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:-3.7133,3.7332,-2.8028;-3.5879,6.2539,-1.4032;.6081,.9936,1.4221;-.8164,.2386,-.1281;1.6334,-4.3804,-.755;1.8676,-.1769,4.25;.291,2.8572,-1.5457;-1.1557,2.9937,-1.1608;-.1533,2.5407,-.1292;.6726,1.7442,-2.4914;1.1333,4.0983,-1.715;-1.7991,4.3073,-1.0048;-.1923,1.144,.3486;-2.8873,4.7046,-1.6528;.7739,-.3391,1.8828;1.6467,-1.1533,.9555;1.3868,-.2279,3.2083;1.2207,-2.4035,.5437;2.8624,-.6421,.5149;2.0247,-3.1592,-.3016;3.6422,-1.3939,-.347;3.2332,-2.6551,-.7545;1.131,-5.294,.1294;1.6398,-5.4358,1.4145;.1151,-6.1233,-.323;1.1166,-6.4132,2.2467;-.3913,-7.1021,.5178;.1015,-7.2492,1.806;-1.7977,2.2058,-1.539;.1533,3.263,.6199;.6294,2.1077,-3.5191;.017,.8798,-2.4193;1.6933,1.406,-2.3018;2.1915,3.8563,-1.6062;.9003,4.8765,-.9891;.9889,4.523,-2.7094;-1.3664,5.014,-.307;-.1968,-.832,2.0021;.2615,-2.7888,.8676;3.2003,.3328,.8419;4.5885,-1.0032,-.6959;3.8442,-3.2506,-1.4198;2.4405,-4.7976,1.7655;-.2682,-6.0003,-1.3272;1.5149,-6.5232,3.2466;-1.1825,-7.7489,.1626;-.3,-8.0108,2.4603; 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 2689.7654936115 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 6.750e-06 Time for diagonalization 0.563 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.525 sec Total time needed 1.100 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:-3.7133,3.7332,-2.8028;-3.5879,6.2539,-1.4032;.6081,.9936,1.4221;-.8164,.2386,-.1281;1.6334,-4.3804,-.755;1.8676,-.1769,4.25;.291,2.8572,-1.5457;-1.1557,2.9937,-1.1608;-.1533,2.5407,-.1292;.6726,1.7442,-2.4914;1.1333,4.0983,-1.715;-1.7991,4.3073,-1.0048;-.1923,1.144,.3486;-2.8873,4.7046,-1.6528;.7739,-.3391,1.8828;1.6467,-1.1533,.9555;1.3868,-.2279,3.2083;1.2207,-2.4035,.5437;2.8624,-.6421,.5149;2.0247,-3.1592,-.3016;3.6422,-1.3939,-.347;3.2332,-2.6551,-.7545;1.131,-5.294,.1294;1.6398,-5.4358,1.4145;.1151,-6.1233,-.323;1.1166,-6.4132,2.2467;-.3913,-7.1021,.5178;.1015,-7.2492,1.806;-1.7977,2.2058,-1.539;.1533,3.263,.6199;.6294,2.1077,-3.5191;.017,.8798,-2.4193;1.6933,1.406,-2.3018;2.1915,3.8563,-1.6062;.9003,4.8765,-.9891;.9889,4.523,-2.7094;-1.3664,5.014,-.307;-.1968,-.832,2.0021;.2615,-2.7888,.8676;3.2003,.3328,.8419;4.5885,-1.0032,-.6959;3.8442,-3.2506,-1.4198;2.4405,-4.7976,1.7655;-.2682,-6.0003,-1.3272;1.5149,-6.5232,3.2466;-1.1825,-7.7489,.1626;-.3,-8.0108,2.4603; 