Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 Cl Cl O O O N N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 1 1 2 2 2 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,23.2/rA:45nClClOOONN2NCCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;s8;/rC:-2.3839,.1325,-2.9775;7.0175,1.0073,1.8446;-3.5856,-1.7006,-.9425;-2.962,-1.4916,1.2154;2.4095,.1803,-1.6749;-3.1606,1.3165,1.1069;-3.5492,1.2602,2.3934;-1.8944,2.6529,2.1414;-2.9379,-.8577,-.0326;-4.1679,-2.7973,-.2278;-3.742,.4508,.1017;-3.2893,-2.8574,1.004;-1.5075,-.5923,-.485;-4.1554,-4.0393,-1.0809;-1.176,-.1432,-1.7645;-.4554,-.753,.4108;.1293,.1249,-2.1325;.8637,-.5051,.0676;1.1536,-.0617,-1.2135;-2.1548,2.1476,.9446;-2.7694,2.0885,3.0094;3.4534,.3678,-.8004;4.5824,-.4158,-.9724;3.4135,1.3539,.1751;5.6896,-.2137,-.1625;4.5138,1.5479,.994;5.643,.7618,.8199;-5.1968,-2.5442,.0527;-4.7649,.2337,.4037;-3.7705,.9991,-.8365;-3.8045,-3.2352,1.8855;-2.3893,-3.4582,.8311;-4.7563,-3.9094,-1.9806;-4.5829,-4.8699,-.5189;-3.141,-4.3123,-1.373;-.6621,-1.0922,1.4157;.3585,.4715,-3.1317;1.6399,-.6658,.8028;-1.6555,2.3907,.0201;-2.8003,2.3138,4.0617;4.6055,-1.1774,-1.741;2.5362,1.9754,.3018;6.5737,-.8212,-.2984;4.4866,2.3138,1.757;-1.1811,3.3425,2.3527; 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 1525 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 1 Mult 1 NEL 210 Dim 1111 ENuc 2764.9768418275 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 5.811e-06 Time for diagonalization 0.914 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.757 sec Total time needed 1.909 sec 17 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,23.2/rA:45nClClOOONN2NCCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;s8;/rC:-2.3839,.1325,-2.9775;7.0175,1.0073,1.8446;-3.5856,-1.7006,-.9425;-2.962,-1.4916,1.2154;2.4095,.1803,-1.6749;-3.1606,1.3165,1.1069;-3.5492,1.2602,2.3934;-1.8944,2.6529,2.1414;-2.9379,-.8577,-.0326;-4.1679,-2.7973,-.2278;-3.742,.4508,.1017;-3.2893,-2.8574,1.004;-1.5075,-.5923,-.485;-4.1554,-4.0393,-1.0809;-1.176,-.1432,-1.7645;-.4554,-.753,.4108;.1293,.1249,-2.1325;.8637,-.5051,.0676;1.1536,-.0617,-1.2135;-2.1548,2.1476,.9446;-2.7694,2.0885,3.0094;3.4534,.3678,-.8004;4.5824,-.4158,-.9724;3.4135,1.3539,.1751;5.6896,-.2137,-.1625;4.5138,1.5479,.994;5.643,.7618,.8199;-5.1968,-2.5442,.0527;-4.7649,.2337,.4037;-3.7705,.9991,-.8365;-3.8045,-3.2352,1.8855;-2.3893,-3.4582,.8311;-4.7563,-3.9094,-1.9806;-4.5829,-4.8699,-.5189;-3.141,-4.3123,-1.373;-.6621,-1.0922,1.4157;.3585,.4715,-3.1317;1.6399,-.6658,.8028;-1.6555,2.3907,.0201;-2.8003,2.3138,4.0617;4.6055,-1.1774,-1.741;2.5362,1.9754,.3018;6.5737,-.8212,-.2984;4.4866,2.3138,1.757;-1.1811,3.3425,2.3527; 1 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 