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:-6.2873,-.7888,.3613;.8292,-3.0534,.142;-1.4636,-2.092,-.3204;-.4092,-1.0627,1.3815;-3.1356,1.0991,-.6799;-4.3623,.7894,-.3437;4.421,.7547,.8126;5.2711,1.6054,1.7457;3.7924,-.4581,1.4889;6.0041,2.7459,1.0413;2.7841,-1.1378,.571;5.1167,3.6857,.227;2.1548,-2.3765,1.1865;4.0114,4.3534,1.0345;-.4214,-1.8929,.53;-2.4366,-1.1341,-.3347;-2.1719,.1925,-.7112;-.8388,.6666,-1.1312;-.3451,1.8611,-.6116;-.0757,-.0397,-2.0581;-3.7153,-1.4782,.0058;.8982,2.3313,-.9999;1.1631,.4408,-2.4545;1.6559,1.6222,-1.9222;-4.6512,-.4502,-.0355;5.027,.4223,-.0378;3.619,1.3656,.3867;6.0107,.972,2.2456;4.6377,2.0035,2.5447;3.2865,-.1437,2.4073;4.5742,-1.1614,1.7942;6.7653,2.323,.3781;6.5498,3.3297,1.7888;2.004,-.4163,.3208;3.2607,-1.41,-.3747;5.749,4.4558,-.2222;4.6759,3.1435,-.6151;2.8788,-3.1869,1.2871;1.746,-2.1795,2.1776;4.4176,4.8982,1.8884;3.2934,3.6288,1.4218;3.456,5.0677,.4256;-.9396,2.4155,.1017;-.4523,-.9543,-2.4971;-3.9774,-2.4833,.3047;1.2771,3.2556,-.5832;1.7426,-.1122,-3.1816;2.6267,1.9925,-2.2257; 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 2490.9150126637 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 6.170e-06 Time for diagonalization 0.433 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.208 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:-6.2873,-.7888,.3613;.8292,-3.0534,.142;-1.4636,-2.092,-.3204;-.4092,-1.0627,1.3815;-3.1356,1.0991,-.6799;-4.3623,.7894,-.3437;4.421,.7547,.8126;5.2711,1.6054,1.7457;3.7924,-.4581,1.4889;6.0041,2.7459,1.0413;2.7841,-1.1378,.571;5.1167,3.6857,.227;2.1548,-2.3765,1.1865;4.0114,4.3534,1.0345;-.4214,-1.8929,.53;-2.4366,-1.1341,-.3347;-2.1719,.1925,-.7112;-.8388,.6666,-1.1312;-.3451,1.8611,-.6116;-.0757,-.0397,-2.0581;-3.7153,-1.4782,.0058;.8982,2.3313,-.9999;1.1631,.4408,-2.4545;1.6559,1.6222,-1.9222;-4.6512,-.4502,-.0355;5.027,.4223,-.0378;3.619,1.3656,.3867;6.0107,.972,2.2456;4.6377,2.0035,2.5447;3.2865,-.1437,2.4073;4.5742,-1.1614,1.7942;6.7653,2.323,.3781;6.5498,3.3297,1.7888;2.004,-.4163,.3208;3.2607,-1.41,-.3747;5.749,4.4558,-.2222;4.6759,3.1435,-.6151;2.8788,-3.1869,1.2871;1.746,-2.1795,2.1776;4.4176,4.8982,1.8884;3.2934,3.6288,1.4218;3.456,5.0677,.4256;-.9396,2.4155,.1017;-.4523,-.9543,-2.4971;-3.9774,-2.4833,.3047;1.2771,3.2556,-.5832;1.7426,-.1122,-3.1816;2.6267,1.9925,-2.2257; 