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:-3.7133,3.7332,-2.8028;-3.5879,6.2539,-1.4032;.6081,.9936,1.4221;-.8164,.2386,-.1281;1.6334,-4.3804,-.755;1.8676,-.1769,4.25;.291,2.8572,-1.5457;-1.1557,2.9937,-1.1608;-.1533,2.5407,-.1292;.6726,1.7442,-2.4914;1.1333,4.0983,-1.715;-1.7991,4.3073,-1.0048;-.1923,1.144,.3486;-2.8873,4.7046,-1.6528;.7739,-.3391,1.8828;1.6467,-1.1533,.9555;1.3868,-.2279,3.2083;1.2207,-2.4035,.5437;2.8624,-.6421,.5149;2.0247,-3.1592,-.3016;3.6422,-1.3939,-.347;3.2332,-2.6551,-.7545;1.131,-5.294,.1294;1.6398,-5.4358,1.4145;.1151,-6.1233,-.323;1.1166,-6.4132,2.2467;-.3913,-7.1021,.5178;.1015,-7.2492,1.806;-1.7977,2.2058,-1.539;.1533,3.263,.6199;.6294,2.1077,-3.5191;.017,.8798,-2.4193;1.6933,1.406,-2.3018;2.1915,3.8563,-1.6062;.9003,4.8765,-.9891;.9889,4.523,-2.7094;-1.3664,5.014,-.307;-.1968,-.832,2.0021;.2615,-2.7888,.8676;3.2003,.3328,.8419;4.5885,-1.0032,-.6959;3.8442,-3.2506,-1.4198;2.4405,-4.7976,1.7655;-.2682,-6.0003,-1.3272;1.5149,-6.5232,3.2466;-1.1825,-7.7489,.1626;-.3,-8.0108,2.4603; -2050.66036896 2689.76549361 -4740.42586257 -8154.70499787 3414.27913530 -4095.19962329 2044.53925433 2.00299388 108.000022116307 108.000022116307 216.000044232615 -151.870965373088 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 -2765.7387 -2765.6892 -525.3918 -524.7395 -523.5064 -392.7950 -283.8042 -283.0895 -282.9956 -281.8981 -281.6853 -281.0132 -281.0012 -280.7847 -280.6896 -280.6560 -280.6133 -280.3227 -280.3044 -280.2146 -280.1707 -280.0156 -280.0063 -279.9420 -279.8923 -279.8875 -279.8126 -279.6798 -261.0069 -260.9569 -199.8499 -199.8022 -199.6029 -199.5937 -199.5494 -199.5448 -34.3316 -33.1750 -31.7303 -28.5963 -28.2982 -27.9806 -27.4268 -26.8266 -26.1035 -25.5931 -24.3832 -24.3578 -23.9854 -23.8419 -23.4710 -23.1725 -22.4360 -21.4784 -20.8547 -20.2799 -19.9091 -19.6195 -19.2622 -18.6298 -18.4740 -18.1546 -17.6543 -17.3850 -17.1775 -16.7652 -16.4708 -16.4349 -16.2065 -16.0640 -15.9682 -15.6906 -15.3138 -15.1408 -15.0276 -14.9069 -14.6399 -14.5027 -14.2927 -14.2229 -14.1106 -14.0154 -13.8543 -13.6418 -13.4878 -13.2166 -13.1873 -13.1684 -12.9720 -12.8711 -12.6636 -12.5148 -12.3967 -12.2544 -12.1886 -12.0559 -11.8832 -11.7911 -11.6023 -11.5365 -11.2765 -10.9519 -10.6626 -9.9211 -9.6267 -9.5377 -9.1236 -8.6577 0.7925 1.1242 1.3057 1.5962 1.8103 1.8599 2.4234 2.5519 2.6743 2.9227 3.0585 3.3227 3.5966 3.6754 3.9116 3.9664 4.2264 4.2495 4.4103 4.4699 4.5200 4.7267 4.8281 4.8612 4.9088 5.1849 5.2101 5.3486 5.4551 5.5495 5.7391 5.8356 5.9135 6.0319 6.1246 6.2424 6.3632 6.5515 6.7187 6.7861 7.0108 7.1149 7.2597 7.3484 7.3970 7.5354 7.6906 7.7071 7.8245 7.8462 7.9498 8.0056 8.1297 8.2020 8.3079 8.3519 8.5766 8.6258 8.6958 8.8247 8.9503 9.0592 9.1752 9.2739 9.3492 9.4539 9.5577 9.6151 9.7267 9.9003 10.0145 10.0284 10.1603 10.2209 10.3622 10.4504 10.5378 10.6468 10.7977 10.9307 10.9827 11.0526 11.1825 11.2630 11.3151 11.4078 11.5478 11.6091 11.7055 11.7726 11.8679 