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 45 46 Cl Cl O O O N C C C 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 1 1 2 2 2 3 4 4 4 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 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:.3424,-6.5582,-.5093;2.5505,-6.5209,-2.3636;-.6238,-.398,-1.1106;-1.3909,-1.8355,.4273;-.7641,4.8334,.0415;-2.2321,1.0396,-3.6116;1.6433,-2.488,.8119;1.0161,-3.514,-.0834;.8469,-2.0376,-.3955;1.0894,-2.3353,2.208;3.1325,-2.2453,.7444;1.7985,-4.3477,-1.0042;-.5026,-1.4486,-.2824;1.5853,-5.6346,-1.2512;-1.8856,.2679,-1.1395;-1.917,1.4165,-.1623;-2.0691,.7049,-2.5253;-1.3167,2.6265,-.4795;-2.509,1.2326,1.0813;-1.3207,3.6622,.4447;-2.5031,2.2726,1.9965;-1.9165,3.4896,1.6893;-.2929,5.7197,.9713;-.7888,7.013,.951;.6931,5.3515,1.8775;-.2884,7.9489,1.8446;1.1781,6.293,2.7711;.6903,7.5924,2.7596;.1288,-3.9832,.326;1.4364,-1.6452,-1.2164;.0329,-2.5789,2.2793;1.2242,-1.3133,2.5663;1.6304,-2.9973,2.886;3.3736,-1.2704,1.17;3.5271,-2.2591,-.2708;3.6688,-3.002,1.3188;2.6157,-3.8858,-1.5441;-2.6901,-.4345,-.9033;-.8586,2.7876,-1.4481;-2.9635,.2845,1.3341;-2.9694,2.1401,2.9635;-1.9343,4.2966,2.4098;-1.554,7.2809,.2344;1.0819,4.3411,1.8794;-.6727,8.9601,1.8267;1.948,6.0094,3.4764;1.0759,8.3236,3.457; 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 1585 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 216 Dim 1156 ENuc 2644.1303879551 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 7.021e-06 Time for diagonalization 0.263 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.258 sec Total time needed 0.527 sec 17 17 8 8 8 7 6 6 6 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 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:.3424,-6.5582,-.5093;2.5505,-6.5209,-2.3636;-.6238,-.398,-1.1106;-1.3909,-1.8355,.4273;-.7641,4.8334,.0415;-2.2321,1.0396,-3.6116;1.6433,-2.488,.8119;1.0161,-3.514,-.0834;.8469,-2.0376,-.3955;1.0894,-2.3353,2.208;3.1325,-2.2453,.7444;1.7985,-4.3477,-1.0042;-.5026,-1.4486,-.2824;1.5853,-5.6346,-1.2512;-1.8856,.2679,-1.1395;-1.917,1.4165,-.1623;-2.0691,.7049,-2.5253;-1.3167,2.6265,-.4795;-2.509,1.2326,1.0813;-1.3207,3.6622,.4447;-2.5031,2.2726,1.9965;-1.9165,3.4896,1.6893;-.2929,5.7197,.9713;-.7888,7.013,.951;.6931,5.3515,1.8775;-.2884,7.9489,1.8446;1.1781,6.293,2.7711;.6903,7.5924,2.7596;.1288,-3.9832,.326;1.4364,-1.6452,-1.2164;.0329,-2.5789,2.2793;1.2242,-1.3133,2.5663;1.6304,-2.9973,2.886;3.3736,-1.2704,1.17;3.5271,-2.2591,-.2708;3.6688,-3.002,1.3188;2.6157,-3.8858,-1.5441;-2.6901,-.4345,-.9033;-.8586,2.7876,-1.4481;-2.9635,.2845,1.3341;-2.9694,2.1401,2.9635;-1.9343,4.2966,2.4098;-1.554,7.2809,.2344;1.0819,4.3411,1.8794;-.6727,8.9601,1.8267;1.948,6.0094,3.4764;1.0759,8.3236,3.457; 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 4 