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:1.992,-5.5134,1.3943;3.1956,-6.3257,-1.0972;-1.6655,-.9502,-1.3371;-1.3298,-1.7727,.7167;-.0498,3.5553,-.0259;-4.2237,.3828,-2.9683;1.6502,-1.4109,-.3385;1.2902,-2.8563,-.1341;.3797,-1.9723,-.9506;1.5792,-.4935,.8587;2.744,-1.0305,-1.3075;2.0141,-3.9481,-.7972;-.9369,-1.5919,-.4006;2.3506,-5.1023,-.2343;-2.8367,-.3059,-.8643;-2.5031,.9083,-.0264;-3.5967,.0731,-2.0576;-1.4623,1.7391,-.4127;-3.2319,1.1821,1.1201;-1.1305,2.8339,.3724;-2.9065,2.292,1.8832;-1.8545,3.1188,1.5251;.0648,4.8658,.3538;1.2042,5.2508,1.0415;-.9104,5.7948,.0164;1.3696,6.583,1.3923;-.7383,7.1203,.3814;.3995,7.5192,1.0697;.9128,-3.087,.8554;.4014,-2.0876,-2.0289;1.3587,.5309,.5517;2.5435,-.4866,1.3689;.8262,-.794,1.5832;2.7525,-1.6395,-2.2107;3.723,-1.1248,-.8354;2.6247,.008,-1.6198;2.2983,-3.8194,-1.8343;-3.4528,-.9961,-.2779;-.8905,1.5436,-1.3116;-4.0361,.5262,1.4273;-3.4647,2.5069,2.7844;-1.5969,3.9668,2.1455;1.9545,4.5126,1.2923;-1.793,5.4845,-.5286;2.2602,6.8862,1.9266;-1.4965,7.846,.1194;.5296,8.5559,1.3488; 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 2714.1916612904 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 6.464e-06 Time for diagonalization 0.263 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.257 sec Total time needed 0.526 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:1.992,-5.5134,1.3943;3.1956,-6.3257,-1.0972;-1.6655,-.9502,-1.3371;-1.3298,-1.7727,.7167;-.0498,3.5553,-.0259;-4.2237,.3828,-2.9683;1.6502,-1.4109,-.3385;1.2902,-2.8563,-.1341;.3797,-1.9723,-.9506;1.5792,-.4935,.8587;2.744,-1.0305,-1.3075;2.0141,-3.9481,-.7972;-.9369,-1.5919,-.4006;2.3506,-5.1023,-.2343;-2.8367,-.3059,-.8643;-2.5031,.9083,-.0264;-3.5967,.0731,-2.0576;-1.4623,1.7391,-.4127;-3.2319,1.1821,1.1201;-1.1305,2.8339,.3724;-2.9065,2.292,1.8832;-1.8545,3.1188,1.5251;.0648,4.8658,.3537;1.2042,5.2508,1.0415;-.9104,5.7948,.0164;1.3696,6.583,1.3923;-.7383,7.1203,.3814;.3995,7.5192,1.0697;.9128,-3.087,.8554;.4014,-2.0876,-2.0289;1.3587,.5309,.5517;2.5435,-.4866,1.3689;.8262,-.794,1.5832;2.7525,-1.6395,-2.2107;3.723,-1.1248,-.8354;2.6247,.008,-1.6198;2.2983,-3.8194,-1.8343;-3.4528,-.9961,-.2779;-.8905,1.5436,-1.3116;-4.0361,.5262,1.4273;-3.4647,2.5069,2.7844;-1.5969,3.9668,2.1455;1.9545,4.5126,1.2923;-1.793,5.4845,-.5286;2.2602,6.8862,1.9266;-1.4965,7.8461,.1194;.5296,8.5559,1.3488; 