5 cpcm smd true smdsolvent "WATER" 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,23.2/rA:45nClClOOONN2NCCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;s8;/rC:-2.3839,.1325,-2.9775;7.0175,1.0073,1.8446;-3.5856,-1.7006,-.9425;-2.962,-1.4916,1.2154;2.4095,.1803,-1.6749;-3.1606,1.3165,1.1069;-3.5492,1.2602,2.3934;-1.8944,2.6529,2.1414;-2.9379,-.8577,-.0326;-4.1679,-2.7973,-.2278;-3.742,.4508,.1017;-3.2893,-2.8574,1.004;-1.5075,-.5923,-.485;-4.1554,-4.0393,-1.0809;-1.176,-.1432,-1.7645;-.4554,-.753,.4108;.1293,.1249,-2.1325;.8637,-.5051,.0676;1.1536,-.0617,-1.2135;-2.1548,2.1476,.9446;-2.7694,2.0885,3.0094;3.4534,.3678,-.8004;4.5824,-.4158,-.9724;3.4135,1.3539,.1751;5.6896,-.2137,-.1625;4.5138,1.5479,.994;5.643,.7618,.8199;-5.1968,-2.5442,.0527;-4.7649,.2337,.4037;-3.7705,.9991,-.8365;-3.8045,-3.2352,1.8855;-2.3893,-3.4582,.8311;-4.7563,-3.9094,-1.9806;-4.5829,-4.8699,-.5189;-3.141,-4.3123,-1.373;-.6621,-1.0922,1.4157;.3585,.4715,-3.1317;1.6399,-.6658,.8028;-1.6555,2.3907,.0201;-2.8003,2.3138,4.0617;4.6055,-1.1774,-1.741;2.5362,1.9754,.3018;6.5737,-.8212,-.2984;4.4866,2.3138,1.757;-1.1811,3.3425,2.3527; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2523 GEPOL Volume 2756.7412 GEPOL Surface-area 1483.8425 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 0.9s -2045.14330700 2764.97684183 -4810.12014882 -8276.25993533 3466.13978650 -0.12378984 -4084.15300280 2039.00969580 2.00300813 105.000074807235 105.000074807235 210.000149614471 -150.066534598268 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4218 -2765.3146 -524.8725 -524.0779 -524.0005 -396.2164 -395.4088 -394.3255 -283.3393 -283.1378 -282.4571 -281.9635 -281.8529 -281.7178 -281.5202 -281.3017 -281.2045 -280.9651 -280.3745 -280.1853 -280.1793 -280.1650 -280.1038 -280.0861 -280.0453 -279.9685 -279.2846 -260.6992 -260.5878 -199.5350 -199.4206 -199.3008 -199.2870 -199.1883 -199.1813 -34.6011 -33.6683 -33.2014 -30.8679 -30.1115 -28.0418 -27.7745 -27.7060 -26.4505 -26.1114 -25.6175 -24.3247 -24.0926 -24.0603 -23.4613 -23.1051 -22.1616 -21.9518 -21.2189 -20.8015 -20.3002 -20.2469 -19.9379 -19.6122 -19.4089 -18.8627 -18.0055 -17.7731 -17.7185 -17.3024 -16.8887 -16.6650 -16.4248 -16.2779 -16.2185 -16.1242 -15.7145 -15.3403 -15.1962 -15.0469 -14.7039 -14.6551 -14.5500 -14.4864 -14.3342 -14.1980 -14.0009 -13.7746 -13.6467 -13.2714 -13.1313 -12.9553 -12.8576 -12.6948 -12.4821 -12.4767 -12.3970 -12.3414 -11.9211 -11.7171 -11.4982 -11.3061 -11.2729 -11.1816 -10.4647 -10.0152 -9.7976 -9.4742 -9.2831 -8.6006 0.9738 1.1319 1.2142 1.5049 1.6904 1.9569 2.9141 2.9874 3.2469 3.5126 3.9196 3.9858 4.0710 4.2449 4.4922 4.5838 4.6212 4.7046 4.8599 4.9829 5.1127 5.1808 5.2384 5.3009 5.3924 5.4773 5.6052 5.6659 5.7571 5.9115 