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:.3424,-6.5582,-.5093;2.5505,-6.5209,-2.3636;-.6238,-.398,-1.1106;-1.3909,-1.8355,.4273;-.7641,4.8334,.0415;-2.2321,1.0396,-3.6116;1.6433,-2.488,.8119;1.0161,-3.514,-.0834;.8469,-2.0376,-.3955;1.0894,-2.3353,2.208;3.1325,-2.2453,.7444;1.7985,-4.3477,-1.0042;-.5026,-1.4486,-.2824;1.5853,-5.6346,-1.2512;-1.8856,.2679,-1.1395;-1.917,1.4165,-.1623;-2.0691,.7049,-2.5253;-1.3167,2.6265,-.4795;-2.509,1.2326,1.0813;-1.3207,3.6622,.4447;-2.5031,2.2726,1.9965;-1.9165,3.4896,1.6893;-.2929,5.7197,.9713;-.7888,7.013,.951;.6931,5.3515,1.8775;-.2884,7.9489,1.8446;1.1781,6.293,2.7711;.6903,7.5924,2.7596;.1288,-3.9832,.326;1.4364,-1.6452,-1.2164;.0329,-2.5789,2.2793;1.2242,-1.3133,2.5663;1.6304,-2.9973,2.886;3.3736,-1.2704,1.17;3.5271,-2.2591,-.2708;3.6688,-3.002,1.3188;2.6157,-3.8858,-1.5441;-2.6901,-.4345,-.9033;-.8586,2.7876,-1.4481;-2.9635,.2845,1.3341;-2.9694,2.1401,2.9635;-1.9343,4.2966,2.4098;-1.554,7.2809,.2344;1.0819,4.3411,1.8794;-.6727,8.9601,1.8267;1.948,6.0094,3.4764;1.0759,8.3236,3.457; -2050.66181613 2644.13038796 -4694.79220408 -8063.45765967 3368.66545559 -4095.19188795 2044.53007182 2.00299910 108.000127082504 108.000127082504 216.000254165008 -151.870016368489 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 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.7199 -2765.6627 -525.3387 -524.7669 -523.4510 -392.7489 -283.8076 -282.9886 -282.9827 -281.9330 -281.7174 -280.9911 -280.9591 -280.7042 -280.6992 -280.6875 -280.6076 -280.2523 -280.1680 -280.1648 -280.1488 -280.1251 -280.0914 -280.0842 -280.0237 -279.9790 -279.9077 -279.6598 -260.9886 -260.9306 -199.8317 -199.7758 -199.5835 -199.5761 -199.5231 -199.5184 -34.2421 -33.2036 -31.6713 -28.5776 -28.2551 -27.9680 -27.3842 -26.9198 -26.0801 -25.5470 -24.4905 -24.3673 -23.9883 -23.8436 -23.3660 -23.2585 -22.4265 -21.4507 -20.7854 -20.3954 -20.0452 -19.4991 -19.2078 -18.7445 -18.4690 -18.3366 -17.6487 -17.2156 -17.1989 -16.5388 -16.5254 -16.4143 -16.2505 -16.1283 -15.9979 -15.7086 -15.1910 -15.0802 -15.0254 -14.8567 -14.6686 -14.6171 -14.3062 -14.2190 -14.1241 -14.0640 -13.8424 -13.5684 -13.4534 -13.2525 -13.1883 -13.1567 -12.9900 -12.8004 -12.7581 -12.4964 -12.4265 -12.1877 -12.1496 -12.0265 -11.9452 -11.7821 -11.6709 -11.5122 -11.2666 -10.8726 -10.6809 -9.8975 -9.6842 -9.5606 -9.0756 -8.7522 0.7800 1.1607 1.2640 1.4656 1.7556 2.0478 2.4848 2.6830 2.7495 2.9802 3.0825 3.4059 3.5575 3.7504 3.9690 4.0503 4.2333 4.3078 4.4347 4.5001 4.5947 4.6395 4.8011 4.8341 4.9642 5.1021 5.1579 5.3397 5.5583 5.6491 5.7404 5.8222 5.8330 5.9241 6.1090 6.2726 6.3575 6.4162 6.6818 6.8807 7.0453 7.1701 7.2619 7.3125 7.4663 7.5371 7.6341 7.7113 7.7325 7.7985 7.8652 7.9980 8.0473 8.0793 8.2614 8.3835 8.4279 8.5033 8.6472 8.7142 8.8892 9.0303 9.1612 9.2035 9.2816 9.4885 9.5695 