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:-6.2873,-.7888,.3613;.8292,-3.0534,.142;-1.4636,-2.092,-.3204;-.4092,-1.0627,1.3815;-3.1356,1.0991,-.6799;-4.3623,.7894,-.3437;4.421,.7547,.8126;5.2711,1.6054,1.7457;3.7924,-.4581,1.4889;6.0041,2.7459,1.0413;2.7841,-1.1378,.571;5.1167,3.6857,.227;2.1548,-2.3765,1.1865;4.0114,4.3534,1.0345;-.4214,-1.8929,.53;-2.4366,-1.1341,-.3347;-2.1719,.1925,-.7112;-.8388,.6666,-1.1312;-.3451,1.8611,-.6116;-.0757,-.0397,-2.0581;-3.7153,-1.4782,.0058;.8982,2.3313,-.9999;1.1631,.4408,-2.4545;1.6559,1.6222,-1.9222;-4.6512,-.4502,-.0355;5.027,.4223,-.0378;3.619,1.3656,.3867;6.0107,.972,2.2456;4.6377,2.0035,2.5447;3.2865,-.1437,2.4073;4.5742,-1.1614,1.7942;6.7653,2.323,.3781;6.5498,3.3297,1.7888;2.004,-.4163,.3208;3.2607,-1.41,-.3747;5.749,4.4558,-.2222;4.6759,3.1435,-.6151;2.8788,-3.1869,1.2871;1.746,-2.1795,2.1776;4.4176,4.8982,1.8884;3.2934,3.6288,1.4218;3.456,5.0677,.4256;-.9396,2.4155,.1017;-.4523,-.9543,-2.4971;-3.9774,-2.4833,.3047;1.2771,3.2556,-.5832;1.7426,-.1122,-3.1816;2.6267,1.9925,-2.2257; -1856.30834364 2490.91501266 -4347.22335631 -7493.56251673 3146.33916042 -3706.95622363 1850.64787999 2.00305864 100.000339494920 100.000339494920 200.000678989840 -138.238804897160 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 -2765.5697 -2421.2650 -525.7497 -523.7903 -393.7978 -393.7141 -284.4528 -282.7471 -282.7192 -281.5777 -281.0558 -280.8861 -280.4297 -280.1389 -280.0566 -280.0299 -280.0268 -279.9964 -279.7818 -279.6470 -279.5107 -279.5080 -279.4625 -279.4562 -279.3080 -260.8469 -219.7987 -199.6861 -199.4473 -199.4315 -164.1188 -164.0060 -163.8906 -34.7412 -32.2170 -31.8194 -27.9355 -27.1643 -26.5071 -25.9846 -25.4877 -25.3540 -24.5823 -23.9287 -23.8103 -23.5361 -22.6264 -21.8444 -21.6340 -20.7301 -20.0683 -19.7775 -19.6381 -19.2274 -19.1349 -18.2515 -18.0884 -17.6590 -17.1818 -16.8871 -16.3993 -16.2567 -15.9680 -15.7948 -15.6145 -15.5067 -15.4009 -15.2207 -15.0240 -14.6901 -14.6218 -14.5105 -14.4364 -14.1405 -13.8744 -13.6343 -13.5053 -13.1359 -13.0815 -12.8099 -12.7330 -12.6336 -12.5219 -12.2084 -12.1693 -12.0151 -11.8425 -11.7036 -11.5941 -11.5009 -11.2265 -11.1680 -11.0772 -10.9704 -10.8185 -10.4183 -9.8706 -9.5948 -9.3701 -9.1819 0.1992 0.3474 1.3286 1.7840 1.9052 2.3491 2.7296 2.9593 3.1993 3.3983 3.4657 3.6182 3.9583 4.0305 4.1166 4.2240 4.3108 4.3984 4.6129 4.7981 4.8808 5.0601 5.1798 5.2451 5.2870 5.4357 5.5029 5.6815 5.8354 5.9304 5.9971 6.0576 6.1010 6.2949 6.3849 6.4502 6.6985 6.7219 6.8879 7.1354 7.1534 7.1713 7.3971 7.4797 7.7309 7.7805 7.9387 7.9860 8.0173 8.1810 8.3039 8.3973 8.4753 8.5680 8.6081 8.8059 8.9151 8.9725 9.0819 9.1713 9.2256 9.3939 9.4719 9.6211 9.7535 9.8341 9.9676 10.0852 10.1821 10.2969 10.3913 10.4845 10.5673 10.6729 10.7932 11.0359 11.0678 11.1874 11.2607 11.3161 11.4995 11.5467 11.7408 11.8521 12.0350 12.0722 12.2464 12.2913 