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:2.2998,-3.8896,1.3487;2.936,-6.4846,.2581;-.7219,-1.0733,.5355;1.0706,-.3343,-.5801;-1.1505,4.667,-.9129;-2.3337,-.0935,3.2558;.3709,-2.8269,-2.399;1.5624,-3.0947,-1.5414;.299,-2.5799,-.8995;.4173,-1.6701,-3.3666;-.4476,-3.9958,-2.8932;2.0283,-4.4685,-1.2514;.2974,-1.2175,-.3341;2.3764,-4.89,-.0429;-.8676,.2124,1.1142;-1.521,1.1961,.1712;-1.6929,.0204,2.3094;-1.0103,2.4789,.073;-2.6319,.8195,-.5746;-1.6275,3.4021,-.7631;-3.2188,1.7394,-1.4268;-2.7284,3.0332,-1.5203;-.7728,5.3836,.1881;-1.4613,5.3131,1.3932;.3101,6.2385,.0438;-1.0487,6.1012,2.4566;.7037,7.0283,1.1126;.0326,6.9597,2.3246;2.3558,-2.3543,-1.6113;-.2964,-3.2965,-.3454;-.5814,-1.2635,-3.5348;.8005,-2.0131,-4.3291;1.055,-.8579,-3.0265;-.0324,-4.3921,-3.822;-1.4727,-3.6844,-3.0983;-.489,-4.8133,-2.1729;2.1239,-5.1681,-2.0735;.1033,.604,1.4362;-.131,2.7617,.6391;-3.0368,-.1806,-.4922;-4.0811,1.454,-2.0143;-3.1928,3.7582,-2.1754;-2.3142,4.6562,1.5052;.832,6.2837,-.9029;-1.5853,6.0444,3.3943;1.5472,7.6959,.9964;.3466,7.5731,3.158; 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 2723.8385123737 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.964e-06 Time for diagonalization 0.769 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.463 sec Total time needed 1.238 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:2.2998,-3.8896,1.3487;2.936,-6.4846,.2581;-.7219,-1.0733,.5355;1.0706,-.3343,-.5801;-1.1505,4.667,-.9129;-2.3337,-.0935,3.2558;.3709,-2.8269,-2.399;1.5624,-3.0947,-1.5414;.299,-2.5799,-.8995;.4173,-1.6701,-3.3666;-.4476,-3.9958,-2.8932;2.0283,-4.4685,-1.2514;.2974,-1.2175,-.3341;2.3764,-4.89,-.0429;-.8676,.2124,1.1142;-1.521,1.1961,.1712;-1.6929,.0204,2.3094;-1.0103,2.4789,.073;-2.6319,.8195,-.5746;-1.6275,3.4021,-.7631;-3.2188,1.7394,-1.4268;-2.7284,3.0332,-1.5203;-.7728,5.3836,.1881;-1.4613,5.3131,1.3932;.3101,6.2385,.0438;-1.0487,6.1012,2.4566;.7037,7.0283,1.1126;.0326,6.9597,2.3246;2.3558,-2.3543,-1.6113;-.2964,-3.2965,-.3454;-.5814,-1.2635,-3.5348;.8005,-2.0131,-4.3291;1.055,-.8579,-3.0265;-.0324,-4.3921,-3.822;-1.4727,-3.6844,-3.0983;-.489,-4.8133,-2.1729;2.1239,-5.1681,-2.0735;.1033,.604,1.4362;-.131,2.7617,.6391;-3.0368,-.1806,-.4922;-4.0811,1.454,-2.0143;-3.1928,3.7582,-2.1754;-2.3142,4.6562,1.5052;.832,6.2837,-.9029;-1.5853,6.0444,3.3943;1.5472,7.6959,.9964;.3466,7.5731,3.158; 