9.7019 9.7503 9.8249 9.9222 9.9918 10.0323 10.2639 10.3058 10.4523 10.5680 10.6300 10.7647 10.8437 10.9737 11.0559 11.2037 11.3254 11.4261 11.5129 11.5179 11.5920 11.7100 11.7251 11.7451 11.8463 11.9352 12.0118 12.0715 12.2100 12.3459 12.4419 12.4642 12.5831 12.6339 12.6828 12.8189 12.8700 12.9845 13.0845 13.1382 13.2261 13.4520 13.4833 13.5520 13.6075 13.6503 13.7154 13.8498 13.9209 14.0908 14.1251 14.1452 14.2355 14.3320 14.5106 14.5946 14.6449 14.7453 14.8830 15.0776 15.1474 15.2182 15.2636 15.3436 15.4219 15.5245 15.5999 15.6488 15.6968 15.8630 15.9694 16.0128 16.1663 16.2351 16.3165 16.4720 16.5239 16.6398 16.7313 16.8682 17.0176 17.1664 17.3404 17.4762 17.5316 17.6829 17.7659 18.0123 18.0447 18.2399 18.4803 18.5576 18.5951 18.7882 19.0097 19.0449 19.1997 19.4320 19.5871 19.6538 19.8466 19.9865 20.1665 20.2161 20.2923 20.3412 20.3755 20.5298 20.5979 20.7362 20.9496 21.0185 21.1405 21.2612 21.3003 21.4861 21.5610 21.7185 21.7632 21.8925 22.1223 22.1636 22.3507 22.5904 22.7124 22.8541 22.9623 23.1331 23.3435 23.3752 23.4019 23.6262 23.7534 23.8716 23.9272 24.1807 24.2388 24.3574 24.5559 24.7233 24.7890 24.8711 25.1613 25.2035 25.5731 25.8619 26.0293 26.2230 26.3532 26.4142 26.5301 26.7878 26.8417 27.0715 27.1430 27.2910 27.3784 27.4339 27.6480 27.8697 27.9573 28.1921 28.3851 28.4446 28.5004 28.5679 28.7651 28.9335 29.0269 29.1437 29.1816 29.2965 29.4781 29.5158 29.8833 29.9362 30.1248 30.2274 30.2717 30.3859 30.4682 30.5861 30.7342 30.9541 31.2190 31.2513 31.3270 31.5680 31.7662 31.7863 31.9879 32.2077 32.3008 32.4047 32.4740 32.5693 32.7976 32.8084 32.9791 33.3459 33.4382 33.5989 33.8203 33.8681 33.9991 34.1223 34.3101 34.3837 34.5316 34.7025 34.9449 35.0538 35.0776 35.3182 35.4034 35.5556 35.6571 35.8836 35.9241 35.9637 36.1822 36.3577 36.4330 36.5880 36.7056 36.8197 36.9196 37.0751 37.3030 37.3346 37.5228 37.7274 37.7762 37.8675 37.9583 38.0249 38.2598 38.2898 38.4574 38.6176 38.6261 38.8511 38.9125 39.0571 39.1718 39.2308 39.5003 39.5741 39.7540 39.9071 40.2759 40.4021 40.5648 40.5938 40.6574 40.8445 40.8973 41.0085 41.2702 41.6079 41.7068 41.8131 41.8957 41.9428 42.0545 42.3750 42.4015 42.5323 42.7817 42.8601 43.0094 43.1933 43.3229 43.5070 43.6049 43.6476 43.7243 43.8552 43.9744 44.0764 44.1378 44.2565 44.3785 44.5227 44.6923 45.0010 45.0548 45.2200 45.4615 45.5579 45.5921 45.9011 46.0900 46.2230 46.3294 46.4261 46.7196 46.8378 47.0088 47.2490 47.3215 47.4287 47.6856 47.8367 47.9119 48.1395 48.2111 48.3155 48.4339 48.8869 49.0093 49.1140 49.2423 49.5850 49.7161 49.8464 50.0169 50.3184 50.4518 50.6416 50.7096 50.9204 51.0666 51.0785 51.2769 51.3535 51.4258 51.6053 51.8503 51.9693 52.0475 52.3509 52.3673 52.4938 52.6714 53.0412 53.1035 53.2038 53.2791 53.5033 53.9336 54.1693 54.3026 54.7448 55.0849 55.0998 55.1974 55.3944 55.6569 