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:1.992,-5.5134,1.3943;3.1956,-6.3257,-1.0972;-1.6655,-.9502,-1.3371;-1.3298,-1.7727,.7167;-.0498,3.5553,-.0259;-4.2237,.3828,-2.9683;1.6502,-1.4109,-.3385;1.2902,-2.8563,-.1341;.3797,-1.9723,-.9506;1.5792,-.4935,.8587;2.744,-1.0305,-1.3075;2.0141,-3.9481,-.7972;-.9369,-1.5919,-.4006;2.3506,-5.1023,-.2343;-2.8367,-.3059,-.8643;-2.5031,.9083,-.0264;-3.5967,.0731,-2.0576;-1.4623,1.7391,-.4127;-3.2319,1.1821,1.1201;-1.1305,2.8339,.3724;-2.9065,2.292,1.8832;-1.8545,3.1188,1.5251;.0648,4.8658,.3538;1.2042,5.2508,1.0415;-.9104,5.7948,.0164;1.3696,6.583,1.3923;-.7383,7.1203,.3814;.3995,7.5192,1.0697;.9128,-3.087,.8554;.4014,-2.0876,-2.0289;1.3587,.5309,.5517;2.5435,-.4866,1.3689;.8262,-.794,1.5832;2.7525,-1.6395,-2.2107;3.723,-1.1248,-.8354;2.6247,.008,-1.6198;2.2983,-3.8194,-1.8343;-3.4528,-.9961,-.2779;-.8905,1.5436,-1.3116;-4.0361,.5262,1.4273;-3.4647,2.5069,2.7844;-1.5969,3.9668,2.1455;1.9545,4.5126,1.2923;-1.793,5.4845,-.5286;2.2602,6.8862,1.9266;-1.4965,7.846,.1194;.5296,8.5559,1.3488; -2050.66023445 2714.19166129 -4764.85189574 -8203.54113587 3438.68924013 -4095.19892425 2044.53868980 2.00299410 108.000121983086 108.000121983086 216.000243966172 -151.871848250715 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 -2765.6879 -2765.6423 -525.3390 -524.8300 -523.4806 -392.7453 -283.7699 -283.0449 -282.9503 -281.9693 -281.7459 -280.9836 -280.9652 -280.7458 -280.6648 -280.6174 -280.5802 -280.2893 -280.1788 -280.1608 -280.1607 -280.1560 -280.1364 -280.0936 -280.0701 -280.0022 -279.8797 -279.6484 -260.9563 -260.9103 -199.7996 -199.7554 -199.5513 -199.5437 -199.5028 -199.4984 -34.2941 -33.2492 -31.7042 -28.5481 -28.2477 -27.9487 -27.4121 -26.9453 -26.0529 -25.5324 -24.5185 -24.3409 -24.0139 -23.8534 -23.4189 -23.2612 -22.4104 -21.4531 -20.8545 -20.3635 -20.0718 -19.3844 -19.2873 -18.7164 -18.4464 -18.3140 -17.6732 -17.2722 -17.1730 -16.6422 -16.5123 -16.4459 -16.2504 -16.1533 -15.9918 -15.6877 -15.2405 -15.2004 -15.0235 -14.9255 -14.6509 -14.5585 -14.3238 -14.2846 -14.1045 -14.0557 -13.8269 -13.5730 -13.4703 -13.2747 -13.2010 -13.1002 -12.9234 -12.8149 -12.7658 -12.5187 -12.4356 -12.2464 -12.2167 -12.0028 -11.9333 -11.7676 -11.6734 -11.5076 -11.2400 -10.9037 -10.5891 -9.8805 -9.6956 -9.5904 -9.0569 -8.7916 0.7828 1.2168 1.3179 1.4251 1.6973 1.9834 2.4660 2.5789 2.6843 2.9601 3.1441 3.4088 3.4723 3.6528 3.8428 3.9498 4.1048 4.1588 4.3479 4.4580 4.5857 4.6081 4.7775 4.8939 5.0079 5.0266 5.2201 5.3793 5.5920 5.6688 5.7835 5.8844 5.9435 6.0903 6.2515 6.4132 6.4932 6.5719 6.7629 6.8764 7.1137 7.1775 7.2360 7.3336 7.4360 7.5595 7.6063 7.7353 7.8065 7.8913 7.9317 7.9869 8.0308 8.1553 8.2772 8.4100 8.4617 8.6170 8.6414 8.7900 8.8835 9.0722 9.1454 9.2591 9.2962 9.4855 9.5608 9.6003 9.7604 9.8728 9.9206 10.0832 10.1696 10.3663 10.3894 10.5668 10.7330 10.7668 10.8091 10.8854 10.9803 11.0478 11.2060 11.2742 11.4253 11.4658 11.5241 11.6200 