Orca 5.0.3 RELEASE 1 2 3 4 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl Cl O O O 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 H 1 1 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:2.5042,-5.2124,.8419;4.2999,-5.4826,-1.4003;-1.2571,-.8237,-2.1286;-1.241,-1.9962,-.2225;-1.0111,3.4224,.4954;1.7915,-1.0205,-.4784;1.6397,-2.5179,-.5351;.7949,-1.6478,-1.431;2.9965,-.3625,-1.1075;1.3164,-.3122,.7677;2.6675,-3.3829,-1.1275;-.6598,-1.541,-1.1679;3.0926,-4.5346,-.6226;-2.6156,-.4666,-1.8977;-2.7571,.5153,-.7662;-1.8615,1.57,-.6459;-3.7885,.3854,.1533;-1.9805,2.4692,.4038;-3.9153,1.3031,1.1838;-3.0123,2.3443,1.3268;-1.2763,4.6217,1.092;-.3736,5.0829,2.0376;-2.3754,5.3916,.7307;-.5707,6.3247,2.6228;-2.5665,6.6258,1.331;-1.6686,7.0979,2.278;1.1008,-2.9461,.3022;1.0678,-1.5935,-2.4797;2.7894,.6902,-1.3057;3.8555,-.412,-.4365;3.289,-.8169,-2.0533;2.128,-.2685,1.4959;1.0168,.7134,.5427;.4723,-.8057,1.2438;3.1234,-3.0714,-2.0593;-2.9454,-.0228,-2.8381;-3.2265,-1.353,-1.7124;-1.0493,1.6942,-1.352;-4.479,-.4449,.0796;-4.7128,1.193,1.9064;-3.1064,3.0358,2.1535;.478,4.4712,2.3047;-3.0732,5.0322,-.0148;.1366,6.6841,3.3584;-3.4218,7.2256,1.0492;-1.8223,8.0634,2.7404; 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 1498 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 204 Dim 1108 ENuc 2457.5063170186 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 6.629e-06 Time for diagonalization 0.371 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.325 sec Total time needed 0.708 sec 17 17 8 8 8 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 1 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:2.5042,-5.2124,.8419;4.2999,-5.4826,-1.4003;-1.2571,-.8237,-2.1286;-1.241,-1.9962,-.2225;-1.0111,3.4224,.4954;1.7915,-1.0205,-.4784;1.6397,-2.5179,-.5351;.7949,-1.6478,-1.431;2.9965,-.3625,-1.1075;1.3164,-.3122,.7677;2.6675,-3.3829,-1.1275;-.6598,-1.541,-1.1679;3.0926,-4.5346,-.6226;-2.6156,-.4666,-1.8977;-2.7571,.5153,-.7662;-1.8615,1.57,-.6459;-3.7885,.3854,.1533;-1.9805,2.4692,.4038;-3.9153,1.3031,1.1838;-3.0123,2.3443,1.3268;-1.2763,4.6217,1.092;-.3736,5.0829,2.0376;-2.3754,5.3916,.7307;-.5707,6.3247,2.6228;-2.5665,6.6258,1.331;-1.6686,7.0979,2.278;1.1008,-2.9461,.3022;1.0678,-1.5935,-2.4797;2.7894,.6902,-1.3057;3.8555,-.412,-.4365;3.289,-.8169,-2.0533;2.128,-.2685,1.4959;1.0168,.7134,.5427;.4723,-.8057,1.2438;3.1234,-3.0714,-2.0593;-2.9454,-.0228,-2.8381;-3.2265,-1.353,-1.7124;-1.0493,1.6942,-1.352;-4.479,-.4449,.0796;-4.7128,1.193,1.9064;-3.1064,3.0358,2.1535;.478,4.4712,2.3047;-3.0732,5.0322,-.0148;.1366,6.6841,3.3584;-3.4218,7.2256,1.0492;-1.8223,8.0634,2.7404; 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 