12.5986 12.6310 12.6481 12.7648 12.7964 12.9009 12.9970 13.0821 13.2246 13.2865 13.3638 13.4747 13.5405 13.6760 13.6828 13.8469 13.8596 14.0063 14.0418 14.1306 14.1774 14.3022 14.4150 14.4645 14.5063 14.6144 14.6878 14.7651 14.8899 14.9789 15.0528 15.1008 15.1390 15.2146 15.2807 15.4551 15.4823 15.7002 15.7564 15.7939 15.8628 16.0016 16.1841 16.2830 16.5486 16.6336 16.7172 16.7481 16.8212 16.9120 17.0092 17.0859 17.3169 17.3529 17.4194 17.5526 17.8424 17.9883 18.0755 18.1983 18.2987 18.5151 18.8318 18.8659 18.9968 19.0105 19.1788 19.2272 19.4886 19.6142 19.7605 19.8126 19.9851 20.1763 20.3133 20.3987 20.5550 20.7199 20.8707 20.9910 21.1093 21.2119 21.4558 21.5075 21.6557 21.7667 21.9838 22.1210 22.2137 22.3283 22.4438 22.7511 22.8357 22.8706 23.0626 23.1190 23.2583 23.3101 23.5187 23.6343 23.9039 23.9311 24.0666 24.1083 24.3273 24.5676 24.6949 24.8115 24.9837 25.2529 25.3344 25.6219 25.7192 25.8544 26.0261 26.1889 26.3733 26.3783 26.5885 26.8087 27.0166 27.0886 27.2672 27.2897 27.5979 27.7011 27.7906 27.8978 28.1040 28.2739 28.3769 28.6484 28.7319 28.8707 29.0647 29.1423 29.3129 29.5722 29.6123 29.6548 30.0480 30.1567 30.2778 30.4319 30.4916 30.7927 30.8832 31.0249 31.0660 31.2713 31.4748 31.5433 31.6462 31.7762 31.9038 32.0265 32.2163 32.3409 32.4702 32.5307 32.6081 32.7064 32.8472 33.1552 33.2397 33.4834 33.5791 33.7149 33.7550 33.9961 34.0134 34.2159 34.3611 34.5618 34.6005 34.7390 34.9133 34.9389 35.1412 35.3416 35.4670 35.6628 35.8229 35.9454 36.0850 36.1554 36.3083 36.5736 36.7272 36.9017 37.0576 37.1507 37.2550 37.4130 37.5756 37.6826 37.8153 37.9854 38.1514 38.2742 38.3977 38.4670 38.5972 38.7380 38.8898 39.0473 39.1540 39.2599 39.3770 39.4589 39.6621 39.6878 40.0866 40.3168 40.4454 40.5864 40.8266 40.9642 40.9857 41.0964 41.3016 41.3974 41.5186 41.7159 41.9020 41.9197 41.9951 42.0655 42.3098 42.3633 42.5299 42.6107 42.7527 42.7906 42.8919 43.0935 43.1831 43.4018 43.5086 43.6722 43.7582 43.8936 43.9256 44.2120 44.3073 44.4025 44.5310 44.7378 44.9519 45.1020 45.2143 45.2726 45.4079 45.5073 45.6143 45.6752 45.9549 46.1954 46.3740 46.4758 46.5744 46.6658 46.7408 46.8377 47.2270 47.3256 47.4913 47.5733 47.7083 47.8420 47.9331 48.1503 48.2315 48.4803 48.6353 48.6587 49.0321 49.1576 49.2074 49.3693 49.5416 49.7163 49.8753 50.0525 50.1904 50.3323 50.3637 50.6009 50.7392 50.9401 51.2907 51.4581 51.6108 51.6813 51.8198 51.8515 51.9395 52.0627 52.5513 52.6773 52.9577 53.1039 53.1510 53.2997 53.6722 53.7851 54.1391 54.2073 54.4916 54.8423 55.1225 55.1735 55.5492 55.6132 55.8368 56.0692 56.3360 56.6100 56.7621 57.0054 57.2143 57.6170 57.9051 58.1825 