11.7835 11.7912 11.8809 11.9583 12.0256 12.1313 12.1887 12.2344 12.4977 12.5538 12.5748 12.6371 12.7474 12.8063 12.9017 12.9480 13.0902 13.2551 13.2980 13.3847 13.5094 13.5490 13.5704 13.5830 13.7038 13.8465 13.9675 13.9989 14.0626 14.2269 14.3015 14.3844 14.5100 14.6235 14.7086 14.8225 14.8961 14.9595 15.0155 15.0460 15.2514 15.2763 15.3791 15.4726 15.5402 15.6100 15.6495 15.8529 15.8901 16.0586 16.1995 16.2357 16.2939 16.3473 16.4412 16.6555 16.7066 16.8077 16.8749 17.1618 17.3594 17.4743 17.5316 17.8052 17.8326 18.0244 18.0839 18.2093 18.3767 18.4853 18.6895 18.8736 18.9508 19.0992 19.3115 19.3548 19.4762 19.7497 19.8232 19.8983 19.9806 20.0853 20.1919 20.2284 20.3921 20.4990 20.5906 20.7248 20.8679 21.0469 21.1546 21.2911 21.3925 21.4859 21.6234 21.7753 21.8538 22.0352 22.1023 22.2846 22.4916 22.6280 22.6872 22.8057 22.9107 23.1595 23.2283 23.2731 23.4702 23.5736 23.6589 23.8188 23.9030 24.1812 24.4162 24.4477 24.5169 24.6729 24.8431 24.8943 25.0325 25.1596 25.5061 25.7533 25.9242 26.0212 26.2468 26.3271 26.7116 26.7953 26.9218 27.0508 27.2789 27.3137 27.4479 27.6762 27.7970 27.9487 28.0361 28.2230 28.3064 28.3435 28.5953 28.6952 28.8381 28.9876 29.0791 29.1571 29.2475 29.4137 29.5214 29.6490 29.8829 29.9520 30.0907 30.1368 30.3323 30.4481 30.6991 30.8400 30.9852 31.1866 31.3204 31.3802 31.5538 31.6005 31.8188 31.9629 32.1085 32.1819 32.2359 32.4836 32.5185 32.6709 32.9098 33.0312 33.1211 33.2343 33.3534 33.3959 33.7133 33.8113 34.0034 34.1125 34.1532 34.2014 34.3871 34.6337 34.6731 34.7828 35.0906 35.1970 35.2864 35.5899 35.7256 35.8703 35.9800 36.1341 36.1589 36.2737 36.3385 36.4686 36.6989 36.8148 36.9025 37.1632 37.2598 37.3581 37.5525 37.6056 37.7393 37.9239 38.0632 38.0758 38.2579 38.4068 38.5041 38.6801 38.7394 38.8997 38.9332 38.9764 39.1310 39.2286 39.3228 39.5629 39.7171 39.9288 40.1010 40.2066 40.3698 40.4946 40.5420 40.8814 40.9318 41.0508 41.1958 41.3664 41.6900 41.8903 41.9362 42.0773 42.2831 42.3629 42.5155 42.5779 42.6950 42.8486 43.0922 43.1882 43.2664 43.4654 43.5069 43.5970 43.7519 43.8942 43.9722 44.2360 44.3199 44.4664 44.5569 44.7113 44.8950 45.1245 45.2546 45.3737 45.4268 45.7411 45.8548 45.8840 46.0682 46.1476 46.5257 46.6628 46.7910 46.8293 47.0990 47.2946 47.3292 47.3700 47.5747 47.7203 47.9827 47.9988 48.2592 48.4811 48.6774 48.7737 49.1329 49.2114 49.4532 49.6108 49.8644 49.9144 50.0982 50.2213 50.4279 50.6015 50.6978 50.8238 50.9347 51.1644 51.3184 51.4097 51.4837 51.6423 51.8093 52.0319 52.0865 52.3545 52.3981 52.4752 52.5878 52.6571 53.0339 53.1642 53.5855 53.7249 53.8056 54.1287 54.2352 54.6965 54.8485 55.1621 55.1852 55.2750 55.6392 56.0056 56.0955 56.3457 