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:2.5042,-5.2124,.8419;4.2999,-5.4826,-1.4003;-1.2571,-.8237,-2.1286;-1.241,-1.9962,-.2225;-1.0111,3.4224,.4954;1.7915,-1.0205,-.4784;1.6397,-2.5179,-.5351;.7949,-1.6478,-1.431;2.9965,-.3625,-1.1075;1.3164,-.3122,.7677;2.6675,-3.3829,-1.1275;-.6598,-1.541,-1.1679;3.0926,-4.5346,-.6226;-2.6156,-.4666,-1.8977;-2.7571,.5153,-.7662;-1.8615,1.57,-.6459;-3.7885,.3854,.1533;-1.9805,2.4692,.4038;-3.9153,1.3031,1.1838;-3.0123,2.3443,1.3268;-1.2763,4.6217,1.092;-.3736,5.0829,2.0376;-2.3754,5.3916,.7307;-.5707,6.3247,2.6228;-2.5665,6.6258,1.331;-1.6686,7.0979,2.278;1.1008,-2.9461,.3022;1.0678,-1.5935,-2.4797;2.7894,.6902,-1.3057;3.8555,-.412,-.4365;3.289,-.8169,-2.0533;2.128,-.2685,1.4959;1.0168,.7134,.5427;.4723,-.8057,1.2438;3.1234,-3.0714,-2.0593;-2.9454,-.0228,-2.8381;-3.2265,-1.353,-1.7124;-1.0493,1.6942,-1.352;-4.479,-.4449,.0796;-4.7128,1.193,1.9064;-3.1064,3.0358,2.1535;.478,4.4712,2.3047;-3.0732,5.0322,-.0148;.1366,6.6841,3.3584;-3.4218,7.2256,1.0492;-1.8223,8.0634,2.7404; -1958.42558698 2457.50631702 -4415.93190400 -7568.23301312 3152.30110912 -3911.04316658 1952.61757960 2.00297447 102.000182551545 102.000182551545 204.000365103090 -143.513931488053 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.5252 -2765.4971 -524.7293 -524.6088 -522.9763 -283.2686 -282.7682 -281.6443 -281.6004 -281.4783 -280.7115 -280.4050 -280.3529 -280.3397 -280.2286 -280.0152 -279.9994 -279.9615 -279.9337 -279.8839 -279.8357 -279.8316 -279.7886 -279.7284 -279.6864 -279.4150 -260.7937 -260.7650 -199.6368 -199.6095 -199.3887 -199.3811 -199.3577 -199.3537 -33.6544 -33.0110 -31.1054 -28.3627 -27.6871 -27.0763 -26.6960 -25.8947 -24.7263 -24.2388 -24.1364 -23.8446 -23.4569 -23.1169 -22.6592 -22.1877 -20.8179 -20.5537 -19.9675 -19.7474 -19.0404 -18.7909 -18.2493 -18.1342 -17.6379 -17.0120 -16.9480 -16.3965 -16.2644 -16.1877 -16.0580 -15.9071 -15.7342 -15.5973 -15.0743 -15.0175 -14.8053 -14.6174 -14.5613 -14.4549 -14.1216 -14.0009 -13.9411 -13.8301 -13.7783 -13.4832 -13.2345 -13.1210 -12.9290 -12.7863 -12.6170 -12.5091 -12.4085 -12.2385 -11.9255 -11.8384 -11.7353 -11.6041 -11.4388 -11.1043 -11.0793 -10.5723 -10.2555 -9.6325 -9.4024 -9.3361 -8.8540 -8.4675 1.1984 1.4905 1.5680 1.6965 2.0521 2.3522 2.6560 2.8752 3.2230 3.5054 3.6610 3.9012 4.0343 4.1863 4.2477 4.3465 4.5108 4.5954 4.6841 4.7633 4.9173 5.0391 5.0965 5.1110 5.3979 5.4996 5.6696 5.7216 5.9316 5.9613 6.1016 6.2907 6.4583 6.4987 6.5991 6.8113 6.8441 6.9357 7.0846 7.3095 7.3593 7.5044 7.6531 7.7684 7.7798 7.9315 7.9431 8.1067 8.1610 8.1885 8.2433 8.4281 8.4936 8.5594 8.7248 8.8896 8.9590 9.0480 9.3261 9.3544 9.5027 9.5479 9.6622 9.7193 9.8023 9.9654 