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:2.6659,.2085,-2.3589;4.4952,.6489,-.1727;-1.7672,-2.0388,1.2271;-1.4815,-2.3362,-.9713;-2.5294,3.0416,.6641;1.2911,-3.4817,-.1008;1.4584,-2.0489,-.5153;.3998,-2.4223,.5075;2.2956,-4.1156,.8328;.7565,-4.4515,-1.1276;2.5996,-1.2344,-.0844;-1.0265,-2.2683,.1377;3.1751,-.2683,-.7892;-3.1592,-1.8186,1.0206;-3.4509,-.4925,.3759;-2.8087,.6559,.823;-4.3931,-.405,-.6391;-3.1051,1.8813,.242;-4.7014,.8271,-1.1945;-4.0556,1.974,-.7657;-1.2031,3.0628,.9911;-.8375,3.7743,2.1245;-.2378,2.4532,.1978;.5035,3.8803,2.4622;1.098,2.5643,.55;1.4758,3.2742,1.6806;1.0604,-1.815,-1.496;.6205,-2.1706,1.5386;3.1834,-4.4333,.2836;2.6207,-3.4536,1.6346;1.863,-4.9992,1.3043;.0969,-3.9829,-1.8523;1.5898,-4.8999,-1.671;.2045,-5.2602,-.6451;3.013,-1.4164,.8997;-3.5952,-2.6304,.4338;-3.5904,-1.8602,2.0217;-2.0755,.5981,1.6185;-4.8773,-1.3015,-1.0047;-5.4346,.893,-1.9873;-4.2769,2.9377,-1.2046;-1.6025,4.2456,2.7279;-.5207,1.9023,-.6903;.7858,4.439,3.3449;1.8495,2.1012,-.0739;2.5214,3.3567,1.9444; 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 2610.9242488200 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 6.991e-06 Time for diagonalization 0.368 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.373 sec Total time needed 0.754 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:2.6659,.2085,-2.3589;4.4952,.6489,-.1727;-1.7672,-2.0388,1.2271;-1.4816,-2.3362,-.9713;-2.5294,3.0416,.6641;1.2911,-3.4817,-.1008;1.4584,-2.0489,-.5153;.3998,-2.4223,.5075;2.2956,-4.1156,.8328;.7565,-4.4515,-1.1276;2.5996,-1.2344,-.0844;-1.0265,-2.2683,.1377;3.1751,-.2683,-.7892;-3.1592,-1.8186,1.0206;-3.4509,-.4925,.3759;-2.8087,.6559,.823;-4.3931,-.405,-.6391;-3.1051,1.8813,.242;-4.7014,.8271,-1.1945;-4.0556,1.974,-.7657;-1.2031,3.0628,.9911;-.8375,3.7743,2.1245;-.2378,2.4532,.1978;.5035,3.8803,2.4622;1.098,2.5643,.55;1.4758,3.2742,1.6806;1.0604,-1.815,-1.496;.6205,-2.1706,1.5386;3.1834,-4.4333,.2836;2.6207,-3.4536,1.6346;1.863,-4.9992,1.3043;.0969,-3.9829,-1.8523;1.5898,-4.8999,-1.671;.2045,-5.2602,-.6451;3.013,-1.4164,.8997;-3.5952,-2.6304,.4338;-3.5904,-1.8602,2.0217;-2.0755,.5981,1.6185;-4.8773,-1.3015,-1.0047;-5.4346,.893,-1.9873;-4.2769,2.9377,-1.2046;-1.6025,4.2456,2.7279;-.5207,1.9023,-.6903;.7858,4.439,3.3449;1.8495,2.1012,-.0739;2.5214,3.3567,1.9444; 