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:2.2998,-3.8896,1.3487;2.936,-6.4846,.2581;-.7219,-1.0733,.5355;1.0706,-.3343,-.5801;-1.1505,4.667,-.9129;-2.3337,-.0935,3.2558;.3709,-2.8269,-2.399;1.5624,-3.0947,-1.5414;.299,-2.5799,-.8995;.4173,-1.6701,-3.3666;-.4476,-3.9958,-2.8932;2.0283,-4.4685,-1.2514;.2974,-1.2175,-.3341;2.3764,-4.89,-.0429;-.8676,.2124,1.1142;-1.521,1.1961,.1712;-1.6929,.0204,2.3094;-1.0103,2.4789,.073;-2.6319,.8195,-.5746;-1.6275,3.4021,-.7631;-3.2188,1.7394,-1.4268;-2.7284,3.0332,-1.5203;-.7728,5.3836,.1881;-1.4613,5.3131,1.3932;.3101,6.2385,.0438;-1.0487,6.1012,2.4566;.7037,7.0283,1.1126;.0326,6.9597,2.3246;2.3558,-2.3543,-1.6113;-.2964,-3.2965,-.3454;-.5814,-1.2635,-3.5348;.8005,-2.0131,-4.3291;1.055,-.8579,-3.0265;-.0324,-4.3921,-3.822;-1.4727,-3.6844,-3.0983;-.489,-4.8133,-2.1729;2.1239,-5.1681,-2.0735;.1033,.604,1.4362;-.131,2.7617,.6391;-3.0368,-.1806,-.4922;-4.0811,1.454,-2.0143;-3.1928,3.7582,-2.1754;-2.3142,4.6562,1.5052;.832,6.2837,-.9029;-1.5853,6.0444,3.3943;1.5472,7.6959,.9964;.3466,7.5731,3.158; -2050.65915060 2723.83851237 -4774.49766297 -8223.07274454 3448.57508157 -4095.20025476 2044.54110416 2.00299238 108.000109416392 108.000109416392 216.000218832783 -151.871298918638 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 -2765.7891 -2765.7532 -525.3072 -524.7217 -523.4150 -392.7203 -283.7179 -283.0862 -283.0092 -281.8687 -281.6620 -280.9410 -280.9180 -280.7340 -280.6329 -280.5898 -280.5720 -280.2714 -280.2555 -280.1484 -280.1165 -279.9905 -279.9828 -279.9178 -279.8790 -279.8629 -279.7886 -279.6504 -261.0576 -261.0216 -199.9004 -199.8665 -199.6558 -199.6424 -199.6149 -199.6088 -34.2473 -33.1476 -31.6426 -28.6783 -28.2228 -27.9198 -27.3762 -26.7989 -26.1642 -25.5375 -24.3508 -24.3348 -23.9389 -23.8139 -23.4188 -23.1231 -22.4100 -21.4471 -20.8217 -20.2411 -19.8793 -19.6375 -19.2702 -18.5646 -18.1503 -18.0790 -17.7102 -17.3414 -17.2384 -16.7128 -16.4116 -16.3281 -16.1328 -16.0327 -15.9604 -15.9098 -15.3507 -15.0739 -15.0017 -14.8806 -14.5647 -14.4587 -14.2618 -14.1802 -14.0410 -14.0232 -13.8497 -13.5743 -13.4438 -13.2033 -13.1426 -13.1305 -12.9302 -12.8037 -12.6372 -12.5019 -12.3551 -12.1971 -12.1757 -12.1070 -11.8586 -11.8465 -11.4702 -11.3669 -11.0357 -10.8420 -10.6113 -9.8787 -9.5860 -9.5123 -9.4293 -8.6104 0.8678 1.1515 1.2119 1.6284 1.8719 1.9228 2.4111 2.5736 2.7729 3.0085 3.3138 3.3992 3.6177 3.6752 3.7481 3.8990 4.0981 4.1968 4.2829 4.4846 4.5237 4.6798 4.8179 4.9027 4.9255 5.1904 5.2394 5.3717 5.4295 5.6789 5.7826 5.9221 5.9825 6.0646 6.1863 6.2183 6.3148 6.5587 6.7640 6.9455 6.9777 7.0920 7.2675 7.4824 7.5088 7.5563 7.6806 7.7060 7.8141 7.9289 8.0050 8.0542 8.1246 8.2393 8.3531 8.4166 8.5814 8.6542 8.7799 8.8242 9.0102 9.1005 9.1333 9.2568 9.2934 9.3881 9.4838 9.6072 9.7617 9.8232 9.9528 10.0647 10.1310 10.1638 10.2015 10.4605 10.5578 10.6319 10.7240 10.7896 10.9520 11.1410 11.1568 11.2597 11.3195 11.3863 11.5631 