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:4.0229,-4.2776,.3903;2.596,-6.7214,-.1679;-1.3505,-.9327,.2474;.7623,-.1927,.223;-1.3386,4.7752,-.6584;-3.6122,-.6574,2.6527;1.0785,-2.1761,-2.172;1.5379,-2.8593,-.9186;.1735,-2.1937,-.9563;1.7961,-.9156,-2.5897;.6177,-3.0059,-3.3475;1.6085,-4.3217,-.8011;-.0571,-1,-.1182;2.6121,-5.0053,-.2643;-1.7373,.1842,1.0392;-2.2199,1.3222,.175;-2.7937,-.299,1.9309;-1.5354,2.5273,.1926;-3.3265,1.1487,-.648;-1.9772,3.5776,-.6053;-3.743,2.1946,-1.4529;-3.0796,3.4116,-1.431;-.7311,5.2767,.4599;.5552,5.7746,.3237;-1.3916,5.3438,1.6803;1.1828,6.3513,1.4176;-.7487,5.9138,2.7677;.5377,6.4195,2.643;2.2856,-2.311,-.3569;-.6823,-2.8553,-1.0296;2.1938,-.3517,-1.7502;1.129,-.2582,-3.1502;2.6303,-1.1759,-3.2436;1.4749,-3.3782,-3.9107;.0137,-2.3982,-4.0226;.0132,-3.8653,-3.0592;.7768,-4.9051,-1.1766;-.9034,.5191,1.6633;-.6584,2.6439,.8173;-3.8634,.2088,-.6561;-4.6043,2.0701,-2.0953;-3.4094,4.2353,-2.0501;1.0526,5.7148,-.6353;-2.4,4.9625,1.7805;2.1854,6.7435,1.3096;-1.263,5.968,3.718;1.0316,6.866,3.4952; 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 2675.9181086723 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 7.144e-06 Time for diagonalization 0.256 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.245 sec Total time needed 0.506 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:4.0229,-4.2776,.3903;2.596,-6.7214,-.1679;-1.3505,-.9327,.2474;.7623,-.1927,.223;-1.3386,4.7752,-.6584;-3.6122,-.6574,2.6527;1.0785,-2.1761,-2.172;1.5379,-2.8593,-.9186;.1735,-2.1937,-.9563;1.7961,-.9156,-2.5897;.6177,-3.0059,-3.3475;1.6085,-4.3217,-.8011;-.0571,-1,-.1182;2.6121,-5.0053,-.2643;-1.7373,.1842,1.0392;-2.2199,1.3222,.175;-2.7937,-.299,1.9309;-1.5354,2.5273,.1926;-3.3265,1.1487,-.648;-1.9772,3.5776,-.6053;-3.743,2.1946,-1.4529;-3.0796,3.4116,-1.431;-.7311,5.2767,.4599;.5552,5.7746,.3237;-1.3916,5.3438,1.6803;1.1828,6.3513,1.4176;-.7487,5.9138,2.7677;.5377,6.4195,2.643;2.2856,-2.311,-.3569;-.6823,-2.8553,-1.0296;2.1938,-.3517,-1.7502;1.129,-.2582,-3.1502;2.6303,-1.1759,-3.2436;1.4749,-3.3782,-3.9107;.0137,-2.3982,-4.0226;.0132,-3.8652,-3.0592;.7768,-4.9051,-1.1766;-.9034,.5191,1.6633;-.6584,2.6439,.8173;-3.8634,.2088,-.6561;-4.6043,2.0701,-2.0953;-3.4094,4.2353,-2.0501;1.0526,5.7148,-.6353;-2.4,4.9625,1.7805;2.1854,6.7435,1.3096;-1.263,5.968,3.718;1.0316,6.866,3.4952; 