Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 1 1 1 1 2 2 2 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 477.0047095999997 AuxInfo=1/0/N:12,24,22,28,14,13,27,20,21,25,23,19,16,17,29,18,15,26,1,2,3,4,5,6,7,11,10,9,8/E:(8,9)(13,14)(19,20)(21,22)(23,24,25)/CRV:2.3,3.3,4.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,26.2/rA:43nClClClClFFFOOON2CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3HHHHHHHHHHHHHH/rB:;;;;;;;;;;;s8s12;s9s12;s8;s1s15;s2s15;s9s11;s10;s16s19;s17s19;s18;;s22s23;s11s23;s5s6s7s23;s10;s27;s3s4s28;s12;s12;s13;s13;s14;s14;s20;s21;s22;s24;s25;s27;s27;s28;/rC:-.4895,2.8472,-2.093;-1.6959,2.0204,3.0905;5.511,1.4231,-1.5124;3.6224,-.0917,-3.0738;.7037,-4.0427,.0964;.3767,-3.9097,2.225;-.8879,-5.1554,1.0188;-1.9142,3.3681,.383;-3.6137,.3314,.2214;1.6607,-.8102,.7521;-2.1156,-1.1859,-.6094;-3.9649,2.4908,-.7319;-3.3208,3.1565,.4752;-3.5536,1.0541,-1.005;-1.0635,2.3292,.4766;-.2771,1.9799,-.6185;-.8413,1.6058,1.6506;-2.8265,-.7247,.3946;.8243,.2379,.5951;.6629,.9608,-.5789;.0743,.575,1.7158;-2.7969,-1.2909,1.6773;-1.1687,-2.829,.8363;-1.9561,-2.3533,1.8889;-1.3018,-2.2109,-.3912;-.2437,-3.9811,1.0417;2.5572,-1.1454,-.2816;3.6708,-.1514,-.3864;4.1941,.3253,-1.5058;-5.0448,2.5388,-.5605;-3.7698,3.0728,-1.6355;-3.5803,2.6116,1.3834;-3.7335,4.1599,.5786;-2.5556,.9982,-1.4342;-4.2328,.5978,-1.731;1.228,.7502,-1.4752;.2122,.0272,2.6374;-3.4024,-.8771,2.471;-1.8975,-2.8005,2.8726;-.7316,-2.5432,-1.2507;2.0424,-1.2874,-1.2363;2.9648,-2.1159,.0065;4.1067,.1796,.5488; 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 1583 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 248 Dim 1139 ENuc 3756.8218182701 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.973e-06 Time for diagonalization 0.305 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.197 sec Total time needed 0.509 sec 17 17 17 17 9 9 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 477.0047095999997 AuxInfo=1/0/N:12,24,22,28,14,13,27,20,21,25,23,19,16,17,29,18,15,26,1,2,3,4,5,6,7,11,10,9,8/E:(8,9)(13,14)(19,20)(21,22)(23,24,25)/CRV:2.3,3.3,4.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,26.2/rA:43nClClClClFFFOOON2CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3HHHHHHHHHHHHHH/rB:;;;;;;;;;;;s8s12;s9s12;s8;s1s15;s2s15;s9s11;s10;s16s19;s17s19;s18;;s22s23;s11s23;s5s6s7s23;s10;s27;s3s4s28;s12;s12;s13;s13;s14;s14;s20;s21;s22;s24;s25;s27;s27;s28;/rC:-.4895,2.8472,-2.093;-1.6959,2.0204,3.0905;5.511,1.4231,-1.5124;3.6224,-.0917,-3.0738;.7037,-4.0427,.0964;.3767,-3.9096,2.225;-.8879,-5.1553,1.0188;-1.9142,3.3681,.383;-3.6137,.3314,.2214;1.6607,-.8102,.7521;-2.1156,-1.1859,-.6094;-3.9649,2.4908,-.7319;-3.3208,3.1565,.4752;-3.5536,1.0541,-1.005;-1.0635,2.3292,.4766;-.2771,1.9799,-.6185;-.8413,1.6058,1.6506;-2.8265,-.7247,.3946;.8243,.2379,.5951;.6629,.9608,-.5789;.0743,.575,1.7158;-2.7969,-1.2909,1.6773;-1.1687,-2.829,.8363