58.4133 58.7199 58.8895 58.9901 59.3101 59.4113 59.5024 59.6156 59.7871 59.8845 60.0156 60.3011 60.4004 60.4226 60.7424 61.1143 61.1464 61.3449 61.5767 61.7132 61.8684 62.2500 62.2788 62.5012 62.7305 63.0304 63.2615 63.4832 63.5652 63.6057 64.0159 64.4651 64.5556 64.8918 65.0819 65.2844 65.5553 65.6418 65.9052 66.2098 66.2937 66.4997 66.6330 66.8685 67.2353 67.3315 67.6683 67.8890 68.2190 68.4388 68.7439 68.9522 69.3502 69.4549 69.7471 70.1272 70.4311 70.7373 71.0300 71.5626 71.6829 71.7536 71.9655 72.1888 72.4125 72.6712 72.7256 73.0729 73.4217 73.6435 73.7244 74.0589 74.2437 74.3760 74.6367 74.7336 74.8984 75.1191 75.4199 75.4670 75.6312 75.7039 76.0478 76.4112 76.5381 76.7914 76.8674 77.0160 77.0646 77.3858 77.5220 77.7361 77.9520 78.1296 78.2779 78.5170 78.7306 78.9198 79.2301 79.3402 79.4268 79.5743 79.8191 79.9231 80.0931 80.1924 80.3523 80.5490 80.6076 80.7898 80.9731 81.2934 81.3732 81.5921 81.6836 81.8073 81.9473 82.2143 82.2594 82.4042 82.5829 82.8940 82.9306 83.2474 83.3344 83.5337 83.6731 83.8888 83.9681 84.1123 84.3411 84.3770 84.4960 84.6896 84.8338 84.8746 84.9814 85.3292 85.4253 85.5422 85.7256 85.8406 86.0416 86.1061 86.1601 86.3081 86.4036 86.5053 86.5669 86.7229 86.9262 86.9950 87.0733 87.2924 87.4578 87.5395 87.7033 87.7413 87.8735 87.9631 88.2007 88.3832 88.4697 88.5848 88.7972 88.9108 88.9886 89.0482 89.1077 89.2770 89.3967 89.6210 89.6579 89.7929 89.9045 89.9673 90.0463 90.2360 90.2558 90.4582 90.6126 90.6511 90.8610 90.9704 91.1164 91.1321 91.2556 91.4943 91.5715 91.6460 91.8179 91.9749 92.0248 92.1833 92.2475 92.3202 92.4945 92.8030 92.8458 92.9816 93.0635 93.2137 93.3763 93.3981 93.4423 93.5775 93.9578 94.0698 94.3569 94.4469 94.5144 94.8498 94.9191 95.0042 95.2104 95.4330 95.4813 95.6228 95.8591 95.9891 96.1129 96.2443 96.4507 96.5487 96.7805 97.0367 97.2620 97.5210 97.5922 97.6392 97.7339 97.9268 98.1399 98.3982 98.5221 98.7056 98.9524 99.1333 99.1896 99.3187 99.5120 99.6507 99.7174 99.9186 100.1669 100.4848 100.5171 100.7422 100.8072 100.9351 101.0681 101.2106 101.5271 101.5724 101.6460 101.8167 101.9559 102.1151 102.3530 102.5001 102.8104 103.0101 103.1115 103.3262 103.5754 103.7267 103.8779 103.9150 104.0808 104.3672 104.4066 104.5128 104.9894 105.0188 105.0795 105.1832 105.4899 105.5771 105.7749 105.8071 105.8624 106.1200 106.3837 106.5221 106.8351 107.0706 107.3033 107.4631 107.7113 107.9664 108.1084 108.2198 108.4093 108.5209 108.6569 108.8358 108.9621 109.1335 109.1721 109.3755 109.7284 109.9425 109.9523 110.0344 110.1006 110.2054 110.4101 110.6269 110.6865 110.7545 110.8980 111.0790 111.1597 111.2806 111.4565 