6.0775 6.2761 6.3197 6.3849 6.4109 6.6475 6.6812 6.8626 7.0486 7.1504 7.2916 7.4511 7.5050 7.6070 7.7612 7.7912 7.9883 8.0077 8.1405 8.2885 8.3131 8.4345 8.6213 8.6297 8.8760 8.9468 8.9764 9.0147 9.1779 9.2766 9.3292 9.4362 9.6966 9.7852 9.8474 10.0864 10.1664 10.1812 10.3394 10.4364 10.5155 10.5776 10.7336 10.8891 11.0415 11.1414 11.2429 11.3585 11.4083 11.5451 11.5762 11.6949 11.7592 11.8584 11.9485 11.9709 12.1383 12.1789 12.2289 12.3051 12.4614 12.5536 12.6542 12.7980 12.8605 12.9163 13.0182 13.0815 13.1261 13.2161 13.3250 13.4798 13.5523 13.6437 13.7576 13.8589 13.9208 14.0148 14.1362 14.2259 14.2761 14.3054 14.3190 14.4974 14.5191 14.8099 14.8557 14.9263 15.0034 15.0665 15.1924 15.2465 15.3449 15.4323 15.4846 15.5696 15.6433 15.8507 16.1223 16.3193 16.3700 16.5187 16.7241 16.7787 16.9681 16.9971 17.1416 17.2469 17.3855 17.4754 17.4976 17.7131 17.7719 17.8997 18.0387 18.1540 18.3321 18.4932 18.5669 18.7035 18.9039 19.2643 19.4055 19.5066 19.6522 19.7597 19.8823 19.9599 20.1240 20.2204 20.3057 20.4030 20.5714 20.7128 20.9235 20.9454 20.9640 21.2499 21.3415 21.4369 21.6663 21.7473 21.9627 22.3312 22.3992 22.4550 22.5560 22.6890 22.8067 22.8555 23.0922 23.1035 23.2147 23.2514 23.3646 23.4543 23.6209 23.8301 23.9702 24.0882 24.3690 24.5273 24.7185 24.8534 25.0180 25.2457 25.3207 25.3827 25.4377 25.4715 25.7585 26.0859 26.1378 26.2169 26.3273 26.4934 26.6716 26.8684 27.0280 27.2739 27.4534 27.6276 27.7662 27.8269 27.9650 28.1118 28.1978 28.2829 28.6263 28.7519 28.7994 28.8920 29.2260 29.3341 29.4765 29.5384 29.5798 29.7484 29.9367 29.9872 30.1652 30.2990 30.4905 30.5469 30.6375 30.8678 31.1353 31.1612 31.2963 31.6231 31.7751 32.1089 32.2788 32.3719 32.4102 32.5572 32.7743 32.8683 32.9040 33.1690 33.3194 33.4851 33.5568 33.8429 33.9776 34.1242 34.1873 34.4223 34.7856 34.8671 35.0043 35.1108 35.3419 35.4964 35.6217 35.7649 35.8025 35.9783 36.1563 36.1628 36.7095 36.8230 36.8325 36.9202 37.1350 37.1823 37.3160 37.4334 37.5524 37.5857 37.7080 37.9865 38.0387 38.1677 38.3429 38.4746 38.6253 38.9072 38.9460 39.0076 39.2836 39.4133 39.6137 39.7559 39.9345 39.9655 40.0436 40.2275 40.3582 40.5961 40.6956 40.8159 41.1002 41.1868 41.5468 41.6246 41.7391 41.8148 42.0779 42.1383 42.3585 42.4552 42.5738 42.8053 42.9967 43.0326 43.1777 43.3048 43.4022 43.4577 43.5646 43.7907 43.8725 44.0144 44.1959 44.2458 44.3462 44.5138 44.6092 44.7132 44.9648 45.0314 45.2279 45.2759 45.4349 45.6288 45.7843 45.8767 46.1405 46.2476 46.4480 46.6895 46.8000 46.8545 47.1058 47.3502 47.4668 47.5780 47.7494 47.9079 48.1572 48.2476 48.4056 48.6005 48.9649 49.0619 49.1079 49.3405 49.4305 49.6603 49.8840 50.0384 50.4622 50.6874 50.8154 50.9164 51.0687 51.1663 51.4527 51.6560 51.9246 52.0424 52.4314 52.4892 52.6234 52.6972 