;-1.9561,-2.3533,1.8889;-1.3018,-2.2109,-.3912;-.2437,-3.9811,1.0417;2.5572,-1.1454,-.2816;3.6708,-.1514,-.3864;4.1941,.3253,-1.5058;-5.0448,2.5388,-.5605;-3.7698,3.0728,-1.6355;-3.5803,2.6116,1.3834;-3.7335,4.1599,.5786;-2.5556,.9982,-1.4342;-4.2328,.5978,-1.731;1.228,.7502,-1.4752;.2122,.0272,2.6374;-3.4024,-.8771,2.471;-1.8975,-2.8005,2.8726;-.7316,-2.5432,-1.2507;2.0424,-1.2874,-1.2363;2.9648,-2.1159,.0065;4.1067,.1796,.5488; 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 4 477.0047095999997 AuxInfo=1/0/N:12,24,22,28,14,13,27,20,21,25,23,19,16,17,29,18,15,26,1,2,3,4,5,6,7,11,10,9,8/E:(8,9)(13,14)(19,20)(21,22)(23,24,25)/CRV:2.3,3.3,4.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,26.2/rA:43nClClClClFFFOOON2CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3HHHHHHHHHHHHHH/rB:;;;;;;;;;;;s8s12;s9s12;s8;s1s15;s2s15;s9s11;s10;s16s19;s17s19;s18;;s22s23;s11s23;s5s6s7s23;s10;s27;s3s4s28;s12;s12;s13;s13;s14;s14;s20;s21;s22;s24;s25;s27;s27;s28;/rC:-.4895,2.8472,-2.093;-1.6959,2.0204,3.0905;5.511,1.4231,-1.5124;3.6224,-.0917,-3.0738;.7037,-4.0427,.0964;.3767,-3.9097,2.225;-.8879,-5.1554,1.0188;-1.9142,3.3681,.383;-3.6137,.3314,.2214;1.6607,-.8102,.7521;-2.1156,-1.1859,-.6094;-3.9649,2.4908,-.7319;-3.3208,3.1565,.4752;-3.5536,1.0541,-1.005;-1.0635,2.3292,.4766;-.2771,1.9799,-.6185;-.8413,1.6058,1.6506;-2.8265,-.7247,.3946;.8243,.2379,.5951;.6629,.9608,-.5789;.0743,.575,1.7158;-2.7969,-1.2909,1.6773;-1.1687,-2.829,.8363;-1.9561,-2.3533,1.8889;-1.3018,-2.2109,-.3912;-.2437,-3.9811,1.0417;2.5572,-1.1454,-.2816;3.6708,-.1514,-.3864;4.1941,.3253,-1.5058;-5.0448,2.5388,-.5605;-3.7698,3.0728,-1.6355;-3.5803,2.6116,1.3834;-3.7335,4.1599,.5786;-2.5556,.9982,-1.4342;-4.2328,.5978,-1.731;1.228,.7502,-1.4752;.2122,.0272,2.6374;-3.4024,-.8771,2.471;-1.8975,-2.8005,2.8726;-.7316,-2.5432,-1.2507;2.0424,-1.2874,-1.2363;2.9648,-2.1159,.0065;4.1067,.1796,.5488; -3115.24968497 3756.82181827 -6872.07150324 -11770.46372947 4898.39222622 -6223.00525974 3107.75557476 2.00241142 124.000055518290 124.000055518290 248.000111036581 -200.405598262969 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2766.0131 -2765.8705 -2765.5174 -2765.3817 -675.4809 -675.3949 -675.3041 -524.7346 -524.6846 -524.1856 -392.7077 -286.6556 -283.3013 -282.7284 -281.9651 -281.9156 -281.8289 -281.8141 -281.7571 -281.3199 -281.2739 -281.2420 -280.8272 -280.6925 -280.5720 -280.3007 -280.2788 -280.2010 -279.9514 -261.2810 -261.1389 -260.7876 -260.6495 -200.1234 -199.9855 -199.8778 -199.8677 -199.7318 -199.7245 -199.6260 -199.4889 -199.3870 -199.3768 -199.2511 -199.2362 -39.2295 -36.7474 -36.6169 -33.2116 -33.0319 -32.4985 -29.4790 -28.7647 -28.0721 -27.3246 -26.3377 -26.0897 -25.9895 -25.4349 -25.0102 -24.6133 -23.7852 -23.4353 -22.8050 -22.3824 -21.8773 -21.0859 -20.6762 -19.9943 -19.8669 -19.3375 -19.1972 -19.0968 -18.8476 -18.6093 -18.2044 -17.9416 -17.5080 -17.3052 -17.0460 -16.8316 -16.6058 -16.1436 -15.8955 -15.7948 -15.6685 -15.5574 -15.4721 -15.3935 -15.1877 -15.0566 -14.8003 -14.7829 -14.6970 -14.6213 -14.5784 -14.3157 -14.2655 -14.1206 -14.0919 -13.7778 -13.5358 -13.5086 -13.1707 -13.1374 -12.9596 -12.9059 -12.4364 -12.2914 -12.2486 -12.1000 -11.9933 -11.8413 -11.4408 -11.4151 -11.2305 -10.9749 -10.8330 -10.5723 -10.2916 -9.7835 -9.2979 -9.1477 -8.5265 0.7623 0.9454 1.1985 1.3064 1.6610 2.2285 2.4292 2.9878 3.1642 3.3675 3.5564 3.7701 4.0721 4.1044 4.2676 4.3653 4.5696 4.7126 4.7971 4.8127 5.1681 5.2386 5.2724 5.3618 5.4240 5.5362 5.7103 5.8135 5.9504 6.0432 6.2807 6.3891 6.4804 6.6416 6.9203 7.0423 7.1339 7.5328 7.5643 7.6176 7.7566 7.7977 7.8910 7.9752 8.0958 8.1935 8.2938 8.4422 8.5101 8.5688 8.6669 8.7709 8.8274 8.9132 8.9703 9.0452 9.2822 9.2989 9.3437 9.3892 9.6502 9.7608 9.8600 10.0256 10.0621 10.0954 10.2270 10.4650 10.5821 10.6405 10.7282 10.8613 10.8894 10.9350 11.0029 11.1092 11.1839 11.3556 11.4874 11.5119 11.6382 11.7478 11.7929 11.9092 11.9515 12.0578 12.1463 12.2056 12.3356 12.3945 12.4487 12.5698 12.6834 12.8156 12.9593 12.9814 13.1305 13.2025 13.3394 13.3936 13.5253 13.5279 13.6954 13.7399 13.9614 13.9935 14.0467 14.0985 14.2666 14.3127 14.4910 14.5773 14.6392 14.7009 14.9230 14.9674 15.1035 15.1485 15.3312 15.3908 15.4405 15.5820 15.8787 15.8841 16.0277 16.0949 16.2862 16.4421 16.4922 16.6084 16.6799 16.9259 17.0356 17.1440 17.3657 17.4528 17.6109 17.6925 17.7627 18.1632 18.3189 18.3412 18.4415 18.5895 18.7864 18.8267 19.0173 19.1833 19.2053 19.3248 19.4146 19.5973 19.7206 19.9071 20.1330 20.1879 20.2614 20.3710 20.4035 20.5348 20.6309 20.7978 20.8516 21.0251 21.1496 21.3606 21.4136 21.4398 21.6395 21.8757 21.9717 22.1308 22.2319 22.2837 22.4822 22.6666 22.7581 22.7928 22.9513 23.0328 23.1099 23.3580 23.3761 23.6154 23.7543 23.9165 24.0215 24.1126 24.2363 24.3077 24.4337 24.6189 24.8041 24.8291 25.1318 25.1792 25.2561 25.5340 25.6730 25.7974 25.8767 26.1268 26.3494 26.4478 26.6184 26.7148 26.7667 27.1075 27.1644 27.3930 27.4326 27.5622 27.6605 27.9030 27.9669 28.1905 28.2865 28.4136 28.7122 28.9546 29.2446 29.4010 29.4978 29.5727 29.6905 29.7647 30.0087 30.1295 30.4036 30.5123 30.6876 30.8121 30.9119 31.1439 31.3801 31.4245 31.4402 31.5222 31.8711 31.8808 32.0262 32.0861 32.2691 32.3966 32.5226 32.5808 32.7326 33.1274 33.2058 33.2351 33.3056 33.4415 33.6164 33.9323 34.0362 34.1370 34.3515 34.4280 34.7259 34.8500 34.9205 35.2012 35.2814 35.4268 35.6940 35.8327 35.9998 36.1889 36.4130 36.5520 36.7804 36.9415 37.1640 37.3693 37.6988 37.8017 38.0699 38.1595 38.3655 38.4622 38.5805 38.6800 38.8648 39.0002 39.0606 39.1863 39.2331 39.3526 39.6315 39.7296 39.9018 40.0459 40.2486 40.3447 40.5894 40.6706 40.7912 40.8583 41.1957 41.2074 41.4362 41.6095 41.9501 42.0770 42.2600 42.3988 42.4787 42.8480 42.9308 42.9951 43.4183 43.5075 43.5843 43.7503 44.0231 44.2676 44.6413 