56.4610 56.6911 56.7976 56.9554 57.0331 57.2649 57.2927 57.5614 57.8199 58.0977 58.1966 58.3030 58.3449 58.6357 58.7573 58.9556 59.1358 59.3167 59.4660 59.5316 59.6344 59.8611 60.0099 60.1211 60.3096 60.5988 60.8961 61.1354 61.5655 61.6855 61.8830 62.1475 62.1753 62.4533 62.9788 63.1180 63.2296 63.2931 63.3734 63.5284 63.5900 63.9739 64.1091 64.2973 64.4368 64.6997 64.8051 65.1408 65.3567 65.4919 65.5074 65.7477 65.9460 66.0770 66.2732 66.4674 66.5431 66.9987 67.0266 67.2683 67.3504 67.6415 67.7320 67.9269 68.3706 68.5544 68.6745 68.7937 69.2449 69.4816 69.7771 69.8961 69.9490 70.2678 70.8130 71.1528 71.3054 71.4765 71.9422 72.2832 72.5286 72.8851 72.9390 73.1425 73.3693 73.5189 73.6429 73.9696 74.3296 74.4372 74.5173 74.5974 74.7768 74.9295 75.2883 75.5049 75.7263 76.0264 76.1803 76.2585 76.4653 76.5540 76.7219 76.8158 76.9962 77.2676 77.4010 77.6327 77.7617 77.8318 78.0269 78.1161 78.2869 78.4285 78.5138 78.5959 78.8556 79.0100 79.1685 79.2838 79.3117 79.4175 79.5511 79.6226 79.7502 80.0064 80.0902 80.1860 80.2255 80.3291 80.5688 80.7024 80.9526 81.2689 81.2883 81.6392 81.7874 81.8435 81.9125 82.0853 82.3589 82.4764 82.5900 82.6294 82.7201 82.8224 82.9816 83.3106 83.4305 83.5044 83.6784 83.9102 84.1926 84.2271 84.3390 84.5128 84.6270 84.6847 84.7694 84.9583 85.0304 85.2416 85.3322 85.3830 85.4593 85.5516 85.7931 85.8583 85.9729 86.0571 86.0977 86.2268 86.3433 86.5457 86.7368 86.9663 87.0312 87.2259 87.4877 87.6566 87.7135 87.9568 88.0691 88.1408 88.2365 88.3590 88.4723 88.6295 88.6716 88.7705 88.8347 88.9761 89.0719 89.1716 89.4083 89.5319 89.5854 89.7447 89.7688 89.8918 89.9301 90.0505 90.3375 90.5181 90.5742 90.7789 90.8717 91.0072 91.1236 91.2004 91.4577 91.5168 91.8702 92.0192 92.2377 92.3105 92.3473 92.4504 92.6066 92.7142 92.8249 92.9975 93.0963 93.1574 93.2576 93.3860 93.4623 93.5690 93.8328 93.9408 94.1040 94.1443 94.2874 94.4672 94.5776 94.6156 94.7379 94.7958 94.9257 95.2003 95.2735 95.3450 95.5752 95.6016 95.8618 95.9685 96.3181 96.4007 96.5887 96.7515 96.8073 96.8449 97.1014 97.3058 97.3674 97.4114 97.6236 97.6880 97.9169 98.0180 98.1509 98.2505 98.3039 98.6073 98.7654 98.8907 99.0057 99.0608 99.4545 99.5315 99.6728 100.1561 100.1962 100.2782 100.6669 100.7095 100.8252 100.9190 101.3073 101.4971 101.5703 101.9175 102.0050 102.2609 102.3353 102.5809 102.7283 103.0494 103.3258 103.5212 103.7545 103.9289 104.0891 104.3363 104.5164 104.6380 104.9382 104.9510 105.0951 105.1725 105.2321 105.2910 105.3347 105.4545 105.5393 105.7197 105.9831 106.2071 106.2953 106.4946 106.6906 106.8634 106.9617 107.0433 107.0653 107.4247 107.5012 107.6717 107.7078 108.0138 108.1473 108.3929 108.7040 