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:4.0229,-4.2776,.3903;2.596,-6.7214,-.1679;-1.3505,-.9327,.2474;.7623,-.1927,.223;-1.3386,4.7752,-.6584;-3.6122,-.6574,2.6527;1.0785,-2.1761,-2.172;1.5379,-2.8593,-.9186;.1735,-2.1937,-.9563;1.7961,-.9156,-2.5897;.6177,-3.0059,-3.3475;1.6085,-4.3217,-.8011;-.0571,-1,-.1182;2.6121,-5.0053,-.2643;-1.7373,.1842,1.0392;-2.2199,1.3222,.175;-2.7937,-.299,1.9309;-1.5354,2.5273,.1926;-3.3265,1.1487,-.648;-1.9772,3.5776,-.6053;-3.743,2.1946,-1.4529;-3.0796,3.4116,-1.431;-.7311,5.2767,.4599;.5552,5.7746,.3237;-1.3916,5.3438,1.6803;1.1828,6.3513,1.4176;-.7487,5.9138,2.7677;.5377,6.4195,2.643;2.2856,-2.311,-.3569;-.6823,-2.8553,-1.0296;2.1938,-.3517,-1.7502;1.129,-.2582,-3.1502;2.6303,-1.1759,-3.2436;1.4749,-3.3782,-3.9107;.0137,-2.3982,-4.0226;.0132,-3.8653,-3.0592;.7768,-4.9051,-1.1766;-.9034,.5191,1.6633;-.6584,2.6439,.8173;-3.8634,.2088,-.6561;-4.6043,2.0701,-2.0953;-3.4094,4.2353,-2.0501;1.0526,5.7148,-.6353;-2.4,4.9625,1.7805;2.1854,6.7435,1.3096;-1.263,5.968,3.718;1.0316,6.866,3.4952; -2050.66154338 2675.91810867 -4726.57965206 -8127.06886251 3400.48921045 -4095.19047117 2044.52892778 2.00299952 108.000045304243 108.000045304243 216.000090608486 -151.869290896031 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 -2765.7305 -2765.6707 -525.3423 -524.7701 -523.4557 -392.7479 -283.8065 -282.9935 -282.9900 -281.9302 -281.6964 -280.9809 -280.9646 -280.7391 -280.7152 -280.6970 -280.6147 -280.2827 -280.2793 -280.1505 -280.1394 -280.0752 -280.0583 -280.0136 -279.9555 -279.8942 -279.8928 -279.6274 -260.9989 -260.9386 -199.8420 -199.7838 -199.5940 -199.5862 -199.5311 -199.5265 -34.2615 -33.2002 -31.6861 -28.5840 -28.2524 -27.9652 -27.4043 -26.8771 -26.0895 -25.5794 -24.3745 -24.3572 -23.9772 -23.8975 -23.4820 -23.1337 -22.4027 -21.4612 -20.8731 -20.2218 -19.9435 -19.6304 -19.3223 -18.6711 -18.4823 -18.2615 -17.5465 -17.2916 -17.1870 -16.6673 -16.4997 -16.4410 -16.1699 -16.0980 -15.9715 -15.6767 -15.2600 -15.0948 -15.0581 -14.8650 -14.6680 -14.5585 -14.3041 -14.2410 -14.0781 -13.9856 -13.8507 -13.5687 -13.4445 -13.2186 -13.1900 -13.1205 -12.9664 -12.8816 -12.7292 -12.4835 -12.4100 -12.2152 -12.1531 -12.0338 -11.8872 -11.7845 -11.6469 -11.5023 -11.2735 -10.8715 -10.6909 -9.9407 -9.6496 -9.5538 -9.0847 -8.6916 0.7849 1.1817 1.2079 1.5420 1.7924 2.0193 2.4769 2.6292 2.7418 2.9778 3.1520 3.4071 3.5801 3.7409 3.9624 4.0478 4.2102 4.3208 4.4137 4.4878 4.5563 4.7064 4.7990 4.8987 4.9480 5.1096 5.1626 5.3807 5.4676 5.5378 5.7168 5.8573 5.9059 6.0031 6.0960 6.3339 6.3862 6.5132 6.7161 6.7698 7.0104 7.0656 7.2677 7.3677 7.4417 7.5227 7.5810 7.6464 7.7607 7.8047 7.8580 8.0100 8.0541 8.2083 8.2729 8.3415 8.4562 8.5722 8.6519 8.7749 8.8665 9.0473 9.1258 9.1832 9.2145 9.4027 9.5727 9.6713 9.7503 9.8426 9.9276 9.9661 10.1088 10.3034 10.3491 10.4028 10.5981 10.7225 10.8188 10.9135 10.9736 11.0746 11.1498 11.3063 11.3475 11.4257 11.4459 11.5497 11.6216 