11.9617 12.0123 12.1611 12.2182 12.2717 12.4723 12.4838 12.6066 12.6733 12.7233 12.8031 12.8682 12.9041 13.0247 13.1509 13.2220 13.3955 13.4782 13.5463 13.6284 13.6305 13.6914 13.7818 13.8893 13.9683 14.0895 14.1672 14.2189 14.3855 14.3880 14.5177 14.5617 14.6708 14.7441 14.8228 14.9447 15.1250 15.1379 15.2797 15.3776 15.5051 15.5433 15.6735 15.7239 15.8359 15.8953 15.9363 16.0701 16.2856 16.3279 16.3768 16.4021 16.5829 16.7214 16.8615 16.9504 17.1022 17.1565 17.3121 17.4741 17.5224 17.8958 17.9104 17.9741 18.1179 18.2547 18.3488 18.4715 18.6582 18.7215 18.9161 19.1458 19.2987 19.5388 19.5737 19.6119 19.8747 19.8879 19.9196 20.3323 20.4082 20.4986 20.6456 20.7320 20.7821 20.9366 20.9908 21.1468 21.2135 21.2703 21.3403 21.4371 21.5951 21.7147 21.7626 22.0278 22.2434 22.4284 22.5884 22.6995 22.8092 22.9268 23.0201 23.2334 23.3362 23.4236 23.6480 23.7589 23.9186 24.0099 24.1198 24.1589 24.4177 24.5052 24.6269 24.7528 24.9371 25.0538 25.3298 25.4073 25.5943 25.7280 26.2141 26.3321 26.4407 26.6158 26.7232 26.7593 27.0085 27.0921 27.1595 27.2063 27.3959 27.5051 27.7590 27.9217 28.0818 28.1857 28.3135 28.4369 28.6239 28.8038 28.8548 29.0088 29.0959 29.2583 29.3144 29.5637 29.6747 29.8673 29.9103 30.0247 30.2249 30.3338 30.3631 30.5091 30.7093 30.7845 30.8745 31.2179 31.2642 31.4062 31.6208 31.7839 31.9424 32.0946 32.2203 32.2578 32.3861 32.5388 32.6607 32.7274 32.9861 33.0722 33.3221 33.5120 33.5715 33.6329 33.6689 33.7671 34.1367 34.1678 34.3428 34.5615 34.6416 34.8305 35.0266 35.1930 35.2703 35.3584 35.3790 35.5463 35.7302 35.9353 36.1236 36.2058 36.3143 36.4849 36.5643 36.6544 36.8223 36.9322 37.1763 37.3192 37.3658 37.4414 37.5706 37.6683 37.9077 37.9870 38.1358 38.3032 38.4118 38.4443 38.6432 38.6644 38.7505 38.9575 39.0742 39.1149 39.3284 39.4003 39.6371 39.8503 39.9003 40.1674 40.2818 40.3914 40.5942 40.6389 40.7609 40.8401 40.9797 41.1120 41.2940 41.4894 41.5726 41.8409 41.8768 42.1282 42.2504 42.2948 42.4736 42.5953 42.9349 42.9844 43.1220 43.2615 43.4578 43.5843 43.6926 43.7753 43.7995 44.1032 44.1647 44.2343 44.3848 44.4824 44.8043 44.8541 45.0191 45.2212 45.2378 45.4085 45.5133 45.6388 45.8198 45.8829 46.2136 46.2556 46.5579 46.6462 46.7671 46.8387 46.9466 47.4681 47.5257 47.7033 47.8540 47.9351 48.1484 48.3376 48.4302 48.4900 48.6828 48.8052 49.1201 49.2438 49.4202 49.5667 49.8226 49.9324 50.0698 50.3009 50.4496 50.6395 50.7470 50.7833 50.9942 51.2356 51.4217 51.5225 51.6140 51.7922 52.0501 52.1681 52.3151 52.3901 52.4410 52.6001 52.8697 52.9406 53.0391 53.2248 53.5010 53.7513 54.1773 54.4701 54.7025 54.8553 54.9473 55.0765 55.6457 55.9361 56.0043 56.0363 56.3266 56.5736 56.6157 