108.9004 109.0522 109.2085 109.2954 109.3927 109.6873 109.8453 109.9706 110.2386 110.2758 110.3820 110.5084 110.6678 110.7863 111.0108 111.1008 111.2225 111.3417 111.5842 111.6295 112.0573 112.1688 112.4707 112.6844 112.9483 112.9936 113.1625 113.4775 113.6610 113.7540 113.9475 114.1314 114.2316 114.3578 114.5019 114.8697 114.9532 115.0658 115.3918 115.4802 115.7692 115.8376 115.8588 116.2245 116.3590 116.3988 116.5824 116.7199 116.7331 116.9540 117.0400 117.2365 117.3065 117.4381 117.6500 117.7368 117.9604 118.0300 118.1708 118.3263 118.3886 118.4558 118.5227 118.6934 118.9577 119.1620 119.2294 119.4357 119.6548 119.8950 119.9255 120.3499 120.4081 120.7358 120.8704 120.9522 121.0935 121.2951 121.6426 121.7546 121.9718 122.0095 122.2803 122.7853 122.9048 123.1238 123.2308 123.5272 123.6623 123.9966 124.1759 124.8937 125.2003 125.4012 125.8230 125.9443 126.1459 126.2990 126.4259 126.7760 127.0223 127.4155 127.5185 127.8862 128.1871 128.4035 128.7029 128.9074 129.0923 129.2094 129.3436 129.5315 129.7109 129.8670 129.9373 130.1257 130.2494 130.2982 130.6543 130.8003 131.0836 131.1874 131.4949 131.7383 131.8329 132.0056 132.0876 132.2007 132.5006 132.6583 132.9188 133.2202 133.9938 134.2215 134.4812 134.5482 134.8004 134.9499 135.3680 135.4843 135.8832 136.2357 136.4248 137.0419 137.2731 137.6737 137.7919 137.9576 138.1911 138.2053 138.5095 139.1066 139.4727 139.6782 140.0144 140.3784 140.4367 140.8876 141.0795 141.3599 141.3962 142.3851 142.7864 142.8487 143.5094 143.6626 143.8607 143.9470 144.0059 144.0861 144.2855 144.7237 144.9840 145.3456 145.5287 145.7725 145.9776 146.1503 146.5082 146.8006 147.2076 147.3042 147.4496 147.6602 147.9013 148.0307 148.0727 148.5751 148.6670 149.3245 149.4815 149.7554 149.8278 150.2880 150.6431 151.1099 151.3189 151.6363 151.7488 152.0763 152.1394 152.7379 153.3797 153.9397 154.4073 154.5127 154.6422 155.3136 155.7481 156.2469 156.3813 156.6519 157.0428 157.5039 157.6215 158.1297 158.6091 159.1820 159.3268 159.4585 159.6386 159.7468 160.7878 161.1146 161.3575 161.5597 161.9683 162.6040 163.4521 163.9981 164.4720 165.6181 166.9847 167.7033 169.0654 169.1752 172.2005 172.4251 172.9803 173.4666 174.2270 175.4412 177.3461 178.3413 179.2391 181.1591 182.2317 185.1633 186.3900 187.2065 187.4175 189.3911 189.8597 191.6380 192.1050 193.1376 196.1101 196.4439 199.0010 201.7110 204.8885 206.6577 206.8718 221.3245 221.6832 222.3841 222.9266 222.9363 223.5227 225.7914 225.9765 227.9202 229.3510 294.4902 294.7644 295.7093 297.1461 308.5733 313.3445 608.9244 618.3803 621.1868 625.7515 628.9882 631.1191 631.5682 632.2846 633.7194 634.1889 635.1451 635.1683 636.4675 636.6693 