11.7204 11.7825 11.8732 11.9584 12.0440 12.1345 12.2047 12.3928 12.4508 12.5446 12.6406 12.7165 12.7353 12.8264 12.8657 12.9521 13.0077 13.1252 13.2814 13.4330 13.4648 13.5629 13.5985 13.7151 13.7785 13.8124 13.9191 13.9958 14.0578 14.1289 14.2237 14.3492 14.5259 14.5872 14.7226 14.8530 14.9043 14.9486 15.0502 15.1625 15.2229 15.2973 15.4034 15.5351 15.6512 15.6993 15.8282 15.9703 16.0759 16.0913 16.1458 16.2543 16.2927 16.4633 16.4787 16.5567 16.6694 16.7555 16.9748 17.1208 17.3282 17.3626 17.5126 17.7364 17.7837 17.9502 18.0727 18.2329 18.4079 18.5545 18.7517 18.9321 18.9985 19.0718 19.1575 19.4381 19.5660 19.7208 19.7745 19.8830 20.0760 20.1989 20.3088 20.3240 20.4436 20.4837 20.7810 20.8249 20.9471 21.0858 21.1080 21.3089 21.3347 21.4017 21.6068 21.6482 21.8524 21.9201 22.0883 22.1859 22.3699 22.6523 22.7512 22.8991 22.9817 23.1095 23.3065 23.3625 23.5284 23.6642 23.8128 23.9108 23.9330 24.1575 24.2288 24.3289 24.5629 24.6568 24.7916 24.9214 25.1990 25.3807 25.4831 25.8079 25.9403 26.1374 26.2737 26.4488 26.5655 26.7592 26.9176 26.9410 27.1960 27.2783 27.4346 27.6087 27.6599 27.8086 27.9137 28.0721 28.1767 28.4602 28.5772 28.6293 28.9074 28.9521 29.0648 29.1302 29.3560 29.4748 29.4898 29.6656 29.7855 29.8228 29.9693 30.1434 30.2414 30.4141 30.4977 30.6135 30.7181 30.9785 31.1808 31.2589 31.5109 31.6534 31.8475 32.0295 32.2132 32.2771 32.4083 32.5400 32.5940 32.6742 32.7594 32.9421 33.2472 33.3658 33.4802 33.6173 33.7997 33.8715 33.9885 34.1271 34.3055 34.4152 34.6823 34.8053 34.9177 35.0723 35.1313 35.2988 35.4239 35.5098 35.7504 35.8621 35.9100 36.0915 36.2160 36.3824 36.4843 36.6239 36.7812 37.0581 37.1658 37.2063 37.3437 37.4481 37.6277 37.6930 37.7537 37.8731 37.9675 38.1756 38.2174 38.3775 38.4710 38.5559 38.7026 38.7475 38.9730 39.0993 39.2009 39.2632 39.3824 39.6318 39.8309 40.1753 40.2202 40.3185 40.4983 40.5527 40.7587 40.8593 40.9252 41.0159 41.1680 41.5208 41.6007 41.6719 41.9244 42.0079 42.1754 42.2231 42.3626 42.5464 42.7215 42.8250 42.9893 43.0954 43.2629 43.4185 43.5518 43.6190 43.8126 43.8522 43.8861 44.0528 44.1366 44.2846 44.4285 44.4816 44.7262 44.9920 45.2267 45.3079 45.4476 45.6444 45.7466 45.7912 45.8707 46.0946 46.2959 46.5814 46.8540 46.9666 47.0246 47.2490 47.3094 47.4895 47.7155 47.8393 47.9672 48.1682 48.2161 48.5122 48.5947 48.7155 48.9908 49.1168 49.1832 49.6062 49.7665 49.8812 50.1432 50.3546 50.5043 50.6655 50.6866 50.7881 50.8740 51.0934 51.3227 51.4301 51.5222 51.6790 51.8381 52.0701 52.2808 52.3318 52.4266 52.5481 52.6876 52.8071 53.0543 53.2217 53.6060 53.8728 53.9799 54.1725 54.6366 54.6871 54.9659 55.1402 55.2202 55.8007 55.8494 56.0298 56.1499 56.3342 