44.8726 44.9938 45.1627 45.3961 45.4849 45.5825 45.6503 45.9380 46.0817 46.3101 46.5259 46.6657 46.8941 47.0724 47.1339 47.3000 47.3241 47.5393 47.7146 47.9796 48.1763 48.4299 48.6268 48.8463 48.9843 49.0743 49.2510 49.5342 49.6872 49.7546 49.9576 50.0162 50.2646 50.2832 50.4704 50.6929 50.7253 51.0189 51.3412 51.3707 51.4774 51.7376 51.7845 51.8825 51.9935 52.3586 52.5237 52.5629 52.7210 52.9109 52.9721 53.1680 53.2476 53.4362 53.5031 53.5791 53.9007 54.0536 54.1791 54.4392 54.4985 54.6945 54.9214 55.2696 55.3977 55.5101 55.6667 55.7889 55.9795 56.0868 56.1576 56.2121 56.4228 56.5978 56.7308 56.9307 57.2169 57.4757 57.5422 57.6269 57.7427 57.8809 58.1158 58.3574 58.3900 58.6446 58.7895 58.8715 58.9439 59.0133 59.1362 59.1942 59.3714 59.5503 59.6670 59.8284 60.0365 60.1557 60.2331 60.3160 60.5076 60.6188 60.7494 60.9321 61.1306 61.2255 61.4702 61.5615 61.6987 61.9048 61.9925 62.1134 62.2932 62.4808 62.4980 62.7557 63.0615 63.1331 63.3052 63.4717 63.6336 63.7969 63.9070 64.0609 64.2390 64.5613 64.6597 64.7025 64.9482 65.1822 65.2567 65.4502 65.5413 65.6177 65.7090 65.9246 66.2251 66.3276 66.4932 66.6646 66.8193 67.0043 67.1970 67.3206 67.3337 67.6064 67.7443 68.0595 68.3742 68.4243 68.4823 68.6309 68.8164 69.0625 69.2052 69.4469 69.7632 70.1583 70.2793 70.5987 71.0029 71.0826 71.4906 71.7164 72.0960 72.2963 72.4487 72.5683 72.6388 73.0333 73.1261 73.4687 74.0734 74.2827 74.4915 74.7263 74.9850 75.0699 75.2694 75.6141 75.6553 75.8911 75.9693 76.1658 76.4852 76.6919 76.7951 77.1077 77.2705 77.3639 77.7122 77.7921 78.1025 78.1455 78.3018 78.6086 78.9700 79.0123 79.2430 79.8617 79.9740 80.0240 80.3317 80.4529 80.6331 80.6729 80.8993 81.1582 81.2201 81.4757 81.6050 81.6642 81.8517 82.0360 82.0811 82.2300 82.3661 82.5249 82.7036 82.7757 82.8351 83.0617 83.1675 83.3155 83.4662 83.8268 83.8722 84.0223 84.2560 84.3945 84.4846 84.5765 84.8171 84.9424 85.1670 85.3157 85.3827 85.5273 85.8012 85.8422 86.0964 86.1743 86.3381 86.4793 86.5450 86.6124 86.9166 87.0166 87.1926 87.2338 87.3359 87.4260 87.6358 87.8011 87.8235 87.8843 88.0271 88.2630 88.3673 88.5501 88.6637 88.8098 88.9485 89.0679 89.3089 89.4570 89.5008 89.6714 89.7869 89.8151 89.9584 90.2685 90.4350 90.4972 90.6133 90.8221 90.9619 91.0907 91.1815 91.4580 91.5715 91.5812 91.6755 91.8470 92.1023 92.3372 92.4128 92.4359 92.7671 92.9412 92.9967 93.1764 93.2264 93.3464 93.5220 93.6716 93.9369 94.1275 94.2611 94.3368 94.6294 94.8427 94.9429 95.0338 95.1331 95.4031 95.4569 95.7504 95.8672 96.0314 96.1872 96.3259 96.4703 96.6786 96.8136 96.9658 97.1703 97.2685 97.4325 97.5614 97.7088 97.7600 98.0289 98.1150 98.3435 98.4913 98.6180 98.7969 98.9497 99.0540 99.2624 99.3784 99.5990 99.6484 99.9677 100.1117 100.3342 100.4770 100.7498 100.8970 101.2055 101.5309 101.6215 101.8619 101.9959 102.1727 102.4035 102.4888 102.6391 102.9225 103.1072 103.3163 103.5744 103.5953 103.9163 104.0594 104.2807 