52.9263 53.0589 53.1231 53.1656 53.4608 53.9468 54.0337 54.2157 54.2804 54.5172 54.7416 54.8196 54.9563 55.3490 55.4139 55.7114 55.8527 56.0095 56.2707 56.5570 56.7150 56.9744 57.0853 57.0941 57.4331 57.6450 57.8994 58.0659 58.3249 58.8399 58.9553 59.1789 59.2950 59.4154 59.5079 59.6614 59.7140 59.8414 60.0391 60.1746 60.4261 60.7408 60.9078 61.2081 61.5449 61.6538 61.7744 61.8936 62.2108 62.2993 62.5615 62.7342 62.8870 63.0889 63.2343 63.4635 63.7142 63.8043 64.2173 64.3519 64.4686 64.5949 64.6747 64.7798 65.0980 65.1763 65.3928 65.6616 65.7495 66.0311 66.0790 66.4633 66.5169 66.6946 66.7570 67.0052 67.0946 67.4556 67.4922 67.7564 67.9071 68.1518 68.2154 68.5753 68.8678 69.3383 69.4737 69.5640 69.7198 70.1258 70.7083 70.8782 71.1797 72.0292 72.1912 72.4879 72.7417 72.7509 73.1114 73.6327 73.7306 73.8638 73.9926 74.4649 74.5858 74.7342 74.8167 75.0124 75.5605 75.8037 75.8602 76.0403 76.2513 76.4816 76.5065 76.7708 76.8906 77.0723 77.2083 77.2879 77.4808 77.7750 77.9281 78.0098 78.1972 78.3875 78.6976 78.8635 78.9289 79.0622 79.2003 79.2305 79.3207 79.5226 79.6040 79.9046 80.2485 80.3896 80.4917 80.6729 80.8040 80.8314 81.0770 81.2383 81.3488 81.4207 81.5091 81.8615 81.9116 82.1489 82.2700 82.4228 82.5076 82.6894 82.7244 82.8794 82.9468 83.0504 83.1970 83.3999 83.5763 83.7195 83.9358 84.0351 84.1726 84.2090 84.2922 84.5114 84.7058 84.8610 84.8882 85.1215 85.1451 85.2960 85.3551 85.5036 85.7583 85.9755 86.0007 86.1469 86.3446 86.4845 86.6175 86.6958 86.9662 87.1308 87.2639 87.3814 87.4955 87.5721 87.7197 87.9955 88.0571 88.3436 88.4583 88.5775 88.8013 88.8936 89.0555 89.1418 89.2743 89.4794 89.5225 89.7458 89.8628 90.0266 90.0790 90.1760 90.3937 90.5095 90.6512 90.7678 90.9539 91.1526 91.2805 91.4177 91.5991 91.8090 91.8496 92.0005 92.1683 92.2546 92.4760 92.5412 92.7123 92.7418 93.0700 93.1890 93.3164 93.3743 93.6087 93.7359 93.8845 94.0222 94.1681 94.2694 94.4035 94.5393 94.6121 95.0260 95.3024 95.3341 95.4961 95.6295 96.0459 96.1167 96.2286 96.3426 96.5181 96.6151 96.9912 97.0230 97.1676 97.3792 97.4819 97.6141 97.6609 97.7834 97.9194 98.0129 98.2461 98.4594 98.5125 98.7736 98.8703 98.9995 99.1577 99.3504 99.5396 99.6580 99.7791 100.0369 100.1653 100.2198 100.5844 100.6807 100.8238 101.0982 101.2746 101.3480 101.4065 101.6794 101.7943 101.8361 102.5028 102.5719 102.7129 103.0514 103.1220 103.2015 103.3069 103.7021 103.7949 104.0416 104.0458 104.3139 104.3980 104.6504 104.7894 104.9885 105.2193 105.3055 105.4528 105.5310 105.6568 105.7964 105.9590 106.0161 106.2574 106.3568 106.5090 106.5812 106.6467 106.6835 107.0004 107.0701 107.3125 107.5088 107.6726 107.9929 108.1242 108.2866 108.3965 108.6921 108.8096 108.9005 109.0054 109.1716 109.2987 109.4950 109.7000 110.0061 110.2273 110.3015 