11.6371 11.6842 11.7884 11.8185 11.9156 12.0341 12.1091 12.2056 12.2322 12.4152 12.5292 12.6132 12.7360 12.7739 12.8213 12.9194 13.0040 13.1814 13.2503 13.3294 13.3748 13.4334 13.5753 13.6463 13.7018 13.7925 13.9596 14.0292 14.0677 14.0932 14.2165 14.2285 14.3054 14.3945 14.5203 14.5477 14.6626 14.7868 14.8291 14.9477 15.0276 15.0833 15.1584 15.2914 15.3508 15.5901 15.6765 15.7345 15.8504 15.8887 15.9336 16.1146 16.1194 16.2428 16.3298 16.4238 16.5309 16.6586 16.8242 17.1132 17.1318 17.2534 17.4150 17.5361 17.6212 17.6839 17.8151 17.9988 18.0778 18.2609 18.4843 18.5649 18.8272 18.8296 18.9455 19.0834 19.3871 19.5270 19.6483 19.8236 19.8688 19.9328 20.0233 20.3121 20.3379 20.4492 20.5913 20.6847 20.8702 20.9159 21.1020 21.1102 21.1694 21.3139 21.4014 21.5888 21.6123 21.7167 21.8662 21.9362 22.0202 22.6352 22.7066 22.7666 22.8485 23.0653 23.0924 23.2639 23.3766 23.5217 23.7495 23.8234 23.9018 24.0721 24.0967 24.2583 24.4405 24.6923 24.7996 24.9367 25.1281 25.2326 25.4654 25.5764 25.7913 26.0091 26.2940 26.3773 26.5575 26.6755 26.7812 26.7888 26.9783 27.1661 27.2524 27.2980 27.5106 27.5507 27.9016 27.9464 28.0398 28.3027 28.4896 28.4947 28.8262 28.8973 28.9958 29.0562 29.1982 29.2251 29.3243 29.4544 29.4916 29.7112 29.8530 29.9624 30.0617 30.3172 30.3303 30.5676 30.8204 30.9077 30.9688 31.0848 31.2025 31.4869 31.6900 31.7615 31.8584 32.0601 32.1843 32.3677 32.5047 32.5817 32.8663 32.9429 32.9761 33.0286 33.2176 33.3717 33.4754 33.6685 33.6915 33.9065 33.9376 33.9961 34.2187 34.3726 34.4801 34.8070 34.8812 35.0422 35.1684 35.3299 35.3813 35.5079 35.7520 35.9509 36.1220 36.2051 36.4507 36.5853 36.7288 36.8728 37.0543 37.1313 37.2123 37.2811 37.3935 37.5766 37.8056 37.9015 37.9730 38.0221 38.0689 38.2562 38.4212 38.5449 38.5814 38.6984 38.7304 38.8655 39.0777 39.1885 39.1943 39.4706 39.6761 39.8226 39.9709 40.1229 40.2541 40.3942 40.6036 40.6546 40.6823 41.0282 41.2244 41.2604 41.4825 41.6136 41.7272 41.7880 42.0159 42.0322 42.2116 42.3107 42.4713 42.6307 42.6420 42.8295 43.0251 43.1499 43.3327 43.4968 43.6206 43.7566 43.8577 43.9822 44.1222 44.2056 44.4112 44.4635 44.5056 44.7686 44.9716 45.1178 45.2075 45.3511 45.5812 45.6653 45.8292 46.0636 46.1134 46.2100 46.3550 46.6011 46.8178 46.8472 46.9332 47.1135 47.3287 47.5422 47.5743 47.8229 48.0971 48.1725 48.3693 48.4053 48.5724 48.7610 49.1221 49.3011 49.4166 49.4489 49.8091 50.0569 50.1998 50.3847 50.4199 50.5657 50.7395 50.8095 50.9172 51.2275 51.3417 51.6121 51.6326 51.9607 52.0059 52.1468 52.2567 52.4746 52.6261 52.6734 52.7702 53.0076 53.3457 53.4881 53.7846 53.9183 54.1926 54.4547 54.6062 54.7850 54.8972 55.0553 55.1816 55.7806 55.9232 56.0519 56.1284 