104.4666 104.5128 104.9527 105.1108 105.1580 105.4974 105.8206 106.0028 106.2840 106.3878 106.4201 106.6070 106.7484 106.8491 107.3046 107.3911 107.5266 107.8213 107.9195 108.1482 108.3524 108.4209 109.0131 109.0612 109.0911 109.4632 109.6539 109.7930 109.9212 110.3528 110.4446 110.6725 110.7324 111.0369 111.2938 111.5773 111.6862 111.7569 111.8740 112.0330 112.0957 112.3752 112.6125 112.7380 112.8315 113.0172 113.0880 113.2180 113.4388 113.5992 113.8419 113.9622 114.2559 114.5924 114.6651 114.8305 115.1409 115.2902 115.3915 115.6698 116.1104 116.1691 116.3783 116.5461 116.7848 116.8872 116.9632 117.1684 117.2692 117.5345 117.7575 117.8673 118.0878 118.1936 118.3625 118.4859 118.6971 118.9584 119.1135 119.2163 119.6499 119.7700 120.3530 120.4309 120.7873 120.9195 121.0797 121.4797 121.6526 121.7111 122.0527 122.0919 122.4367 122.7013 122.7477 122.9756 123.2664 123.3576 123.8298 123.9678 124.1538 124.3112 124.7025 124.9775 125.7122 125.9524 126.2130 126.5855 126.7621 127.2476 127.6310 128.1149 128.7046 128.8099 129.1533 129.4203 129.8726 130.1520 130.5005 130.7595 130.9293 131.2555 131.5126 131.8558 132.2411 132.3812 132.5087 132.7546 133.0541 133.1113 133.4035 133.7681 134.0681 134.3634 134.4992 134.8195 135.0214 135.5084 135.9512 136.1143 136.4685 136.8865 137.1457 137.3382 137.5159 137.9184 138.1255 138.3956 138.4885 138.7013 138.7172 139.0932 139.4506 140.1422 140.8599 141.0554 141.3365 141.8857 142.2170 142.6082 142.9267 143.1940 144.0061 144.4479 144.9835 145.2811 145.6642 146.1915 146.3110 146.8279 147.0750 147.3821 147.9056 148.0771 148.3193 148.5501 148.8429 149.3157 149.4347 149.9784 150.2967 150.5263 150.8333 151.0415 151.2941 151.5560 151.9212 152.2213 152.6363 152.7960 152.9575 153.4628 153.5697 153.7423 154.2775 154.7961 155.3223 155.5171 155.8064 156.4840 156.5987 156.8950 157.1919 157.9793 158.3785 158.6068 159.4967 160.5060 161.2117 162.7171 163.4938 163.6986 163.8811 165.2063 167.9824 168.1577 168.7563 168.9868 169.1555 171.0385 171.4689 173.6150 174.9649 178.6790 179.6830 180.6538 181.4925 186.4829 186.6733 187.0839 187.5794 187.9946 188.5702 188.6449 188.7454 188.8447 189.0764 189.1192 189.2297 189.2658 189.6539 189.9885 190.0742 191.1650 192.4714 192.7264 193.1139 193.4950 193.7214 194.9017 195.4926 196.8025 197.0033 200.3972 201.7783 202.7026 203.0281 203.2400 204.8306 205.0340 206.6369 207.9928 208.2669 209.5161 210.0419 221.1054 221.8656 221.9898 222.7269 222.8425 222.9628 222.9982 223.4235 223.9607 224.4999 224.7943 225.2618 225.4435 225.7217 227.9543 228.0439 228.1843 228.3188 228.5173 228.9173 229.1093 229.6257 230.6362 233.0681 233.2422 235.8921 238.9180 241.0430 241.3127 244.3391 246.0310 247.3322 248.0005 250.3606 252.0433 294.3622 294.7942 295.5984 296.2952 296.5040 297.4536 298.6184 299.1242 308.5399 313.0673 313.2236 313.8932 606.5764 616.5336 624.5285 625.6064 627.8976 630.8400 632.6641 633.8738 