685,1.473,-2.3479;3.6731,-1.9026,1.4855;3.0043,.8053,-3.3264;2.5534,-2.8297,1.0314;1.5489,1.2048,-3.1228;.0642,-1.6712,.6389;-2.0135,-.6437,.4187;-1.8161,.7327,.2306;-.6883,1.4959,.7974;-.1411,2.5388,.0503;-.1877,1.2455,2.0746;-3.1138,-1.2354,-.1384;.8965,3.2986,.5606;.8501,2.0117,2.5824;1.3984,3.0362,1.8275;-3.949,-.4013,-.8721;4.7352,-.6638,-.7564;3.0119,-.8252,-1.0303;4.3994,1.7809,-.2712;2.6983,1.6022,-.6047;2.573,-.0501,1.3209;4.2862,.1399,1.5696;4.9894,1.1515,-2.5782;3.9493,2.554,-2.5205;4.6135,-2.32,1.1102;3.7428,-1.9423,2.5754;3.3115,1.0634,-4.3434;3.0947,-.2823,-3.2596;2.3822,-2.7843,-.0437;2.7928,-3.8651,1.2756;1.1568,.847,-2.1706;.9136,.7921,-3.9066;1.4318,2.2906,-3.1433;-.5344,2.7485,-.9348;-.6201,.4765,2.6994;-3.3126,-2.2916,-.0226;1.317,4.0974,-.0357;1.2248,1.8076,3.5765;2.2121,3.6288,2.2238; -1856.30777712 2586.00486800 -4442.31264512 -7684.06481097 3241.75216585 -3706.95554501 1850.64776788 2.00305839 100.000054245272 100.000054245272 200.000108490545 -138.241643796169 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.5883 -2421.3122 -525.7583 -523.8457 -393.8043 -393.7515 -284.5249 -282.7551 -282.7250 -281.6153 -281.0778 -280.9323 -280.4451 -280.1270 -280.0313 -280.0076 -279.9856 -279.9590 -279.9450 -279.4946 -279.2974 -279.2270 -279.2096 -279.1882 -278.9317 -260.8653 -219.8479 -199.7045 -199.4656 -199.4499 -164.1650 -164.0558 -163.9414 -34.7584 -32.2525 -31.8515 -27.9525 -27.1591 -26.5341 -26.0097 -25.4652 -25.1600 -24.4265 -23.9160 -23.7840 -23.4543 -22.5171 -21.8309 -21.6049 -20.7622 -20.0624 -19.7407 -19.6456 -19.2512 -18.6096 -18.2584 -17.9076 -17.6679 -17.2530 -16.9425 -16.4238 -16.2077 -15.9312 -15.7822 -15.5999 -15.2461 -15.2288 -15.1945 -15.0446 -14.9845 -14.5756 -14.4215 -14.2979 -14.1722 -13.6788 -13.5404 -13.4570 -13.1521 -12.7858 -12.7164 -12.6411 -12.5783 -12.4758 -12.2180 -12.1861 -11.8251 -11.7043 -11.5695 -11.5244 -11.4184 -11.1401 -11.0370 -10.9528 -10.8036 -10.7456 -10.5101 -9.8989 -9.6027 -9.3674 -9.0991 0.1132 0.2942 1.3943 1.8299 1.9972 2.2975 2.9014 2.9716 3.3213 3.3821 3.4550 3.8269 3.9015 3.9745 4.1815 4.2457 4.3393 4.4899 4.6519 4.9104 5.0156 5.0748 5.2328 5.2824 5.4028 5.5255 5.5888 5.6225 5.7893 5.8979 6.1041 6.1963 6.3702 6.4070 6.4634 6.6286 6.7382 6.9190 7.0901 7.1674 7.3608 7.3913 7.5192 7.6252 7.8048 7.9617 7.9748 8.0120 8.1244 8.2202 8.3033 8.3347 8.5338 8.6082 8.7206 8.8051 8.9700 9.0343 9.0808 9.2319 9.3097 9.3304 9.5731 9.7265 9.7809 9.9743 10.0648 10.0974 10.1823 10.2706 10.4744 10.6639 10.7752 10.8744 10.9897 11.0677 11.1021 11.1725 11.3798 11.4857 11.5310 11.6994 11.8119 12.0361 12.0949 12.1506 12.2211 12.4138 12.4724 12.5641 12.6766 12.8304 12.8776 13.0220 13.1595 