55.8011 56.0528 56.2015 56.2626 56.7569 56.8803 56.9611 57.0933 57.2512 57.3517 57.7877 57.8601 58.1229 58.2100 58.3991 58.6375 58.7339 58.7998 59.0889 59.2276 59.3390 59.3792 59.5902 59.8374 59.9152 60.1437 60.2345 60.4210 60.5794 61.2383 61.3242 61.5879 61.6854 61.7774 62.0094 62.2622 62.8517 62.9720 63.0175 63.0858 63.2576 63.3217 63.5789 63.6748 63.8231 64.1181 64.3809 64.5253 64.6679 64.7250 65.0336 65.3653 65.4188 65.5992 65.6420 65.9495 66.0035 66.1559 66.5583 66.8276 66.9437 67.1720 67.3150 67.5953 67.6436 67.7822 67.9446 68.4739 68.5458 68.7017 69.0044 69.0890 69.4145 69.5938 70.0722 70.2235 70.6229 71.0508 71.3372 71.6568 71.9018 71.9888 72.4949 72.6648 72.8492 73.0116 73.3347 73.5536 73.8872 73.9872 74.2323 74.3030 74.4756 74.5797 74.8634 74.8887 75.0404 75.1612 75.4788 75.6407 75.8729 76.2250 76.4043 76.6102 76.7466 76.8235 77.0886 77.2573 77.3847 77.5471 77.7221 77.8328 77.9422 78.0471 78.1240 78.1774 78.3832 78.5969 78.7451 78.8698 78.9357 79.0553 79.2355 79.3131 79.3588 79.5074 79.6033 79.6702 79.8915 80.1831 80.2689 80.4243 80.9259 80.9463 81.0970 81.2558 81.3404 81.4328 81.6476 81.7370 81.8893 81.9962 82.0916 82.1598 82.3323 82.6453 82.6971 82.7796 82.9391 83.1132 83.1694 83.4783 83.5573 83.6072 83.8160 84.1043 84.2456 84.3700 84.4245 84.5767 84.6683 84.9415 85.0067 85.0469 85.2193 85.2876 85.2979 85.3953 85.5476 85.6741 85.8118 85.8595 85.9551 86.1367 86.2766 86.4162 86.4619 86.6624 86.9993 87.2097 87.3137 87.5839 87.6548 87.7472 87.9460 88.0385 88.1375 88.3845 88.4556 88.5121 88.5682 88.6871 88.8478 88.8992 88.9315 89.0095 89.2030 89.3110 89.4142 89.6295 89.6495 89.7013 89.7852 90.1495 90.2662 90.4886 90.7047 90.7781 91.0430 91.0506 91.0980 91.2483 91.2879 91.6830 91.9364 92.0526 92.1723 92.2082 92.3062 92.4476 92.5471 92.6172 92.8046 92.9134 93.0316 93.1852 93.2508 93.3081 93.3463 93.6199 93.7404 93.8272 94.0200 94.1478 94.2946 94.3604 94.4315 94.5600 94.7452 94.7630 94.9480 95.1333 95.2468 95.3177 95.4084 95.5458 95.6977 95.9168 96.0323 96.1784 96.4307 96.5388 96.6553 96.8715 96.9380 97.0797 97.2451 97.3864 97.5180 97.7107 97.9083 97.9413 97.9702 98.2555 98.2791 98.3448 98.5168 98.6603 98.7514 98.9934 99.2540 99.5185 99.5533 99.7450 100.0913 100.2529 100.3318 100.4221 100.6163 100.9992 101.1489 101.3393 101.4515 101.8463 101.9734 102.1810 102.4652 102.6092 102.6744 102.8127 103.2632 103.3827 103.6413 103.9071 104.0616 104.2172 104.3754 104.5486 104.6156 104.9485 105.0256 105.1975 105.2523 105.3002 105.3571 105.4887 105.7068 105.8685 105.9275 106.1117 106.2939 106.4060 106.5304 106.5749 106.6890 106.9848 107.0934 107.2571 107.3677 107.6384 107.8067 107.9879 108.1779 108.4222 108.4388 108.6950 109.0085 109.1254 109.2695 109.4436 109.5672 109.7998 109.9949 110.1218 110.4096 110.6117 110.6582 110.7297 110.7885 110.8718 111.0686 