10.0836 10.1516 10.3043 10.4602 10.5615 10.5898 10.8014 10.9377 11.0008 11.0252 11.2189 11.3787 11.3929 11.4331 11.5037 11.6338 11.6610 11.7946 11.8603 12.0433 12.0796 12.1293 12.1910 12.3479 12.4498 12.4650 12.5244 12.7612 12.8187 12.8441 12.9083 13.0383 13.1236 13.1412 13.2693 13.3937 13.4694 13.5122 13.5663 13.7217 13.8000 13.8710 13.9544 14.0170 14.1182 14.2191 14.3731 14.4696 14.5474 14.6426 14.7761 14.9745 14.9913 15.0978 15.1226 15.2028 15.3309 15.4233 15.4879 15.6263 15.7193 15.7708 15.8060 15.8804 15.9715 16.1383 16.2315 16.3446 16.4456 16.5743 16.6052 16.7198 16.9190 16.9366 16.9863 17.1998 17.6024 17.7273 17.8274 18.0555 18.1803 18.2910 18.3956 18.6050 18.7650 18.8000 19.0666 19.2108 19.3558 19.3941 19.5321 19.7316 19.8917 19.9749 20.1101 20.2506 20.3410 20.5184 20.5641 20.6507 20.8127 20.8382 21.1458 21.2256 21.2790 21.3935 21.4821 21.5889 21.6376 21.9480 22.0978 22.2098 22.3583 22.6781 22.7799 22.8843 23.0257 23.1887 23.2994 23.4348 23.5291 23.5494 23.7229 23.9784 24.1100 24.1641 24.1898 24.3723 24.6796 24.9170 25.0183 25.1340 25.1671 25.5158 25.6424 25.7891 25.9322 26.1286 26.1939 26.4167 26.7128 26.8545 27.0998 27.2262 27.2751 27.5677 27.6509 27.8262 27.9307 28.0855 28.2982 28.4804 28.5325 28.6787 28.7916 28.8962 28.9321 29.1174 29.2073 29.4031 29.6030 29.6634 29.7371 29.8242 30.0803 30.1851 30.2777 30.4370 30.6149 30.6742 30.8557 31.1114 31.1405 31.3951 31.4813 31.5089 31.6848 31.9690 32.0732 32.1579 32.3032 32.3689 32.5439 32.7685 32.8537 33.0367 33.0981 33.3465 33.5129 33.6719 33.7889 33.9188 34.0290 34.1535 34.3014 34.4012 34.5816 34.7266 34.8099 34.9733 35.1036 35.2932 35.5874 35.7579 35.9412 36.0607 36.2136 36.2208 36.4298 36.5072 36.5454 36.7267 36.7309 37.0418 37.1910 37.3225 37.4741 37.7209 37.8883 37.9445 38.1502 38.1738 38.2332 38.4789 38.4886 38.5801 38.7868 38.9276 39.0675 39.1566 39.2801 39.3305 39.5643 39.7312 39.8373 40.1493 40.2517 40.5268 40.5931 40.8521 40.9797 41.0588 41.1740 41.2944 41.3400 41.6870 41.9401 42.0423 42.1747 42.2837 42.4262 42.5706 42.7642 42.7941 42.9577 43.3086 43.3990 43.4364 43.6317 43.6978 43.7934 43.9587 44.2442 44.3219 44.4934 44.5555 44.6150 44.7177 44.7759 45.1103 45.3231 45.3824 45.4217 45.6968 45.9730 46.0601 46.1859 46.2782 46.4842 46.6588 46.9377 47.0850 47.1330 47.3117 47.4157 47.5968 47.7446 47.9405 48.0434 48.3600 48.5943 48.7386 48.8006 49.1002 49.4133 49.6781 49.7669 49.8196 50.0252 50.2132 50.3645 50.6265 50.7725 50.8362 50.8764 51.1188 51.3008 51.4558 51.6510 51.7647 51.8293 52.0141 52.2499 52.3554 52.4596 52.5204 52.5938 52.6907 52.9776 53.0970 53.2838 53.5374 53.8450 53.9668 54.4189 54.8272 55.0100 55.1291 55.2725 55.5138 55.6523 55.8870 56.2277 56.2897 56.4344 