13.1865 13.2147 13.3812 13.4251 13.5507 13.6547 13.7832 13.7908 13.8820 13.9825 14.1068 14.1427 14.1973 14.2999 14.4549 14.4643 14.5514 14.6605 14.7415 14.8577 15.0276 15.0582 15.1273 15.2435 15.3389 15.3831 15.4458 15.5419 15.6603 15.6848 15.7245 15.8754 15.9328 16.1074 16.2224 16.2494 16.3454 16.4893 16.5297 16.6029 16.7232 16.9627 17.0446 17.1236 17.1767 17.3654 17.3851 17.5151 17.8615 17.9866 18.0801 18.2180 18.4983 18.6651 18.7991 18.9218 19.0635 19.1512 19.3211 19.3847 19.5100 19.6664 19.7594 20.0722 20.2801 20.3215 20.4496 20.6485 20.7582 20.9375 21.1183 21.1691 21.2787 21.3300 21.4356 21.5953 21.6702 21.8410 21.9553 22.1367 22.2315 22.2699 22.4414 22.6136 22.6311 23.0664 23.2175 23.3277 23.3908 23.4992 23.5578 23.6553 23.8191 24.0981 24.2353 24.5219 24.7133 24.8569 24.9036 24.9590 25.0961 25.2815 25.4266 25.6023 25.8678 25.9741 26.2064 26.2831 26.4005 26.5214 26.7253 26.9734 27.0967 27.1270 27.3302 27.3970 27.5596 27.7088 27.7193 27.8733 28.2232 28.4057 28.5029 28.6796 28.8122 29.0166 29.1057 29.1609 29.3596 29.6069 29.7316 30.0503 30.0700 30.2325 30.3078 30.4463 30.5668 30.7417 30.9262 30.9982 31.2438 31.3620 31.5069 31.6177 31.8791 31.9722 32.0737 32.2358 32.2854 32.4157 32.4802 32.5667 32.8074 32.9425 32.9954 33.1111 33.2052 33.4219 33.4665 33.6802 33.7921 33.9274 33.9725 34.1477 34.1784 34.4312 34.5671 34.7070 34.9866 35.0970 35.3017 35.3816 35.4503 35.5570 35.7555 35.8752 36.1371 36.2864 36.3261 36.4637 36.6786 36.8040 36.9113 37.1799 37.3462 37.5339 37.6325 37.7188 37.8603 38.0750 38.1989 38.2949 38.5016 38.6227 38.6800 38.7912 38.9559 39.2750 39.3689 39.3955 39.5776 39.7671 39.9026 40.0725 40.1616 40.2014 40.4507 40.6682 40.7289 40.9047 40.9825 41.2440 41.2657 41.4701 41.5709 41.8884 42.0126 42.0910 42.1707 42.2585 42.3639 42.4717 42.6234 42.8532 43.0042 43.1024 43.2106 43.4622 43.5093 43.6842 43.8344 43.9459 43.9994 44.1666 44.3265 44.4384 44.5961 44.7578 44.8404 44.9462 45.1689 45.2820 45.3694 45.5307 45.6537 45.6748 45.9284 45.9385 46.0246 46.2476 46.4907 46.5427 46.7956 46.9821 47.0523 47.1030 47.1921 47.2809 47.5725 47.6987 47.7397 47.9118 47.9793 48.1073 48.2159 48.4614 48.6078 48.9044 49.1352 49.1860 49.5770 49.5900 49.6203 49.7907 49.8886 49.9234 50.1675 50.4128 50.6096 50.7203 50.8525 51.2256 51.5339 51.5412 51.7277 51.8425 51.9064 51.9934 52.3287 52.5040 52.6273 52.8892 53.1010 53.1720 53.4169 53.6256 53.8677 53.8707 54.2037 54.6395 54.8403 55.0850 55.2084 55.4348 55.6884 55.8168 55.9319 56.2508 56.4269 56.8194 56.8540 56.9650 57.4927 57.6096 57.8854 58.3707 58.4606 58.7390 58.8840 59.0967 59.1768 59.3798 59.4456 59.6996 59.8324 59.9929 60.0750 60.2383 60.2613 60.5017 60.8152 61.0028 61.2953 61.4567 