111.1552 111.2543 111.3299 111.4677 111.9415 112.0648 112.1380 112.4630 112.5494 112.8821 113.1112 113.2362 113.4142 113.5395 113.8829 113.9735 114.1757 114.2590 114.3558 114.4702 114.7568 114.9683 115.0907 115.2963 115.5773 115.6827 116.0384 116.1235 116.2399 116.3193 116.4021 116.5179 116.7770 116.8114 116.9129 117.0949 117.2540 117.4104 117.5560 117.6216 117.6962 118.0163 118.0308 118.1763 118.2969 118.3684 118.4712 118.6797 118.8155 118.9116 119.0949 119.4982 119.6413 119.7994 119.8478 120.0349 120.1512 120.4070 120.5258 120.8293 121.0166 121.1645 121.4366 121.6403 121.9132 122.0172 122.2255 122.7522 122.8823 123.1475 123.2622 123.4055 123.6102 123.8895 124.1328 124.3588 125.1106 125.2296 125.5587 125.9053 125.9716 126.3047 126.3924 126.6389 127.0210 127.4036 127.6844 127.9108 128.0897 128.2582 128.5388 128.7482 128.8283 128.9880 129.1274 129.4018 129.5976 129.8299 130.0684 130.1020 130.3331 130.4174 130.5449 130.8431 131.0586 131.2388 131.5233 131.6250 131.9000 131.9443 132.0608 132.3174 132.5841 132.6802 132.8334 132.9667 133.8959 134.1295 134.3037 134.6663 134.7815 134.8432 135.2139 135.2739 135.9786 136.1077 136.3942 136.7233 137.3507 137.7949 137.9391 138.0011 138.2177 138.2801 138.7036 138.7854 139.1633 139.2618 140.0297 140.3183 140.6593 140.9446 141.0034 141.3557 141.7617 141.9485 142.6762 142.9091 143.6822 143.8607 143.9196 143.9583 144.0377 144.1846 144.3294 144.9167 144.9400 145.3304 145.4523 145.6602 145.8515 146.0814 146.4097 146.6380 146.8821 147.1093 147.3621 147.5805 147.9086 148.0238 148.1094 148.6093 148.8039 149.2215 149.3592 149.7234 149.9954 150.1536 150.3275 150.6887 151.2033 151.6755 151.9894 152.0080 152.1828 152.5043 153.2690 153.4620 154.2430 154.6319 154.8045 155.2746 155.5645 156.1974 156.3893 156.9050 157.0677 157.2811 157.3688 157.4700 158.4016 158.8668 159.0650 159.2244 159.3800 159.5606 160.2851 160.8459 161.5609 161.6040 161.7642 162.0925 163.5123 163.9234 164.5198 165.5811 167.0941 167.9829 168.7634 169.7344 172.2953 172.5327 172.6066 173.1980 174.0098 175.7249 177.3035 178.7159 179.3667 181.2665 182.2135 184.8890 185.4748 186.6065 187.2999 189.0137 189.8391 191.6937 192.5539 193.5548 196.0443 196.1970 198.6244 201.5600 204.6443 206.5071 206.5631 221.3035 221.6492 222.3615 222.8881 222.9111 223.4948 225.7248 225.9512 227.8963 229.3226 294.4682 294.7381 295.6836 297.1027 308.5422 313.3279 608.8497 617.9903 620.1001 625.2811 628.8336 631.2152 631.4986 632.2671 633.9185 634.4520 635.0962 635.1875 636.3961 636.5938 637.4693 639.2448 641.6947 642.3278 646.8563 650.0831 657.1520 658.0244 702.1663 708.1128 876.7255 1200.1398 1212.7557 1215.1833 -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 Cl Cl O O O N C C C 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 -0.038760 -0.043350 -0.258269 -0.389118 -0.291452 -0.002155 0.067428 0.040391 -0.099081 -0.248298 -0.242679 -0.201910 0.371925 0.052174 0.322673 -0.008262 -0.259951 -0.185331 -0.131361 0.195290 -0.126625 -0.144293 0.210918 -0.182405 -0.152297 -0.104214 -0.118050 -0.129945 0.087078 0.083006 0.102447 0.087703 0.090312 0.093581 0.073858 0.099862 0.097084 0.122750 0.121998 0.126816 0.130842 0.134427 0.128783 0.132424 0.128313 0.127767 0.127957 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 Cl Cl O O O N C C C 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 17.0388 17.0434 8.2583 8.3891 8.2915 7.0022 5.9326 5.9596 6.0991 6.2483 6.2427 6.2019 5.6281 5.9478 5.6773 6.0083 6.2600 6.1853 6.1314 5.8047 6.1266 6.1443 5.7891 6.1824 6.1523 6.1042 6.1180 6.1299 0.9129 0.9170 0.8976 0.9123 0.9097 0.9064 0.9261 0.9001 0.9029 0.8773 0.8780 0.8732 0.8692 0.8656 0.8712 0.8676 0.8717 0.8722 0.8720 17.0000 17.0000 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 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 -0.0388 -0.0434 -0.2583 -0.3891 -0.2915 -0.0022 0.0674 0.0404 -0.0991 -0.2483 -0.2427 -0.2019 0.3719 0.0522 0.3227 -0.0083 -0.2600 -0.1853 -0.1314 0.1953 -0.1266 -0.1443 0.2109 -0.1824 -0.1523 -0.1042 -0.1180 -0.1299 0.0871 0.0830 0.1024 0.0877 0.0903 0.0936 0.0739 0.0999 0.0971 0.1227 0.1220 0.1268 0.1308 0.1344 0.1288 0.1324 0.1283 0.1278 0.1280 1.2887 1.2617 2.1334 2.1115 2.1122 3.1148 3.7541 3.8319 3.8787 3.9139 3.9108 3.9225 4.2163 4.2521 3.8132 3.7336 4.0274 4.0990 3.9643 3.9145 3.9821 3.9262 3.8281 4.0314 3.9647 3.9376 3.9429 3.9498 1.0495 1.0354 1.0214 1.0019 1.0012 1.0042 1.0104 1.0023 1.0309 1.0193 1.0297 1.0209 1.0011 1.0048 1.0118 1.0031 0.9989 0.9998 0.9998 1.2887 1.2617 2.1334 2.1115 2.1122 3.1148 3.7541 3.8319 3.8787 3.9139 3.9108 3.9225 4.2163 4.2521 3.8132 3.7336 4.0274 4.0990 3.9643 3.9145 3.9821 3.9262 3.8281 4.0314 3.9647 3.9376 3.9429 3.9498 1.0495 1.0354 1.0214 1.0019 1.0012 1.0042 1.0104 1.0023 1.0309 1.0193 1.0297 1.0209 1.0011 1.0048 1.0118 1.0031 0.9989 0.9998 0.9998 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 1.1973 1.1554 1.1455 0.8541 1.9171 1.0140 0.9193 3.0565 0.9083 0.8659 0.9641 0.9556 0.9048 1.0247 0.9890 1.0473 1.0174 0.9831 0.9901 0.9889 0.9883 0.9869 0.9941 1.8701 0.9530 0.9379 0.9113 1.0005 1.4433 1.3462 1.4563 0.9346 1.4642 0.9731 1.3573 1.4338 0.9706 0.9595 1.4335 1.3838 1.4304 0.9706 1.4330 0.9669 1.4312 0.9730 1.4271 0.9723 0.9756 0 13 1 13 2 12 2 14 3 12 4 19 4 22 5 16 6 7 6 8 6 9 6 10 7 8 7 11 7 28 8 12 8 29 9 30 9 31 9 32 10 33 10 34 10 35 11 13 11 36 14 15 14 16 14 37 15 17 15 18 17 19 17 38 18 20 18 39 19 21 20 21 20 40 21 41 22 23 22 24 23 25 23 42 24 26 24 43 25 27 25 44 26 27 26 45 27 46 -0.022569400 -2050.684385529910 3.98054 -3.07939 0.90115 37.62476 -36.81804 0.80673 24.64408 -22.65224 1.99183 2.33030 5.92314