111.7115 112.0174 112.0494 112.2771 112.3224 112.5421 112.7400 112.8240 112.9958 113.0346 113.1122 113.4081 113.4585 113.6509 113.8994 114.0379 114.2663 114.4011 114.4612 114.6458 114.9030 115.0260 115.3251 115.3872 115.6623 115.7254 115.8951 115.9981 116.0939 116.3259 116.4056 116.6826 116.7737 117.0119 117.1529 117.4890 117.5907 117.6433 117.9349 118.1259 118.2490 118.5026 118.5754 118.8081 118.9156 119.0570 119.1279 119.3813 119.4954 119.5767 119.6458 119.7271 119.9928 120.0626 120.2330 120.3015 120.5844 120.8075 120.8773 121.0379 121.1483 121.2987 121.4443 121.6596 121.9818 122.2936 122.3984 122.4647 122.6035 122.6795 123.0626 123.4644 123.6651 124.0404 124.1607 124.2946 124.5125 124.7396 124.9358 125.1957 125.7974 126.0187 126.2102 126.5092 126.9609 127.0512 127.3264 127.4971 127.9098 128.2387 128.4943 128.5970 129.0340 129.1135 129.5078 129.7902 129.9353 130.0114 130.4175 130.4824 130.6255 130.9263 130.9744 131.1395 131.2164 131.3829 131.7422 131.8484 131.9885 132.0880 132.4141 132.5018 132.6291 133.0703 133.1195 133.2021 133.6575 133.9808 134.3938 134.6445 134.9539 135.0952 135.4552 135.6733 135.8419 136.1457 136.2862 136.3697 136.6759 136.8043 136.9924 137.2278 137.4850 138.0090 138.0962 138.2994 138.6130 138.7026 138.9911 139.0834 139.2827 139.4938 139.7102 140.0487 140.1439 140.4277 140.7631 140.8955 140.9688 141.4834 142.0229 142.2231 142.3756 142.5473 142.7260 143.2616 143.4273 144.0784 144.3405 144.3629 144.5775 145.2581 145.5131 145.6638 145.8318 146.4846 147.0217 147.5546 147.9450 148.1696 148.2719 148.6333 148.7860 149.0529 149.2331 149.3164 149.4962 149.8922 150.1292 150.1984 150.4831 150.6821 150.9380 151.1296 151.1864 151.6563 151.7470 151.9945 152.1801 152.6623 152.7768 152.8828 153.0201 153.0823 153.2292 153.6987 154.0240 154.1663 154.3343 154.4738 154.5478 155.1315 155.2542 155.5585 155.6646 156.0857 156.2497 156.9299 157.3352 157.7888 158.1675 158.2825 158.5060 158.5775 158.9429 159.3187 159.5297 159.5641 159.7593 160.1239 160.5142 160.7776 161.3554 161.5220 161.9325 162.4875 163.2652 165.1939 165.8996 167.8457 168.6433 169.1772 170.5902 172.0247 173.6980 174.4887 177.2936 178.0810 179.5548 181.9670 184.3373 185.0711 185.8074 187.3836 187.8029 188.2403 189.2737 189.8948 191.4258 193.6740 195.5641 196.0673 198.3304 201.1502 202.3684 204.1892 221.3658 222.5671 223.1808 226.6509 229.0143 246.9051 258.3863 262.2162 294.6480 296.6149 311.9566 544.6526 619.9050 623.5888 626.2525 631.0506 632.0813 634.4139 634.4655 635.1326 636.5416 636.9511 637.8152 639.2083 640.2990 642.1383 642.4734 643.3961 643.8708 647.3164 659.5673 710.4183 