61.6626 61.8144 62.1571 62.4019 62.6476 62.7311 62.8101 62.8238 63.1512 63.3854 63.5493 63.8348 64.1292 64.2904 64.8080 65.0273 65.1757 65.3934 65.6769 65.8839 65.9414 66.1951 66.3182 66.4698 66.7607 66.8105 66.9869 67.2240 67.5543 67.9512 68.0665 68.4029 68.7273 68.7707 69.2204 69.3672 69.7208 69.9230 70.2962 70.6991 70.8555 71.2219 71.4226 71.5893 71.7337 71.9357 72.1518 72.2529 72.6045 73.1817 73.2241 73.4073 73.6472 74.0645 74.2434 74.5632 74.6354 74.7592 75.1158 75.1421 75.2311 75.5445 75.6843 75.7257 75.8162 76.1826 76.3507 76.5795 76.7759 76.9654 77.0802 77.3108 77.3984 77.6689 77.8308 77.9466 78.0676 78.0948 78.4770 78.7991 79.2901 79.4274 79.6397 79.7230 79.9401 80.0369 80.1247 80.3167 80.7530 80.7692 80.9879 81.1963 81.3951 81.4714 81.6247 81.6696 81.9496 82.0604 82.1845 82.3938 82.4683 82.5994 82.8915 82.9944 83.1306 83.2273 83.3691 83.6133 83.7314 83.8956 84.0177 84.2062 84.4317 84.5268 84.6811 84.7808 84.8354 84.9762 85.0600 85.2644 85.3470 85.5479 85.5980 85.7788 85.9107 85.9937 86.0738 86.2942 86.4528 86.5877 86.7452 86.8722 86.9953 87.0374 87.2227 87.2856 87.3924 87.5541 87.6637 87.7057 87.9243 88.0193 88.1937 88.2780 88.4512 88.5009 88.5753 88.7921 88.9576 89.0043 89.1922 89.3059 89.3520 89.4639 89.5832 89.8052 89.8902 90.0297 90.0680 90.2408 90.3834 90.4624 90.6329 90.7627 90.7893 90.8517 91.0317 91.1149 91.3433 91.4873 91.6032 91.7581 91.9138 92.0045 92.2511 92.3286 92.4602 92.5421 92.5859 92.7710 92.8851 92.9621 93.0881 93.2930 93.3597 93.4680 93.5611 93.7266 94.0101 94.1921 94.3092 94.5184 94.5919 94.7543 94.9554 95.0266 95.2709 95.4084 95.4578 95.5670 95.8596 96.0426 96.2701 96.3253 96.5054 96.7649 96.8878 97.0128 97.1854 97.5384 97.6528 97.8318 97.9045 98.0507 98.1511 98.3003 98.5299 98.7701 98.9271 99.0756 99.3250 99.4071 99.6044 99.8651 99.9715 100.1509 100.2775 100.4292 100.5760 100.8009 100.8753 101.1423 101.2963 101.4068 101.5623 101.8756 101.9075 102.0200 102.1446 102.1964 102.3740 102.5847 102.6628 103.1151 103.2072 103.3149 103.4913 103.5810 103.8917 104.0231 104.1193 104.3018 104.3865 104.5623 104.8462 104.9976 105.0699 105.1484 105.3606 105.6160 105.7550 105.8220 106.0532 106.1913 106.2630 106.3022 106.4611 106.9884 107.1824 107.3110 107.4520 107.6526 107.9158 108.0253 108.1281 108.4391 108.5380 108.8794 108.9831 109.0723 109.2027 109.4329 109.6379 109.7240 109.8544 109.9733 110.1858 110.2797 110.3954 110.4647 110.6673 110.7535 110.9013 111.1073 111.2168 111.6231 111.6986 111.8647 111.9429 112.1817 112.2542 112.4308 112.5495 112.8800 112.9545 113.1717 113.2866 113.4520 113.5382 113.6988 113.7857 113.9748 114.0300 114.0638 114.4823 114.5995 114.8092 115.0579 115.0974 115.2417 115.4535 115.5242 