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:2.6659,.2085,-2.3589;4.4952,.6489,-.1727;-1.7672,-2.0388,1.2271;-1.4815,-2.3362,-.9713;-2.5294,3.0416,.6641;1.2911,-3.4817,-.1008;1.4584,-2.0489,-.5153;.3998,-2.4223,.5075;2.2956,-4.1156,.8328;.7565,-4.4515,-1.1276;2.5996,-1.2344,-.0844;-1.0265,-2.2683,.1377;3.1751,-.2683,-.7892;-3.1592,-1.8186,1.0206;-3.4509,-.4925,.3759;-2.8087,.6559,.823;-4.3931,-.405,-.6391;-3.1051,1.8813,.242;-4.7014,.8271,-1.1945;-4.0556,1.974,-.7657;-1.2031,3.0628,.9911;-.8375,3.7743,2.1245;-.2378,2.4532,.1978;.5035,3.8803,2.4622;1.098,2.5643,.55;1.4758,3.2742,1.6806;1.0604,-1.815,-1.496;.6205,-2.1706,1.5386;3.1834,-4.4333,.2836;2.6207,-3.4536,1.6346;1.863,-4.9992,1.3043;.0969,-3.9829,-1.8523;1.5898,-4.8999,-1.671;.2045,-5.2602,-.6451;3.013,-1.4164,.8997;-3.5952,-2.6304,.4338;-3.5904,-1.8602,2.0217;-2.0755,.5981,1.6185;-4.8773,-1.3015,-1.0047;-5.4346,.893,-1.9873;-4.2769,2.9377,-1.2046;-1.6025,4.2456,2.7279;-.5207,1.9023,-.6903;.7858,4.439,3.3449;1.8495,2.1012,-.0739;2.5214,3.3567,1.9444; -1958.42642080 2610.92424882 -4569.35066962 -7875.03252269 3305.68185307 -3911.04521403 1952.61879323 2.00297428 102.000086417220 102.000086417220 204.000172834440 -143.514891400430 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 -2765.7177 -2765.6812 -524.7732 -524.4295 -522.9927 -283.3316 -282.9194 -281.5110 -281.4720 -281.4382 -280.8117 -280.5716 -280.5371 -280.4586 -280.1759 -279.8766 -279.8200 -279.7985 -279.7820 -279.7783 -279.7184 -279.7124 -279.6940 -279.6879 -279.6207 -279.4955 -260.9845 -260.9474 -199.8268 -199.7913 -199.5814 -199.5716 -199.5419 -199.5355 -33.6944 -32.8477 -31.1338 -28.5360 -27.8056 -26.9606 -26.5452 -26.0728 -24.7504 -24.2883 -23.9837 -23.6374 -23.5494 -23.1051 -22.6232 -22.2776 -20.8884 -20.4507 -19.8077 -19.5891 -19.0161 -18.7956 -18.3325 -18.0651 -17.8405 -17.0898 -16.7571 -16.4495 -16.2283 -16.1019 -15.9857 -15.8751 -15.7557 -15.6124 -15.0649 -14.9344 -14.8072 -14.7196 -14.5209 -14.4387 -14.2154 -13.9653 -13.9178 -13.8206 -13.6726 -13.5079 -13.3106 -13.0693 -12.9613 -12.7525 -12.4774 -12.4044 -12.3505 -12.2639 -11.9987 -11.9300 -11.7815 -11.5837 -11.5065 -11.2530 -11.1187 -10.6378 -10.3284 -9.5378 -9.2924 -9.1975 -8.9727 -8.3504 1.2204 1.3648 1.6132 1.8464 2.1791 2.3629 2.5090 2.8210 3.2247 3.5221 3.6402 3.9340 4.0178 4.1156 4.2512 4.4444 4.6132 4.6654 4.7074 4.7481 4.8864 4.9644 5.1268 5.2646 5.2819 5.5370 5.7788 5.9055 5.9908 6.1068 6.1219 6.1491 6.3838 6.5071 6.5217 6.5975 6.7666 6.8540 7.0257 7.1400 7.4102 7.4857 7.5892 7.6654 7.6960 7.8617 7.9947 8.0318 8.1028 8.2715 8.4987 8.5408 8.5642 8.7061 8.8357 8.9607 9.1003 9.2122 9.3050 9.4421 9.5516 