56.3695 56.4504 56.7912 56.8688 56.9119 56.9552 57.1344 57.2306 57.3970 57.7719 57.8452 58.0955 58.4066 58.8214 58.8255 58.9722 59.0929 59.3035 59.3778 59.4909 59.7247 59.8038 59.9106 60.1683 60.3038 60.4747 60.8035 61.2658 61.5477 61.6344 61.6733 62.1531 62.3647 62.6930 62.8957 62.9824 63.2051 63.3842 63.4764 63.6061 63.8920 63.9978 64.2755 64.3698 64.5256 64.6400 64.8573 65.1347 65.2051 65.4702 65.6905 65.9505 65.9807 66.2805 66.4703 66.6771 66.9771 67.0581 67.2113 67.3288 67.4142 67.6222 67.6688 67.9865 68.2569 68.3226 68.5176 68.7861 68.9116 69.0499 69.4163 69.6833 69.9246 70.2865 70.6723 71.0310 71.2258 71.4939 71.7572 71.8167 72.0627 72.1885 72.6188 72.9751 73.3406 73.5158 73.7497 73.8716 73.9829 74.4234 74.6353 74.7961 74.9822 75.0785 75.3599 75.5775 75.8692 75.9195 76.1529 76.2536 76.4004 76.5505 76.6361 76.9697 77.0580 77.2769 77.5092 77.5491 77.7088 77.8651 78.0318 78.1843 78.2431 78.4798 78.5637 78.7397 78.8360 78.9456 79.1093 79.2530 79.3930 79.5650 79.6486 79.7467 79.9744 80.0880 80.1683 80.4867 80.5305 80.6270 80.7978 80.8265 81.2186 81.3998 81.4635 81.5619 81.7945 81.8689 82.0441 82.0949 82.2907 82.3674 82.4002 82.5137 82.7692 82.9890 83.0906 83.1581 83.2913 83.6863 83.7729 83.9707 84.0362 84.2011 84.3372 84.4551 84.7044 84.7471 84.7632 84.9809 85.0707 85.2210 85.3180 85.4191 85.5006 85.6824 85.7370 85.8648 85.9727 86.0604 86.1548 86.2337 86.3597 86.4432 86.6041 86.8148 87.0233 87.0494 87.4816 87.5105 87.6978 87.7973 88.0734 88.1789 88.3532 88.5172 88.5700 88.6098 88.6712 88.7835 88.9753 89.0601 89.1201 89.2356 89.2925 89.4179 89.5297 89.7567 89.9733 90.0555 90.1390 90.1460 90.4350 90.5282 90.7252 90.7846 90.8782 90.9786 91.1867 91.4118 91.5190 91.7769 91.8654 91.9769 92.2150 92.3958 92.5132 92.5776 92.6973 92.8189 92.9209 93.0226 93.1710 93.2563 93.3282 93.3486 93.5473 93.5607 93.6269 93.7498 94.0222 94.2182 94.3190 94.4421 94.6330 94.9169 94.9654 95.0175 95.1912 95.2598 95.2858 95.5271 95.6091 95.8636 95.8967 96.1641 96.2256 96.3441 96.5332 96.5897 96.6759 96.9145 97.0688 97.1570 97.3295 97.3309 97.4586 97.7011 97.8157 97.8967 98.0010 98.1988 98.3536 98.4254 98.5321 98.7403 98.8572 99.0247 99.1684 99.4881 99.6306 99.8700 99.9694 100.2487 100.3827 100.6509 100.7007 100.9291 101.1597 101.4548 101.5870 101.8881 102.0915 102.1478 102.2794 102.4790 102.6223 102.9971 103.2157 103.5067 103.7163 103.9687 104.1310 104.3933 104.5648 104.6042 104.8050 104.9864 105.1448 105.2351 105.3106 105.4464 105.5881 105.6432 105.8023 105.8668 106.0384 106.0950 106.2582 106.3965 106.4169 106.8302 106.8638 107.0563 107.1583 107.2689 107.3575 107.5322 107.7420 107.9879 108.1041 108.2347 108.4283 108.6953 