56.7876 56.9501 56.9920 57.0242 57.1056 57.4804 57.7909 57.9364 58.1047 58.1732 58.3032 58.6005 58.8065 58.9215 59.0705 59.1313 59.4077 59.5596 59.6656 59.7333 59.7533 59.9811 60.0191 60.6719 60.7015 60.8532 61.3249 61.5965 61.6659 62.0080 62.1148 62.4482 62.8774 62.9354 63.0649 63.1644 63.3093 63.3970 63.6402 63.8345 64.0851 64.3511 64.4318 64.6304 64.7478 65.1441 65.1595 65.2383 65.6256 65.7054 65.9281 65.9767 66.0643 66.2469 66.4204 66.9644 67.1732 67.4241 67.5221 67.6325 67.8043 67.9307 68.0874 68.3447 68.7650 68.9039 69.0802 69.2144 69.4912 69.6093 69.8945 70.3289 70.4824 71.1813 71.3095 71.6406 71.8008 72.0346 72.1092 72.3843 72.7047 73.2291 73.3417 73.6685 73.7284 73.9326 74.0970 74.3509 74.5501 74.7855 74.8798 75.0811 75.1841 75.5447 75.7698 75.8789 76.0916 76.2446 76.5128 76.5314 76.6305 76.8855 77.0921 77.2389 77.4726 77.5564 77.6637 77.8646 77.8992 78.1663 78.3981 78.5129 78.6039 78.7079 78.7597 78.9479 79.0255 79.2337 79.2893 79.4375 79.5468 79.6217 79.6848 79.9690 80.0095 80.1369 80.3511 80.4382 80.5840 80.8116 81.0164 81.1197 81.3962 81.5403 81.7749 81.8045 81.9291 82.0546 82.1377 82.2686 82.2817 82.3730 82.4630 82.9502 83.1088 83.2704 83.3978 83.5823 83.6335 83.9929 84.0598 84.1473 84.3048 84.4235 84.4698 84.6333 84.7621 84.8533 84.9284 85.2130 85.2872 85.3179 85.3983 85.5508 85.5847 85.7348 85.8675 85.9722 86.0557 86.1250 86.3436 86.5193 86.5389 86.8045 86.9272 87.0476 87.3938 87.5049 87.7133 87.7541 87.7905 88.0520 88.1268 88.3612 88.4799 88.5442 88.6309 88.7312 88.8675 89.0257 89.1428 89.2701 89.3253 89.5666 89.5963 89.7214 89.8122 89.9341 90.1315 90.1697 90.3513 90.3976 90.5854 90.7958 90.8796 91.1022 91.2838 91.3793 91.5338 91.6429 91.8966 91.9819 92.1777 92.3592 92.4779 92.5229 92.6512 92.6592 92.7955 92.9303 93.1219 93.2333 93.2656 93.3816 93.4542 93.6091 93.6659 93.7669 93.8547 94.0237 94.1005 94.5188 94.6706 94.6953 94.8596 94.9538 95.0277 95.1310 95.1899 95.3211 95.3826 95.6264 95.9097 96.1524 96.2511 96.5148 96.6188 96.7304 96.8128 96.9724 97.0415 97.1234 97.1979 97.4301 97.5061 97.5793 97.6616 98.0557 98.0985 98.1286 98.3042 98.3352 98.5410 98.7715 98.8778 98.9761 99.0687 99.3716 99.6917 99.9068 100.0442 100.2933 100.3635 100.5836 100.7816 101.0182 101.0884 101.4665 101.6174 101.9377 102.0969 102.2806 102.3805 102.5032 102.7696 102.9462 103.0352 103.7061 103.7490 103.8998 104.1956 104.4143 104.4951 104.6160 104.7973 104.9257 105.0074 105.2135 105.3076 105.4617 105.4868 105.5531 105.7581 105.8976 105.9366 106.2577 106.2711 106.4309 106.4531 106.7988 106.8310 106.8934 107.0383 107.2055 107.3127 107.3474 107.7019 107.7492 108.0105 108.1776 108.6417 108.6601 