634.3643 635.9195 636.3436 638.0853 638.9234 640.1668 640.9645 642.5907 648.8930 649.3266 702.7322 708.6559 716.3913 717.8233 891.9130 1212.1088 1214.1222 1214.8953 1559.0380 1561.5971 1562.3542 -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 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.061318 -0.068204 -0.028318 -0.039317 -0.183815 -0.177499 -0.169218 -0.310960 -0.279672 -0.291664 -0.318305 -0.145994 -0.008003 -0.017964 0.166745 -0.059081 0.092131 0.361181 0.236286 -0.060556 -0.211792 -0.192330 -0.046611 -0.105888 -0.038491 0.556565 0.046560 -0.184383 0.069937 0.077741 0.081078 0.097585 0.100565 0.114193 0.110763 0.084898 0.114143 0.122851 0.130777 0.115383 0.085688 0.113940 0.120375 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 Cl Cl Cl Cl F F F O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 17.0613 17.0682 17.0283 17.0393 9.1838 9.1775 9.1692 8.3110 8.2797 8.2917 7.3183 6.1460 6.0080 6.0180 5.8333 6.0591 5.9079 5.6388 5.7637 6.0606 6.2118 6.1923 6.0466 6.1059 6.0385 5.4434 5.9534 6.1844 5.9301 0.9223 0.9189 0.9024 0.8994 0.8858 0.8892 0.9151 0.8859 0.8771 0.8692 0.8846 0.9143 0.8861 0.8796 17.0000 17.0000 17.0000 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0613 -0.0682 -0.0283 -0.0393 -0.1838 -0.1775 -0.1692 -0.3110 -0.2797 -0.2917 -0.3183 -0.1460 -0.0080 -0.0180 0.1667 -0.0591 0.0921 0.3612 0.2363 -0.0606 -0.2118 -0.1923 -0.0466 -0.1059 -0.0385 0.5566 0.0466 -0.1844 0.0699 0.0777 0.0811 0.0976 0.1006 0.1142 0.1108 0.0849 0.1141 0.1229 0.1308 0.1154 0.0857 0.1139 0.1204 1.2572 1.2453 1.2746 1.2861 1.1149 1.1216 1.1272 2.0868 2.1127 2.0784 3.0069 3.8577 3.9047 3.8297 3.9010 4.0696 3.7937 3.9811 3.8215 3.9085 4.0251 3.9484 3.5738 3.9998 4.1085 4.4040 3.9225 3.8583 4.1764 1.0183 1.0181 1.0158 1.0014 1.0192 1.0052 1.0530 1.0296 1.0198 1.0129 1.0144 1.0103 0.9991 1.0267 1.2572 1.2453 1.2746 1.2861 1.1149 1.1216 1.1272 2.0868 2.1127 2.0784 3.0069 3.8577 3.9047 3.8297 3.9010 4.0696 3.7937 3.9811 3.8215 3.9085 4.0251 3.9484 3.5738 3.9998 4.1085 4.4040 3.9225 3.8583 4.1764 1.0183 1.0181 1.0158 1.0014 1.0192 1.0052 1.0530 1.0296 1.0198 1.0129 1.0144 1.0103 0.9991 1.0267 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.0807 1.0544 1.1627 1.1648 1.1028 1.1203 1.1460 0.9089 1.1380 0.8632 1.1650 1.0358 0.9198 1.3877 1.4816 0.9292 0.9411 0.9898 0.9985 1.0035 0.9982 0.9837 0.9885 1.3227 1.3018 1.4467 1.3837 1.2709 1.3439 1.3733 0.9331 0.9905 1.5286 0.9967 1.3065 1.3660 0.9986 0.9741 1.0190 0.9688 1.0094 0.9643 1.8279 0.9731 0 15 1 16 2 28 3 28 4 25 5 25 6 25 7 12 7 14 8 13 8 17 9 18 9 26 10 17 10 24 11 12 11 13 11 29 11 30 12 31 12 32 13 33 13 34 14 15 14 16 15 19 16 20 17 21 18 19 18 20 19 35 20 36 21 23 21 37 22 23 22 24 22 25 23 38 24 39 26 27 26 40 26 41 27 28 27 42 -0.032563282 -3115.282248256143 -26.86918 26.32853 -0.54065 8.78216 -8.83860 -0.05644 2.70092 -2.59316 0.10776 0.55417 1.40859