881.0670 887.0892 1199.3249 1210.9645 -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 -0.038273 -0.031233 -0.288716 -0.305318 -0.099713 -0.150426 -0.052006 -0.136875 -0.141566 -0.149735 -0.072092 -0.094117 -0.136515 -0.278348 0.304241 0.141293 0.193742 0.054819 -0.101443 -0.158813 -0.171753 -0.121948 -0.135156 -0.141621 0.147524 0.068731 -0.003637 0.070959 0.069612 0.069579 0.061941 0.068392 0.074713 0.038782 0.073740 0.075859 0.044125 0.116224 0.114437 0.089594 0.071974 0.091664 0.117995 0.130535 0.133566 0.130636 0.123678 0.130948 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 17.0383 16.0312 8.2887 8.3053 7.0997 7.1504 6.0520 6.1369 6.1416 6.1497 6.0721 6.0941 6.1365 6.2783 5.6958 5.8587 5.8063 5.9452 6.1014 6.1588 6.1718 6.1219 6.1352 6.1416 5.8525 0.9313 1.0036 0.9290 0.9304 0.9304 0.9381 0.9316 0.9253 0.9612 0.9263 0.9241 0.9559 0.8838 0.8856 0.9104 0.9280 0.9083 0.8820 0.8695 0.8664 0.8694 0.8763 0.8691 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 -0.0383 -0.0312 -0.2887 -0.3053 -0.0997 -0.1504 -0.0520 -0.1369 -0.1416 -0.1497 -0.0721 -0.0941 -0.1365 -0.2783 0.3042 0.1413 0.1937 0.0548 -0.1014 -0.1588 -0.1718 -0.1219 -0.1352 -0.1416 0.1475 0.0687 -0.0036 0.0710 0.0696 0.0696 0.0619 0.0684 0.0747 0.0388 0.0737 0.0759 0.0441 0.1162 0.1144 0.0896 0.0720 0.0917 0.1180 0.1305 0.1336 0.1306 0.1237 0.1309 1.2615 2.4034 2.1081 2.1873 2.9654 2.9551 3.8430 3.9088 3.9417 3.9066 3.8583 3.8558 3.9397 3.9336 4.3166 3.8946 3.8685 3.5843 4.0332 3.9058 4.0745 3.8987 3.9318 3.8935 4.1887 1.0104 1.0357 1.0134 1.0019 1.0104 1.0137 1.0108 1.0099 1.0241 1.0151 1.0105 1.0103 1.0104 1.0255 1.0070 0.9969 1.0038 1.0259 1.0161 1.0175 1.0006 1.0050 0.9994 1.2615 2.4034 2.1081 2.1873 2.9654 2.9551 3.8430 3.9088 3.9417 3.9066 3.8583 3.8558 3.9397 3.9336 4.3166 3.8946 3.8685 3.5843 4.0332 3.9058 4.0745 3.8987 3.9318 3.8935 4.1887 1.0104 1.0357 1.0134 1.0019 1.0104 1.0137 1.0108 1.0099 1.0241 1.0151 1.0105 1.0103 1.0104 1.0255 1.0070 0.9969 1.0038 1.0259 1.0161 1.0175 1.0006 1.0050 0.9994 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1169 0.9666 1.2363 1.0319 0.9203 1.9834 1.1857 1.6037 1.5752 0.9356 0.9384 0.9953 1.0004 0.9328 1.0042 1.0123 0.9297 1.0100 1.0114 0.9374 1.0079 1.0129 0.9345 1.0071 0.9908 0.9245 1.0082 1.0049 0.9851 1.0064 0.9929 0.9939 0.9986 1.2462 1.5353 0.9244 1.4033 1.3002 1.4747 0.9695 1.4509 0.9854 1.3393 0.9471 1.3713 0.9821 1.4074 0.9943 0.9864 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 -0.027277028 -1856.335620670716 75.40617 -73.60056 1.80561 25.94825 -26.96418 -1.01593 8.09858 -8.08423 0.01435 2.07185 5.26622