110.5943 110.6532 110.7587 110.8743 111.4754 111.7431 111.7863 112.0306 112.1637 112.3333 112.4587 112.4954 112.6741 112.8065 113.0965 113.1640 113.2413 113.4581 113.5950 114.1520 114.2417 114.2912 114.5131 114.5511 115.0682 115.1487 115.3855 115.4972 115.6552 115.9334 116.0360 116.1805 116.4486 116.4976 116.6038 116.7229 117.0452 117.1255 117.3009 117.4805 117.6836 117.7496 117.9087 118.2354 118.3317 118.5892 118.8412 119.0447 119.1251 119.3420 119.4928 119.5292 119.6133 119.9899 120.1001 120.4072 120.5177 120.6783 120.8834 120.9199 121.1355 121.2141 121.4039 121.6130 121.7648 122.1188 122.2352 122.6069 123.0232 123.3447 123.5268 123.9252 124.6781 124.8726 125.1463 125.4030 125.4707 125.6871 126.3207 126.3720 126.6307 126.7016 126.8170 127.0281 127.3593 127.8683 128.0039 128.2729 128.2974 128.5752 129.0755 129.2389 129.6850 129.8506 130.0231 130.2226 130.5747 130.8329 130.8524 131.1168 131.3534 131.5321 131.5984 131.7512 131.9815 132.0579 132.1998 132.5227 132.8785 132.9737 133.2925 133.4093 133.8750 134.0220 134.1344 134.3058 134.5723 134.7405 135.0753 135.3602 135.6748 135.7033 136.0694 136.2026 136.4743 136.8473 136.9726 137.1261 137.7812 137.9225 138.1593 138.2024 138.2723 138.5195 138.7211 139.0032 139.3754 139.5668 139.8833 140.1728 140.4519 140.7353 141.7622 142.0226 142.2704 142.3299 142.7221 142.8471 143.0856 143.2839 143.6061 144.2444 144.3161 144.7407 145.1643 145.3202 145.8117 146.0490 146.4383 146.6890 147.2451 147.3348 147.5317 147.6540 147.7703 147.9097 148.0495 148.2227 148.4517 148.6457 148.8726 149.2225 149.6172 149.8192 150.0269 150.2866 150.5433 151.0292 151.6802 151.8716 152.2125 152.4676 153.0249 153.1962 153.4145 153.5421 153.5802 154.0652 154.3946 154.6723 154.9675 155.2992 155.5577 156.1034 156.2019 156.4434 156.6536 156.9543 157.1050 157.2179 157.4362 157.7763 157.9437 158.2738 158.8539 159.4348 159.5565 159.9673 160.6077 160.7547 162.4870 162.9834 163.7039 163.9624 165.1353 165.9062 166.1091 166.9307 168.5333 168.8699 169.0755 169.1596 170.2933 171.5364 172.0546 172.3046 172.5519 173.5095 174.0101 174.7430 176.2835 178.1653 180.2994 182.8389 186.0740 187.0149 187.4858 188.5951 189.1175 189.9811 190.3821 190.9040 193.6195 194.7751 195.0782 195.3504 198.1489 201.4353 201.5726 202.7428 205.0138 206.7028 208.1262 221.5885 222.8560 223.1029 223.4513 224.6561 224.8204 227.2310 228.3281 229.5772 230.2781 294.8944 295.6448 297.3947 299.5659 312.4866 313.3073 614.2010 615.5407 625.8752 627.6529 628.8280 631.7974 632.0158 633.5176 634.3328 635.6261 636.4770 636.5778 639.7308 641.3345 642.8724 647.5425 647.7640 653.6360 654.3443 712.1544 716.3034 878.6360 896.5416 900.8242 1214.6338 1215.3191 1216.7392 1.0000000 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 