115.7016 115.8233 116.1623 116.1981 116.3210 116.4765 116.6240 116.8365 117.1698 117.4069 117.5414 117.8022 117.9723 118.0804 118.2347 118.3463 118.3816 118.6056 118.7906 118.9098 119.0820 119.1984 119.2912 119.3769 119.5005 119.7048 119.8850 119.9204 120.0716 120.4087 120.4723 120.5880 120.7071 120.8477 121.2331 121.3220 121.3404 121.5305 121.5937 121.7869 122.0604 122.2355 122.2999 122.5182 122.8822 123.0885 123.1761 123.4417 123.6099 123.8631 123.9865 124.3750 124.8424 125.1631 125.2553 125.8600 125.9464 126.5300 127.0281 127.1247 127.1620 127.2386 127.7856 128.0994 128.3522 128.5373 128.7085 129.1033 129.3321 129.4161 129.6242 129.8679 129.9856 130.2833 130.6122 130.8579 130.9733 131.0414 131.2024 131.3199 131.4397 131.6841 131.9547 132.2222 132.3074 132.4735 132.6941 132.8720 133.1021 133.2945 133.3061 133.4640 133.8027 134.0303 134.5021 134.9593 135.0659 135.2171 135.7564 135.9215 136.2769 136.3066 136.4619 136.5938 136.8562 137.0827 137.2594 137.5341 137.9573 138.0014 138.2275 138.2962 138.6545 138.8542 139.0115 139.2006 139.4844 139.6057 139.9124 140.1405 140.4906 140.8550 140.9439 141.1562 141.2880 141.5286 141.8739 142.1299 142.5396 142.7220 142.7692 143.1173 143.7362 144.0587 144.2643 144.3383 144.8012 145.2223 145.6780 145.9451 146.2923 146.5915 146.6988 147.5852 147.7164 148.1068 148.5166 148.8612 149.1622 149.1792 149.4122 149.5160 149.8049 149.9155 150.1408 150.3654 150.5332 150.7626 150.9101 151.1951 151.3569 151.3845 151.5741 151.7685 151.9080 152.6595 152.8400 153.0208 153.1567 153.3705 153.8533 154.0658 154.1768 154.3743 154.5328 154.9786 155.1315 155.4447 155.7566 156.1590 156.3144 156.7005 156.9115 157.0128 157.3754 157.9930 158.2642 158.6477 158.8220 158.9310 159.1211 159.3311 159.6703 159.9006 160.2998 160.6810 160.7879 161.0430 161.5791 161.6997 162.5263 163.7931 163.9973 164.9012 166.3197 168.0985 168.7496 169.4971 170.5949 172.1508 173.8680 174.6920 176.7948 178.1675 179.4118 182.2610 184.1509 185.4639 185.8048 187.7258 187.9249 188.4406 189.0511 189.9912 191.7198 194.6328 195.4901 196.4857 198.5925 200.9239 202.2396 204.5298 221.3487 222.5481 223.1697 226.6520 229.0184 246.7921 257.1836 262.6006 294.6308 296.6036 311.9326 545.3349 619.9172 624.7111 626.3785 631.7050 632.0104 633.8071 634.3459 635.8349 636.7625 637.9473 638.7165 639.9686 640.5213 641.9411 643.1203 643.6399 644.0449 648.0358 659.8507 710.5055 881.2065 887.3398 1199.9327 1211.2410 -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 Cl S O O 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 H H H H H H H H H -0.037375 -0.031159 -0.293440 -0.324506 -0.101816 -0.154674 -0.154581 -0.050588 -0.060308 -0.141270 -0.133872 -0.120851 -0.155659 -0.227763 0.319438 0.158905 0.183815 0.104412 -0.161566 -0.185911 -0.159093 -0.136187 -0.144460 -0.089870 0.148014 0.064843 0.065628 0.070942 0.001891 0.013635 0.076466 0.065738 0.070187 0.072494 0.084597 0.067493 0.060283 0.114921 0.126145 0.055055 0.089121 0.071670 0.129845 0.133928 0.132497 0.129846 0.125597 0.127544 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 Cl S O O 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 H H H H H H H H H 17.0374 16.0312 8.2934 8.3245 7.1018 7.1547 6.1546 6.0506 6.0603 6.1413 6.1339 6.1209 6.1557 6.2278 5.6806 5.8411 5.8162 5.8956 6.1616 6.1859 6.1591 6.1362 6.1445 6.0899 5.8520 0.9352 0.9344 0.9291 0.9981 0.9864 0.9235 0.9343 0.9298 0.9275 0.9154 0.9325 0.9397 0.8851 0.8739 0.9449 0.9109 0.9283 0.8702 0.8661 0.8675 0.8702 0.8744 0.8725 17.0000 16.0000 8.0000 8.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0374 -0.0312 -0.2934 -0.3245 -0.1018 -0.1547 -0.1546 -0.0506 -0.0603 -0.1413 -0.1339 -0.1209 -0.1557 -0.2278 0.3194 0.1589 0.1838 0.1044 -0.1616 -0.1859 -0.1591 -0.1362 -0.1445 -0.0899 0.1480 0.0648 0.0656 0.0709 0.0019 0.0136 0.0765 0.0657 0.0702 0.0725 0.0846 0.0675 0.0603 0.1149 0.1261 0.0551 0.0891 0.0717 0.1298 0.1339 0.1325 0.1298 0.1256 0.1275 1.2626 2.4031 2.0973 2.1611 2.9571 2.9621 3.8801 3.8707 3.8845 3.9167 3.9068 3.9015 3.9028 3.9329 4.2936 3.8734 3.8766 3.5662 3.9651 3.9135 4.0802 3.9040 3.9212 3.9059 4.1863 1.0142 1.0067 1.0129 1.0360 1.0300 1.0136 1.0113 1.0095 1.0122 1.0142 1.0090 1.0021 1.0253 1.0081 1.0020 1.0113 1.0029 1.0236 1.0163 1.0172 1.0037 1.0047 0.9986 1.2626 2.4031 2.0973 2.1611 2.9571 2.9621 3.8801 3.8707 3.8845 3.9167 3.9068 3.9015 3.9028 3.9329 4.2936 3.8734 3.8766 3.5662 3.9651 3.9135 4.0802 3.9040 3.9212 3.9059 4.1863 1.0142 1.0067 1.0129 1.0360 1.0300 1.0136 1.0113 1.0095 1.0122 1.0142 1.0090 1.0021 1.0253 1.0081 1.0020 1.0113 1.0029 1.0236 1.0163 1.0172 1.0037 1.0047 0.9986 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1176 0.9506 1.2506 1.0326 0.8960 1.9464 1.1996 1.5802 1.5685 0.9314 0.9240 1.0028 1.0041 0.9353 1.0042 1.0123 0.9313 1.0133 0.9998 0.9387 1.0082 1.0134 0.9289 0.9990 1.0138 0.9411 1.0061 1.0045 0.9811 0.9891 0.9838 0.9973 0.9976 1.2626 1.5323 0.9381 1.3763 1.3100 1.4266 0.9802 1.4421 0.9786 1.3396 0.9467 1.3979 0.9995 1.4096 0.9937 0.9846 0 24 1 12 1 14 2 14 2 15 3 14 4 5 4 16 5 24 6 7 6 8 6 25 6 26 7 9 7 27 7 28 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 37 12 38 13 39 13 40 13 41 15 16 15 20 16 17 17 18 17 19 18 21 18 42 19 22 19 43 20 24 20 44 21 23 21 45 22 23 22 46 23 47 -0.029559573 -1856.337336696380 58.20335 -56.72061 1.48274 11.00312 -11.98929 -0.98616 -6.73129 7.74828 1.01699 2.05068 5.21242