56.8487 56.9986 57.1459 57.2051 57.3270 57.6150 57.7326 58.2199 58.3347 58.4296 58.5184 58.6119 58.9549 59.1831 59.4284 59.4639 59.6065 59.6657 59.9460 60.1000 60.1628 60.5197 60.6365 60.8443 61.1708 61.2612 61.6672 61.8576 62.1724 62.3211 62.7066 62.8354 63.1307 63.2530 63.4266 63.5045 63.6758 63.7956 63.8804 64.1785 64.3472 64.6708 64.8360 64.9170 65.2011 65.3911 65.5895 65.8286 65.9340 66.1010 66.4647 66.5369 66.6428 66.9736 67.2063 67.3681 67.6706 67.9028 67.9218 68.1342 68.6100 68.6881 68.8351 69.3314 69.4030 69.6110 70.0619 70.2225 70.3239 71.0120 71.3587 71.4616 71.9250 72.1389 72.5014 72.8873 73.0709 73.4216 73.5158 73.8145 73.8908 74.1481 74.3384 74.4484 74.5531 74.6011 74.8436 75.0733 75.4856 75.9216 76.0893 76.2840 76.3511 76.5482 76.5656 76.7250 76.8778 77.1973 77.2743 77.4368 77.5646 77.8132 78.0102 78.1511 78.2810 78.4831 78.6869 78.9147 78.9670 79.2104 79.2901 79.3478 79.4586 79.5545 79.6537 79.7255 79.9530 79.9948 80.3041 80.4218 80.5398 80.7849 81.1045 81.2069 81.3676 81.5298 81.7194 81.9453 81.9964 82.1534 82.2192 82.2980 82.4417 82.7023 82.7914 82.8987 83.0421 83.1786 83.4237 83.5343 83.6259 83.8021 84.0620 84.1501 84.4219 84.4715 84.5757 84.7439 84.8521 85.0879 85.1302 85.2189 85.3505 85.4109 85.5260 85.6413 85.9430 85.9472 86.1251 86.1952 86.3159 86.4087 86.4706 86.7768 86.9630 87.1645 87.2437 87.3631 87.7215 87.8562 87.8864 87.9361 88.1922 88.3987 88.4523 88.4652 88.6418 88.7657 88.8658 89.0151 89.1621 89.2457 89.3111 89.3894 89.6340 89.7306 89.8312 89.9297 90.1038 90.2067 90.3114 90.3646 90.7228 90.7480 91.1438 91.1744 91.3417 91.5966 91.7032 91.8682 92.1710 92.1776 92.3252 92.5135 92.5764 92.6937 92.8838 92.9855 93.0126 93.1519 93.2759 93.3506 93.5095 93.6688 93.7851 93.8795 93.9104 94.1335 94.2175 94.4163 94.4597 94.5565 94.6780 94.8746 94.9813 95.0658 95.2842 95.4549 95.5031 95.5671 95.6678 95.9007 96.0157 96.2339 96.5866 96.6660 96.7887 96.8553 97.0374 97.1328 97.3479 97.4892 97.6226 97.7718 97.8461 98.0613 98.1062 98.1893 98.4416 98.5448 98.7359 98.8427 98.9549 99.1326 99.2554 99.3745 99.7043 100.0445 100.1278 100.3314 100.5702 100.6874 100.8801 100.9316 101.1669 101.2589 101.5187 101.9058 102.1293 102.2617 102.4379 102.6814 102.8813 102.9839 103.2872 103.3424 103.6557 103.8285 104.0696 104.2407 104.4822 104.6758 104.8741 104.9888 105.1694 105.2410 105.3645 105.4329 105.4428 105.6292 105.7438 105.8212 106.0126 106.2986 106.4061 106.5119 106.7113 106.8650 107.0234 107.0590 107.2539 107.4786 107.5086 107.6480 107.7236 108.0208 108.2541 108.3193 108.6323 108.6866 109.1255 109.2913 109.4949 109.5782 109.6223 109.8619 110.1226 110.2319 110.4554 110.5262 110.7033 111.0313 111.1316 111.2403 111.5058 111.6610 111.7132 