Cl Cl O O O N N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.076703 -0.097953 -0.393525 -0.411072 -0.325475 0.136469 -0.294757 -0.087099 0.648406 0.151512 -0.138656 0.011229 -0.226032 -0.272936 0.027323 -0.070175 -0.235719 -0.226753 0.319782 0.177046 0.154288 0.294946 -0.242459 -0.211379 -0.110884 -0.124388 0.067795 0.074930 0.137623 0.152516 0.112735 0.085694 0.098092 0.095901 0.082130 0.148982 0.128344 0.156541 0.221934 0.200690 0.151304 0.164105 0.148167 0.148071 0.249409 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 Cl Cl O O O N N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 17.0767 17.0980 8.3935 8.4111 8.3255 6.8635 7.2948 7.0871 5.3516 5.8485 6.1387 5.9888 6.2260 6.2729 5.9727 6.0702 6.2357 6.2268 5.6802 5.8230 5.8457 5.7051 6.2425 6.2114 6.1109 6.1244 5.9322 0.9251 0.8624 0.8475 0.8873 0.9143 0.9019 0.9041 0.9179 0.8510 0.8717 0.8435 0.7781 0.7993 0.8487 0.8359 0.8518 0.8519 0.7506 17.0000 17.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0767 -0.0980 -0.3935 -0.4111 -0.3255 0.1365 -0.2948 -0.0871 0.6484 0.1515 -0.1387 0.0112 -0.2260 -0.2729 0.0273 -0.0702 -0.2357 -0.2268 0.3198 0.1770 0.1543 0.2949 -0.2425 -0.2114 -0.1109 -0.1244 0.0678 0.0749 0.1376 0.1525 0.1127 0.0857 0.0981 0.0959 0.0821 0.1490 0.1283 0.1565 0.2219 0.2007 0.1513 0.1641 0.1482 0.1481 0.2494 1.2454 1.2047 2.0016 1.9726 2.0872 3.4411 2.9129 3.5619 3.7627 3.9214 3.8744 3.9465 3.6761 3.9543 3.9933 3.8073 4.1363 3.9868 3.7732 3.9193 3.9466 3.6693 4.0508 3.9819 3.9450 3.9532 3.8422 1.0020 1.0159 1.0158 0.9978 0.9999 1.0027 1.0050 1.0095 1.0244 1.0278 0.9992 0.9644 0.9775 1.0041 0.9935 1.0015 1.0026 0.9635 1.2454 1.2047 2.0016 1.9726 2.0872 3.4411 2.9129 3.5619 3.7627 3.9214 3.8744 3.9465 3.6761 3.9543 3.9933 3.8073 4.1363 3.9868 3.7732 3.9193 3.9466 3.6693 4.0508 3.9819 3.9450 3.9532 3.8422 1.0020 1.0159 1.0158 0.9978 0.9999 1.0027 1.0050 1.0095 1.0244 1.0278 0.9992 0.9644 0.9775 1.0041 0.9935 1.0015 1.0026 0.9635 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.0662 1.0037 0.9486 0.9479 0.8767 0.9560 0.9945 0.8917 1.0513 0.8347 1.4493 1.6844 1.3355 1.2223 0.9200 0.8911 0.9144 0.9661 0.9518 0.9934 0.9811 0.9985 0.9703 1.0005 1.3336 1.2630 0.9909 0.9823 0.9884 1.4961 1.4631 0.9727 1.3904 0.9677 1.3567 0.9638 0.9410 0.9435 1.3946 1.3549 1.4282 0.9840 1.4355 0.9718 1.3719 0.9786 1.3709 0.9771 0 14 1 26 2 8 2 9 3 8 3 11 4 18 4 21 5 6 5 10 5 19 6 20 7 19 7 20 7 44 8 10 8 12 9 11 9 13 9 27 10 28 10 29 11 30 11 31 12 14 12 15 13 32 13 33 13 34 14 16 15 17 15 35 16 18 16 36 17 18 17 37 19 38 20 39 21 22 21 23 22 24 22 40 23 25 23 41 24 26 24 42 25 26 25 43 -0.025056788 -2045.168363782997 -23.54733 19.64524 -3.90209 -12.86614 16.05912 3.19298 5.13705 -2.02699 3.11006 5.92402 15.05765