56.6412 56.7710 56.8608 56.9645 57.1061 57.1729 57.5086 57.6908 58.0211 58.1061 58.1869 58.4642 58.6312 58.6888 58.7981 59.0170 59.2847 59.3372 59.4994 59.6326 59.8064 59.9124 60.1233 60.1707 60.5768 60.5817 60.9854 61.2875 61.4443 61.6685 61.8760 62.2460 62.3853 62.7278 62.9756 63.1336 63.2417 63.2573 63.4598 63.6811 63.8729 64.0455 64.0902 64.3147 64.5129 64.6860 64.8505 64.9496 65.2543 65.5511 65.6722 65.8317 65.9850 66.1812 66.2575 66.4311 66.9483 67.0518 67.3066 67.5517 67.5563 67.6860 67.9466 68.2283 68.4082 68.5485 68.6632 68.8740 69.0496 69.2628 69.6739 70.0862 70.3298 70.6941 71.0332 71.1796 71.7486 71.7749 72.1997 72.3539 72.5602 72.7676 72.9570 73.3322 73.6141 73.6769 73.9659 74.0926 74.2343 74.3156 74.4690 74.6525 74.9649 75.1534 75.2205 75.5563 75.8466 76.0877 76.2102 76.3161 76.5425 76.6908 76.8764 77.0099 77.3759 77.4125 77.5207 77.7681 77.8188 77.9819 78.2206 78.3185 78.5368 78.6108 78.6702 78.8815 78.9308 79.1036 79.1744 79.2931 79.3941 79.4813 79.5588 79.6078 79.8193 80.0057 80.1023 80.3309 80.5195 80.6908 80.8651 80.9789 81.0870 81.2206 81.4090 81.5792 81.7456 81.8113 82.0593 82.1948 82.2826 82.4113 82.4855 82.5181 82.6551 82.8779 83.0704 83.1905 83.3520 83.3950 83.6569 83.8263 84.1040 84.1609 84.4060 84.4578 84.4874 84.6558 84.7624 84.8088 85.0564 85.1855 85.2175 85.3240 85.4180 85.6449 85.6767 85.8365 85.9420 86.0156 86.2091 86.3858 86.4010 86.5786 86.6414 86.7655 87.0631 87.1498 87.4050 87.5026 87.6970 87.8502 88.0126 88.1455 88.2038 88.2503 88.5460 88.5841 88.6429 88.8405 88.9550 89.0359 89.1479 89.1746 89.4069 89.5656 89.5875 89.7640 89.8191 89.9305 90.1467 90.2553 90.3687 90.4940 90.7562 90.9543 91.0392 91.1839 91.2658 91.6029 91.7238 91.8259 92.0263 92.1477 92.2038 92.3423 92.4127 92.5135 92.5786 92.7839 92.9783 93.0271 93.0985 93.2629 93.3506 93.4527 93.4924 93.6241 93.7635 93.8939 93.9216 94.2762 94.3858 94.4611 94.5463 94.6625 94.9044 95.0221 95.0814 95.2652 95.3660 95.4220 95.6562 95.8675 96.0284 96.1610 96.3863 96.5291 96.6866 96.7585 96.8126 97.0144 97.0737 97.2888 97.4220 97.4882 97.5820 97.7398 98.0483 98.1764 98.2344 98.3916 98.4635 98.5643 98.6550 98.7409 98.8665 99.0190 99.4121 99.6183 99.8921 100.1524 100.2806 100.3291 100.6775 100.9115 101.0467 101.1416 101.3156 101.4887 101.7533 102.0698 102.2262 102.4149 102.5225 102.7912 102.9886 103.0874 103.4289 103.5796 103.8648 104.1021 104.2867 104.4580 104.5078 104.6270 104.8901 104.9999 105.1511 105.2766 105.4291 105.5156 105.5981 105.7191 105.7853 105.8915 106.0867 106.1598 106.2803 106.4460 106.7459 106.8642 106.9971 107.1565 107.2833 107.3267 107.4608 107.5711 107.8514 108.0760 108.2039 108.4713 108.6402 