111.9789 112.1561 112.3325 112.5561 112.9198 112.9524 113.1416 113.3096 113.5556 113.6933 113.8725 114.0348 114.2887 114.4267 114.5255 114.7367 114.8204 115.1251 115.1587 115.2951 115.5610 115.8218 116.0039 116.2738 116.3992 116.5090 116.6802 116.8385 116.9088 117.0480 117.1096 117.3273 117.4467 117.4517 117.6964 117.8024 117.8780 118.1561 118.2379 118.3277 118.4135 118.4734 118.6567 118.7517 118.8421 119.1593 119.3054 119.5385 119.7803 119.9544 120.0608 120.3258 120.5852 120.6356 120.8360 121.0590 121.1045 121.4123 121.4883 122.1047 122.2865 122.3554 122.4167 122.7643 122.9732 123.2333 123.5138 123.7913 123.8675 123.9825 124.2392 124.7180 124.8345 125.5014 125.7698 126.0452 126.1763 126.4429 126.8455 127.5617 127.8194 128.0437 128.2791 128.4852 128.8381 129.0344 129.1457 129.4036 129.5862 129.6245 129.7483 129.8787 130.2175 130.2757 130.4732 130.5256 130.7519 130.9721 131.2269 131.3469 131.5647 131.8049 131.9698 132.2298 132.2640 132.6976 132.7617 133.1661 133.4776 134.2219 134.3384 134.5147 134.6671 134.9964 135.1069 135.2970 135.6650 135.6932 136.1563 136.5878 136.7071 137.2553 137.4642 137.9429 138.1977 138.2709 138.3788 138.5302 138.6561 139.3650 139.4865 139.7583 140.5592 140.5825 141.0465 141.1574 141.5143 141.6343 142.6179 142.9315 143.3410 143.6890 143.9442 144.0850 144.1076 144.2335 144.3682 144.9711 145.1920 145.3908 145.7836 145.9645 146.0983 146.3570 146.5809 146.9117 147.2561 147.5887 147.6646 148.0016 148.1661 148.1878 148.4624 148.7581 149.1525 149.5930 149.6941 149.9955 150.1643 150.5757 151.0460 151.2219 151.4178 151.8551 152.1825 152.3385 152.7531 153.1049 153.2451 153.8467 154.4186 154.5991 154.7370 154.9719 155.6536 156.3041 156.5173 156.7190 157.3121 157.4995 157.6638 158.0771 158.7735 159.3378 159.5099 159.6742 159.7788 159.9677 161.4061 161.5597 162.1296 162.2858 163.5776 164.1613 164.6995 165.7408 167.2407 168.3142 169.6026 171.8661 172.4350 173.1080 173.7976 174.0616 176.2132 177.7678 178.4275 180.3035 181.1888 182.2083 185.3536 186.3865 187.3607 187.5894 189.5175 189.8700 192.1151 192.2786 193.3793 195.8722 196.5638 199.4372 202.3286 205.0010 206.9283 206.9644 221.4746 221.8507 222.5349 223.0752 223.0817 223.6832 225.9319 226.1191 228.0468 229.4869 294.6361 294.9189 295.8460 297.2811 308.7029 313.4815 609.0637 618.1451 620.4363 626.0402 629.0938 631.5339 632.1214 633.7470 634.2511 635.2593 635.4437 636.2278 636.7727 637.1572 638.9755 640.3755 642.9115 647.6186 650.5486 657.4370 658.1577 702.0887 708.1221 1200.7389 1210.5017 1215.6914 -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 Cl Cl O O O 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 H -0.041240 -0.050873 -0.270184 -0.355461 -0.304570 