637.5595 639.0952 641.9788 642.7343 647.4498 650.4092 657.3509 658.0672 702.1469 708.1035 876.3273 1200.6511 1212.6358 1215.6615 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 -0.038887 -0.044942 -0.267490 -0.348174 -0.302476 0.000844 0.069477 0.043136 -0.065153 -0.245858 -0.245850 -0.207205 0.291738 0.051754 0.315705 0.091392 -0.256849 -0.276580 -0.147888 0.239223 -0.108861 -0.156844 0.200413 -0.178835 -0.145407 -0.109631 -0.123498 -0.124686 0.085913 0.083131 0.082962 0.095883 0.102733 0.073767 0.099481 0.096701 0.097624 0.125128 0.127739 0.106051 0.129271 0.135692 0.125330 0.137683 0.128059 0.129859 0.128426 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 17.0389 17.0449 8.2675 8.3482 8.3025 6.9992 5.9305 5.9569 6.0652 6.2459 6.2458 6.2072 5.7083 5.9482 5.6843 5.9086 6.2568 6.2766 6.1479 5.7608 6.1089 6.1568 5.7996 6.1788 6.1454 6.1096 6.1235 6.1247 0.9141 0.9169 0.9170 0.9041 0.8973 0.9262 0.9005 0.9033 0.9024 0.8749 0.8723 0.8939 0.8707 0.8643 0.8747 0.8623 0.8719 0.8701 0.8716 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 -0.0389 -0.0449 -0.2675 -0.3482 -0.3025 0.0008 0.0695 0.0431 -0.0652 -0.2459 -0.2458 -0.2072 0.2917 0.0518 0.3157 0.0914 -0.2568 -0.2766 -0.1479 0.2392 -0.1089 -0.1568 0.2004 -0.1788 -0.1454 -0.1096 -0.1235 -0.1247 0.0859 0.0831 0.0830 0.0959 0.1027 0.0738 0.0995 0.0967 0.0976 0.1251 0.1277 0.1061 0.1293 0.1357 0.1253 0.1377 0.1281 0.1299 0.1284 1.2884 1.2599 2.1127 2.1539 2.0770 3.1214 3.7721 3.8436 3.8215 3.9095 3.9042 3.9263 4.3160 4.2513 3.8227 3.6199 4.0237 4.0427 4.0417 3.8052 3.9773 3.9492 3.8464 4.0245 3.9621 3.9438 3.9486 3.9441 1.0513 1.0338 1.0050 1.0030 1.0181 1.0101 1.0029 1.0042 1.0305 1.0167 1.0297 1.0131 1.0009 1.0046 1.0107 1.0026 0.9994 0.9996 0.9996 1.2884 1.2599 2.1127 2.1539 2.0770 3.1214 3.7721 3.8436 3.8215 3.9095 3.9042 3.9263 4.3160 4.2513 3.8227 3.6199 4.0237 4.0427 4.0417 3.8052 3.9773 3.9492 3.8464 4.0245 3.9621 3.9438 3.9486 3.9441 1.0513 1.0338 1.0050 1.0030 1.0181 1.0101 1.0029 1.0042 1.0305 1.0167 1.0297 1.0131 1.0009 1.0046 1.0107 1.0026 0.9994 0.9996 0.9996 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.1975 1.1537 1.1284 0.8727 1.9918 0.9667 0.9290 3.0581 0.9129 0.8535 0.9589 0.9554 0.9311 1.0251 0.9846 1.0374 1.0043 0.9908 0.9897 0.9835 0.9869 0.9939 0.9872 1.8735 0.9516 0.9012 0.9324 1.0020 1.3566 1.3888 1.4134 0.9840 1.4618 0.9686 1.3734 1.4403 0.9692 0.9566 1.4296 1.3892 1.4308 0.9726 1.4342 0.9664 1.4311 0.9733 1.4265 0.9718 0.9760 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 -0.024574173 -2050.684808622530 -1.79338 2.69768 0.90431 42.67976 -41.41670 1.26306 4.28104 -3.34879 0.93225 1.81168 4.60493