108.8283 109.0765 109.1086 109.4123 109.6559 109.7916 110.0462 110.2917 110.3438 110.4128 110.5886 110.6515 110.8161 110.9004 111.0205 111.1042 111.2833 111.4239 111.8345 112.0331 112.3325 112.4483 112.5161 112.5950 112.7884 112.8892 113.2176 113.4240 113.5131 113.7483 113.9544 114.0248 114.1881 114.4244 114.5019 114.9088 115.1205 115.2701 115.4131 115.5851 115.8138 115.9566 115.9982 116.1495 116.2208 116.4050 116.4557 116.5530 116.9013 117.0287 117.0962 117.3631 117.4409 117.4902 117.5559 117.6156 118.0041 118.1603 118.2412 118.3377 118.3749 118.4896 118.5766 118.8030 118.9068 119.2958 119.3592 119.7691 119.8756 119.9894 120.1063 120.1808 120.3884 120.4712 120.7562 120.9205 121.1737 121.5110 121.6604 121.9361 121.9826 122.3358 122.5025 122.5856 122.9867 123.2777 123.3944 123.7663 123.9876 124.0804 124.5744 124.9655 125.1389 125.5028 125.7905 126.0759 126.1964 126.4993 126.7352 127.0069 127.1469 127.7833 127.8680 128.1871 128.4431 128.4798 128.6516 128.9237 129.0042 129.0987 129.4118 129.6404 129.7089 129.8957 130.0677 130.1874 130.4724 130.5826 130.8994 130.9564 131.1866 131.5461 131.7392 131.8011 132.1508 132.2616 132.3916 132.6882 132.7673 132.9760 133.2241 133.6989 134.0732 134.1447 134.6738 134.7254 134.8283 135.1922 135.5312 136.2856 136.6068 136.7390 137.0627 137.5257 137.7864 137.9521 138.0316 138.1324 138.3255 138.7364 138.8638 139.2020 139.3172 139.6311 140.3255 140.9887 141.0223 141.0779 141.2883 141.7442 142.5262 142.7252 142.8511 143.6208 143.8359 143.8992 143.9971 144.0258 144.1208 144.2639 144.6341 145.0728 145.1087 145.3057 145.7855 145.8471 145.9898 146.2979 146.5593 146.8309 147.1101 147.3649 147.6140 147.9177 148.0623 148.2303 148.6236 148.8126 149.2204 149.4313 149.7735 149.9538 150.0489 150.4241 150.8692 151.1447 151.6028 152.0186 152.0623 152.3810 152.6686 153.2633 153.3637 154.2745 154.6084 154.7150 155.4409 155.7511 156.1437 156.3618 156.7587 156.9900 157.1911 157.2946 157.4237 158.3676 158.8333 159.0272 159.2676 159.4100 159.8855 160.2819 160.6378 161.4354 161.9201 162.0136 162.8623 163.3223 163.3840 164.2479 165.1827 167.3785 168.1222 168.7130 170.0280 172.0576 172.4274 172.7996 172.8209 174.5072 175.8495 177.3966 178.4395 179.1436 180.8306 182.2595 185.1414 185.6837 186.5219 187.2428 188.9545 189.6991 192.0540 192.5773 193.7487 195.7414 196.1388 198.6316 201.8853 204.5193 206.2444 206.5608 221.3067 221.6568 222.3633 222.8803 222.9011 223.4917 225.7018 225.9342 227.8671 229.3165 294.4632 294.7266 295.6662 297.0691 308.5238 313.3217 608.7323 618.2369 620.0519 625.4161 628.7157 630.5486 631.6522 632.3831 633.9984 634.1766 635.0197 635.1265 636.4751 636.6976 637.3519 