109.0217 109.1893 109.2591 109.6567 109.8309 109.9995 110.0683 110.1403 110.3187 110.4862 110.5305 110.6106 110.7475 110.8709 110.9662 111.1124 111.2349 111.5184 111.8258 112.1550 112.4447 112.6351 112.7500 112.9114 113.0958 113.3076 113.4391 113.6021 113.7110 113.8842 113.9873 114.2418 114.2633 114.5999 114.7676 114.9040 114.9942 115.2245 115.5095 115.5889 115.8074 115.8400 115.9242 116.1625 116.3132 116.4419 116.6116 116.7074 116.9056 117.0461 117.1809 117.4417 117.4583 117.6774 117.7328 117.8684 117.9157 118.0877 118.2752 118.3550 118.4498 118.5247 118.6357 118.8705 119.0892 119.2519 119.3543 119.5648 119.9037 120.0841 120.1647 120.3435 120.5790 120.6446 120.7346 120.9563 121.4703 121.6372 121.8013 121.9180 122.0376 122.1809 122.5133 122.6583 122.8997 123.1663 123.5488 123.8641 124.1550 124.2746 124.6399 124.9582 125.3566 125.7535 125.8723 126.0442 126.2549 126.4516 126.7152 126.9565 126.9983 127.7091 127.8577 127.9091 128.5391 128.8351 128.9909 129.0493 129.0894 129.2282 129.2885 129.6254 129.9069 129.9554 130.1489 130.3273 130.5068 130.5703 130.8589 131.0789 131.3047 131.5939 131.6760 131.8914 132.0115 132.2763 132.3862 132.7206 132.8612 132.9646 133.1590 133.7607 133.9712 134.1371 134.3857 134.7077 134.9360 135.2063 135.5409 135.9998 136.0767 136.5208 137.0739 137.3592 137.6787 137.8584 138.1617 138.2644 138.3898 138.5113 139.0756 139.2943 139.4836 139.5567 140.2198 140.7310 141.0761 141.1049 141.3511 141.7025 142.5465 142.8411 142.9719 143.4885 143.6948 143.9343 144.0840 144.1281 144.1702 144.2242 144.6461 145.0225 145.0699 145.4826 145.6768 145.8386 146.0504 146.1324 146.6589 147.0291 147.3855 147.4576 147.6375 147.9393 148.1878 148.2508 148.6129 148.8725 149.1241 149.5745 149.6814 149.7751 150.1004 150.3558 150.7224 151.1225 151.4626 151.9642 152.0920 152.5161 152.7561 152.9530 153.6274 154.3279 154.4454 154.8205 155.5373 155.8454 155.9784 156.2086 156.6060 156.7378 157.1676 157.2354 157.9505 158.4278 158.9193 159.0666 159.2427 159.4679 160.2577 160.5193 160.8227 161.2149 161.7741 162.4069 162.5347 162.7513 163.5563 164.1017 165.5720 166.8590 167.8375 169.1914 170.2975 171.3852 172.3204 173.0514 173.2545 174.5364 175.5038 177.6111 178.2157 179.0101 180.6098 182.3569 185.1359 186.3830 186.8138 187.3750 189.2176 189.7083 192.1111 192.3202 193.0871 195.7808 196.5669 198.9286 201.9035 204.9075 206.1585 206.6611 221.3080 221.7151 222.3814 222.8654 222.9971 223.4718 225.7742 225.9610 227.8672 229.3426 294.4723 294.6954 295.6306 297.0456 308.5569 313.3795 608.4840 618.0293 620.9366 626.3463 628.7675 630.6693 631.6493 632.3827 633.9155 634.1388 635.0025 635.1585 636.5319 636.7263 