108.8145 109.0193 109.2163 109.5794 109.8906 109.9490 110.0493 110.2230 110.4474 110.6209 110.6653 110.7806 110.9136 111.0101 111.1534 111.3363 111.5193 111.9525 112.1003 112.1977 112.3145 112.4363 112.7228 112.9142 112.9832 113.1462 113.3466 113.4742 113.7047 113.8658 113.9748 114.1534 114.2678 114.4679 114.7985 114.9621 115.0397 115.1111 115.2571 115.4431 115.7557 116.0112 116.0609 116.1089 116.2696 116.3088 116.7035 116.7477 116.9803 117.0315 117.1442 117.3824 117.4795 117.5794 117.6553 117.8616 117.9451 117.9937 118.1715 118.3808 118.5170 118.5182 118.8007 118.8555 119.1528 119.2884 119.3533 119.7467 119.9536 119.9988 120.1392 120.2632 120.4801 120.6241 120.8918 120.9386 121.3101 121.5526 121.6967 121.7593 122.0319 122.0868 122.4283 122.5927 122.7047 122.9127 123.4200 123.5046 123.9459 124.3359 124.7499 125.0676 125.3235 125.5250 125.6613 126.1176 126.3062 126.5045 126.8567 127.0553 127.4039 127.7321 127.8633 128.0020 128.2172 128.4855 128.9258 129.0227 129.0379 129.2575 129.5972 129.7789 129.8880 130.0056 130.0996 130.4448 130.5132 130.6187 131.0724 131.1766 131.4141 131.6250 131.8017 131.9132 132.1450 132.4091 132.7406 132.8563 132.9769 133.1786 133.6252 133.7453 133.8713 133.9693 134.3369 134.7256 135.0393 135.1188 135.5339 135.7580 136.1233 136.4982 137.0660 137.3026 137.7173 137.8707 138.0175 138.1152 138.3900 138.5090 138.8673 139.1245 139.3585 140.0609 140.1096 140.7684 141.0976 141.1520 141.5097 141.7894 142.3577 142.7961 143.3754 143.5375 143.7325 144.0293 144.1126 144.1757 144.2292 144.3367 144.6125 144.9901 145.2937 145.3748 145.5251 145.8077 145.9913 146.1276 146.7204 146.9526 147.3401 147.5575 147.7347 147.9492 148.2334 148.2418 148.3626 148.8896 149.0802 149.5163 149.6240 149.8307 150.1323 150.2646 150.6325 150.9719 151.5884 151.7937 152.0911 152.3180 152.5986 152.9410 153.5500 153.8003 154.3363 154.6384 154.8434 155.5893 155.6488 155.8499 156.2232 156.7199 156.8138 157.1652 157.1858 157.9737 158.5006 158.9494 159.0618 159.1951 159.5860 160.2872 160.5507 161.1135 161.2461 161.7816 162.1725 162.5186 163.4782 164.1459 165.6585 166.8347 167.9367 169.2078 170.3040 171.4478 172.3337 173.0773 173.2338 174.5820 175.7374 177.6796 178.4669 179.0447 180.6119 182.2489 185.1961 186.4327 186.8019 187.3980 189.1528 189.6738 192.1728 192.4562 193.3173 195.6128 196.4901 198.9203 202.0462 205.0690 206.2798 206.7362 221.2839 222.0871 222.3342 222.9305 223.2748 223.7261 225.7626 226.0889 228.0858 229.4797 294.5496 294.8703 295.8410 298.2712 308.6855 313.2861 607.2961 618.0359 620.7155 625.3325 629.9061 630.7629 631.7892 632.4477 633.9484 634.0050 634.1934 635.1816 636.6008 636.7620 637.4830 