639.1513 641.7558 643.6227 646.8013 650.0713 657.1174 658.0246 702.1334 708.0441 876.6018 1200.2064 1212.4928 1214.8411 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 -0.038458 -0.043216 -0.265012 -0.380274 -0.297349 -0.001487 0.071797 0.039782 -0.104405 -0.247701 -0.240781 -0.199578 0.361500 0.048938 0.314988 0.006436 -0.254194 -0.109951 -0.189249 0.202936 -0.093933 -0.190433 0.223869 -0.197003 -0.156300 -0.094474 -0.115360 -0.138394 0.088470 0.081082 0.103233 0.088355 0.089640 0.100077 0.093788 0.072989 0.098398 0.117790 0.124989 0.122807 0.129826 0.130267 0.126225 0.135705 0.127020 0.129746 0.126902 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 17.0385 17.0432 8.2650 8.3803 8.2973 7.0015 5.9282 5.9602 6.1044 6.2477 6.2408 6.1996 5.6385 5.9511 5.6850 5.9936 6.2542 6.1100 6.1892 5.7971 6.0939 6.1904 5.7761 6.1970 6.1563 6.0945 6.1154 6.1384 0.9115 0.9189 0.8968 0.9116 0.9104 0.8999 0.9062 0.9270 0.9016 0.8822 0.8750 0.8772 0.8702 0.8697 0.8738 0.8643 0.8730 0.8703 0.8731 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 -0.0385 -0.0432 -0.2650 -0.3803 -0.2973 -0.0015 0.0718 0.0398 -0.1044 -0.2477 -0.2408 -0.1996 0.3615 0.0489 0.3150 0.0064 -0.2542 -0.1100 -0.1892 0.2029 -0.0939 -0.1904 0.2239 -0.1970 -0.1563 -0.0945 -0.1154 -0.1384 0.0885 0.0811 0.1032 0.0884 0.0896 0.1001 0.0938 0.0730 0.0984 0.1178 0.1250 0.1228 0.1298 0.1303 0.1262 0.1357 0.1270 0.1297 0.1269 1.2889 1.2620 2.1345 2.1218 2.1109 3.1176 3.7446 3.8357 3.8862 3.9139 3.9104 3.9159 4.2265 4.2507 3.8370 3.6746 4.0257 3.8982 4.0409 3.8779 3.9465 4.0360 3.8201 4.0397 3.9512 3.9363 3.9493 3.9597 1.0479 1.0364 1.0217 1.0019 1.0010 1.0027 1.0045 1.0099 1.0297 1.0258 1.0187 1.0159 0.9993 1.0112 1.0131 1.0027 0.9989 0.9995 1.0001 1.2889 1.2620 2.1345 2.1218 2.1109 3.1176 3.7446 3.8357 3.8862 3.9139 3.9104 3.9159 4.2265 4.2507 3.8370 3.6746 4.0257 3.8982 4.0409 3.8779 3.9465 4.0360 3.8201 4.0397 3.9512 3.9363 3.9493 3.9597 1.0479 1.0364 1.0217 1.0019 1.0010 1.0027 1.0045 1.0099 1.0297 1.0258 1.0187 1.0159 0.9993 1.0112 1.0131 1.0027 0.9989 0.9995 1.0001 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1989 1.1565 1.1366 0.8635 1.9339 0.9985 0.9316 3.0578 0.9029 0.8645 0.9650 0.9567 0.9127 1.0201 0.9900 1.0444 1.0192 0.9830 0.9899 0.9885 0.9940 0.9890 0.9860 1.8671 0.9550 0.9119 0.9289 1.0025 1.3483 1.3984 1.3794 0.9446 1.4626 0.9640 1.4283 1.4361 0.9748 0.9686 1.4282 1.3751 1.4375 0.9702 1.4379 0.9619 1.4294 0.9735 1.4314 0.9713 0.9763 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 -0.022736347 -2050.684279732230 -12.12365 12.39261 0.26896 31.73645 -31.02975 0.70670 -13.58536 12.24658 -1.33878 1.53756 3.90817