637.4823 638.6154 642.0762 643.3273 647.2421 650.1590 657.2413 658.0995 702.4110 708.0731 876.4305 1200.0971 1212.3373 1214.8064 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 -0.038148 -0.042286 -0.261682 -0.356013 -0.298634 0.000446 0.072308 0.033424 -0.088346 -0.243367 -0.233055 -0.200137 0.310745 0.043457 0.310680 0.056178 -0.253828 -0.110873 -0.216707 0.179760 -0.093394 -0.174797 0.225323 -0.146919 -0.206580 -0.123046 -0.090746 -0.143571 0.092965 0.082755 0.093121 0.102729 0.083795 0.093859 0.072571 0.099674 0.102527 0.120375 0.115554 0.125847 0.129375 0.130475 0.133637 0.127263 0.130047 0.126385 0.126856 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 17.0381 17.0423 8.2617 8.3560 8.2986 6.9996 5.9277 5.9666 6.0883 6.2434 6.2331 6.2001 5.6893 5.9565 5.6893 5.9438 6.2538 6.1109 6.2167 5.8202 6.0934 6.1748 5.7747 6.1469 6.2066 6.1230 6.0907 6.1436 0.9070 0.9172 0.9069 0.8973 0.9162 0.9061 0.9274 0.9003 0.8975 0.8796 0.8844 0.8742 0.8706 0.8695 0.8664 0.8727 0.8700 0.8736 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 -0.0381 -0.0423 -0.2617 -0.3560 -0.2986 0.0004 0.0723 0.0334 -0.0883 -0.2434 -0.2331 -0.2001 0.3107 0.0435 0.3107 0.0562 -0.2538 -0.1109 -0.2167 0.1798 -0.0934 -0.1748 0.2253 -0.1469 -0.2066 -0.1230 -0.0907 -0.1436 0.0930 0.0828 0.0931 0.1027 0.0838 0.0939 0.0726 0.0997 0.1025 0.1204 0.1156 0.1258 0.1294 0.1305 0.1336 0.1273 0.1300 0.1264 0.1269 1.2893 1.2636 2.1263 2.1505 2.1054 3.1204 3.7731 3.8286 3.8630 3.9085 3.9008 3.8965 4.2904 4.2459 3.8416 3.6054 4.0222 3.9651 4.0072 3.9037 3.9286 4.0329 3.8141 3.9204 4.0326 3.9594 3.9383 3.9598 1.0456 1.0355 1.0031 1.0187 1.0044 1.0046 1.0091 1.0039 1.0250 1.0199 1.0161 1.0186 0.9988 1.0098 1.0044 1.0132 0.9996 0.9986 1.0000 1.2893 1.2636 2.1263 2.1505 2.1054 3.1204 3.7731 3.8286 3.8630 3.9085 3.9008 3.8965 4.2904 4.2459 3.8416 3.6054 4.0222 3.9651 4.0072 3.9037 3.9286 4.0329 3.8141 3.9204 4.0326 3.9594 3.9383 3.9598 1.0456 1.0355 1.0031 1.0187 1.0044 1.0046 1.0091 1.0039 1.0250 1.0199 1.0161 1.0186 0.9988 1.0098 1.0044 1.0132 0.9996 0.9986 1.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.2054 1.1595 1.1349 0.8848 1.9773 0.9624 0.9588 3.0589 0.8959 0.8624 0.9644 0.9596 0.9466 1.0064 0.9817 1.0383 1.0090 0.9894 0.9812 0.9909 0.9889 0.9825 0.9943 1.8616 0.9594 0.8881 0.9312 1.0058 1.3713 1.3524 1.4028 0.9432 1.4579 0.9806 1.4426 1.4231 0.9762 0.9681 1.3604 1.4182 1.4351 0.9629 1.4477 0.9701 1.4373 0.9711 1.4238 0.9749 0.9770 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 -0.023973398 -2050.684342355803 25.90166 -25.36470 0.53696 -24.65730 24.58181 -0.07549 1.50188 -2.39544 -0.89357 1.04522 2.65675