0.067832 0.046306 -0.060782 -0.247007 -0.247522 -0.205961 0.300945 0.050057 0.067849 0.092629 -0.337089 -0.162016 0.297137 -0.101014 -0.186695 0.228890 -0.194594 -0.161365 -0.101332 -0.120263 -0.134207 0.084075 0.077289 0.093708 0.098910 0.071557 0.094242 0.081118 0.102620 0.095344 0.107460 0.102527 0.121854 0.104115 0.125836 0.133146 0.124275 0.133060 0.125802 0.127342 0.126249 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 Cl Cl O O O 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 H 17.0412 17.0509 8.2702 8.3555 8.3046 5.9322 5.9537 6.0608 6.2470 6.2475 6.2060 5.6991 5.9499 5.9322 5.9074 6.3371 6.1620 5.7029 6.1010 6.1867 5.7711 6.1946 6.1614 6.1013 6.1203 6.1342 0.9159 0.9227 0.9063 0.9011 0.9284 0.9058 0.9189 0.8974 0.9047 0.8925 0.8975 0.8781 0.8959 0.8742 0.8669 0.8757 0.8669 0.8742 0.8727 0.8738 17.0000 17.0000 8.0000 8.0000 8.0000 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 1.0000 -0.0412 -0.0509 -0.2702 -0.3555 -0.3046 0.0678 0.0463 -0.0608 -0.2470 -0.2475 -0.2060 0.3009 0.0501 0.0678 0.0926 -0.3371 -0.1620 0.2971 -0.1010 -0.1867 0.2289 -0.1946 -0.1614 -0.1013 -0.1203 -0.1342 0.0841 0.0773 0.0937 0.0989 0.0716 0.0942 0.0811 0.1026 0.0953 0.1075 0.1025 0.1219 0.1041 0.1258 0.1331 0.1243 0.1331 0.1258 0.1273 0.1262 1.2861 1.2540 2.1168 2.1480 2.0804 3.7750 3.8369 3.8155 3.9014 3.9080 3.9231 4.3179 4.2439 3.8560 3.6330 4.0374 4.0312 3.7521 3.9664 3.9678 3.8268 4.0317 3.9563 3.9395 3.9481 3.9513 1.0526 1.0338 1.0047 1.0029 1.0096 1.0028 1.0066 1.0189 1.0304 0.9890 1.0087 1.0301 1.0135 1.0006 1.0047 1.0123 1.0038 0.9994 0.9998 1.0000 1.2861 1.2540 2.1168 2.1480 2.0804 3.7750 3.8369 3.8155 3.9014 3.9080 3.9231 4.3179 4.2439 3.8560 3.6330 4.0374 4.0312 3.7521 3.9664 3.9678 3.8268 4.0317 3.9563 3.9395 3.9481 3.9513 1.0526 1.0338 1.0047 1.0029 1.0096 1.0028 1.0066 1.0189 1.0304 0.9890 1.0087 1.0301 1.0135 1.0006 1.0047 1.0123 1.0038 0.9994 0.9998 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 1.1975 1.1487 1.1493 0.8954 2.0050 0.9519 0.9515 0.9106 0.8654 0.9537 0.9572 0.9341 1.0204 0.9840 1.0241 1.0021 0.9885 0.9941 0.9868 0.9889 0.9918 0.9837 1.8730 0.9540 0.9287 0.9754 1.0173 1.3607 1.3947 1.4102 0.9856 1.4614 0.9737 1.3718 1.4390 0.9717 0.9576 1.4234 1.3776 1.4366 0.9726 1.4357 0.9671 1.4287 0.9741 1.4295 0.9725 0.9767 0 12 1 12 2 11 2 13 3 11 4 17 4 20 5 6 5 7 5 8 5 9 6 7 6 10 6 26 7 11 7 27 8 28 8 29 8 30 9 31 9 32 9 33 10 12 10 34 13 14 13 35 13 36 14 15 14 16 15 17 15 37 16 18 16 38 17 19 18 19 18 39 19 40 20 21 20 22 21 23 21 41 22 24 22 42 23 25 23 43 24 25 24 44 25 45 -0.023053604 -1958.448640587992 -16.83930 16.42491 -0.41438 40.03005 -38.64495 1.38510 3.33105 -3.61220 -0.28115 1.47285 3.74368