639.7405 642.2452 642.9076 647.2926 650.2231 657.2578 658.1093 704.1627 709.3939 876.4998 1200.4337 1212.3235 1214.8308 -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 -0.029999 -0.038662 -0.264139 -0.364628 -0.298851 -0.000348 0.112596 -0.013010 -0.158146 -0.244874 -0.269056 -0.249561 0.350409 0.093462 0.310033 0.063075 -0.251802 -0.137439 -0.202243 0.193313 -0.095763 -0.180540 0.235945 -0.157656 -0.209869 -0.118620 -0.089164 -0.145998 0.109994 0.108613 0.087726 0.087180 0.102593 0.094057 0.095324 0.089118 0.119410 0.120533 0.116680 0.126360 0.129029 0.130243 0.134858 0.126421 0.130411 0.126150 0.126834 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 17.0300 17.0387 8.2641 8.3646 8.2989 7.0003 5.8874 6.0130 6.1581 6.2449 6.2691 6.2496 5.6496 5.9065 5.6900 5.9369 6.2518 6.1374 6.2022 5.8067 6.0958 6.1805 5.7641 6.1577 6.2099 6.1186 6.0892 6.1460 0.8900 0.8914 0.9123 0.9128 0.8974 0.9059 0.9047 0.9109 0.8806 0.8795 0.8833 0.8736 0.8710 0.8698 0.8651 0.8736 0.8696 0.8739 0.8732 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 -0.0300 -0.0387 -0.2641 -0.3646 -0.2989 -0.0003 0.1126 -0.0130 -0.1581 -0.2449 -0.2691 -0.2496 0.3504 0.0935 0.3100 0.0631 -0.2518 -0.1374 -0.2022 0.1933 -0.0958 -0.1805 0.2359 -0.1577 -0.2099 -0.1186 -0.0892 -0.1460 0.1100 0.1086 0.0877 0.0872 0.1026 0.0941 0.0953 0.0891 0.1194 0.1205 0.1167 0.1264 0.1290 0.1302 0.1349 0.1264 0.1304 0.1261 0.1268 1.3028 1.2675 2.1175 2.1408 2.1088 3.1218 3.7363 3.8395 3.8714 3.9010 3.9134 3.9124 4.1935 4.2039 3.8412 3.6278 4.0189 3.9839 4.0121 3.8896 3.9391 4.0333 3.8079 3.9282 4.0348 3.9567 3.9344 3.9622 1.0263 1.0241 1.0034 1.0029 1.0197 1.0013 1.0065 1.0006 1.0167 1.0225 1.0141 1.0188 0.9991 1.0101 1.0039 1.0137 0.9994 0.9986 1.0002 1.3028 1.2675 2.1175 2.1408 2.1088 3.1218 3.7363 3.8395 3.8714 3.9010 3.9134 3.9124 4.1935 4.2039 3.8412 3.6278 4.0189 3.9839 4.0121 3.8896 3.9391 4.0333 3.8079 3.9282 4.0348 3.9567 3.9344 3.9622 1.0263 1.0241 1.0034 1.0029 1.0197 1.0013 1.0065 1.0006 1.0167 1.0225 1.0141 1.0188 0.9991 1.0101 1.0039 1.0137 0.9994 0.9986 1.0002 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 1.2066 1.1511 1.1181 0.8796 1.9681 0.9679 0.9578 3.0594 0.9586 0.8408 0.9636 0.9301 0.9271 0.9744 0.9958 1.0072 1.0227 0.9911 0.9905 0.9826 0.9958 0.9897 0.9889 1.8704 0.9762 0.8908 0.9316 1.0050 1.3798 1.3601 1.3999 0.9425 1.4582 0.9751 1.4370 1.4289 0.9748 0.9682 1.3620 1.4164 1.4360 0.9623 1.4469 0.9711 1.4374 0.9707 1.4233 0.9750 0.9771 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 -0.024294444 -2050.683445042280 -14.76042 14.85070 0.09027 26.04510 -26.00161 0.04348 -19.43147 17.84194 -1.58952 1.59268 4.04826