9.6168 9.7411 9.8637 9.9724 10.0917 10.2388 10.3023 10.3988 10.5116 10.5691 10.6918 10.8150 11.0346 11.0487 11.1825 11.2723 11.4123 11.4945 11.5775 11.6210 11.7558 11.8700 11.9476 11.9820 12.0645 12.1305 12.2009 12.2201 12.4646 12.4970 12.6231 12.7350 12.8147 12.8675 12.9637 13.1066 13.1400 13.2097 13.3029 13.3960 13.4934 13.5069 13.6543 13.6820 13.7939 13.9157 14.0430 14.0883 14.1728 14.2119 14.3781 14.4127 14.5640 14.6187 14.7525 14.7814 14.9502 15.0055 15.1769 15.3120 15.4246 15.4329 15.4626 15.6709 15.8339 15.9058 16.0733 16.0998 16.1547 16.1893 16.2599 16.3136 16.5624 16.6065 16.6863 16.7799 16.9261 16.9389 17.1343 17.2554 17.4286 17.5791 17.7019 17.9774 18.0735 18.1717 18.4385 18.5141 18.6946 18.8576 18.8918 19.1601 19.3345 19.5232 19.5864 19.7562 20.0096 20.0720 20.2808 20.3488 20.5499 20.6188 20.7076 20.8081 20.9942 21.1278 21.2130 21.3780 21.4060 21.5573 21.7277 21.8623 21.9827 22.0385 22.1288 22.2518 22.3235 22.4777 22.5757 22.6050 22.8010 23.1607 23.2384 23.4405 23.5668 23.6952 23.7678 24.0104 24.0414 24.1968 24.3937 24.4257 24.5431 24.7575 24.8523 25.0122 25.3449 25.4402 25.6514 25.7961 25.9440 26.0560 26.1685 26.3822 26.6067 26.7224 26.9636 27.0405 27.2968 27.4611 27.5927 27.6952 27.7817 27.9523 28.0455 28.2103 28.3256 28.4968 28.7969 28.9044 28.9957 29.1494 29.3030 29.5688 29.6173 29.6949 29.7104 30.1020 30.2024 30.2608 30.4061 30.4960 30.5676 30.7319 30.7662 30.8447 31.0431 31.2925 31.5056 31.5359 31.6678 31.8147 31.9572 32.1595 32.3237 32.4265 32.5242 32.6373 32.8031 32.9239 32.9933 33.2648 33.3979 33.4581 33.7572 33.8251 33.9820 34.0569 34.2648 34.3866 34.6365 34.6438 34.8830 34.9712 35.1476 35.3198 35.7411 35.8376 35.8789 36.0130 36.0566 36.1116 36.3484 36.4648 36.5452 36.5920 36.7128 36.8822 37.1009 37.4193 37.5822 37.6532 37.8687 37.9489 38.1066 38.3130 38.4069 38.4905 38.5552 38.6743 38.7679 38.9242 39.0954 39.2230 39.3230 39.4236 39.5385 39.7103 39.8711 40.0708 40.2641 40.5140 40.5964 40.7772 40.9127 41.0632 41.1229 41.3123 41.4915 41.5040 41.7814 41.9682 42.1344 42.2400 42.3432 42.5318 42.6573 42.9096 43.0442 43.1930 43.3133 43.5088 43.5297 43.6191 43.9051 43.9634 44.0037 44.2920 44.4002 44.4683 44.6002 44.7113 44.8923 44.9875 45.1077 45.4260 45.5429 45.6850 45.8644 45.9423 46.2364 46.4452 46.5973 46.6512 46.8770 46.9936 47.0592 47.2908 47.4787 47.6181 47.7359 47.8933 48.2208 48.3782 48.5911 48.7149 48.7717 48.9810 49.0088 49.1526 49.2054 49.4749 49.8940 50.1384 50.2578 50.4603 50.6110 50.7317 50.8948 51.1553 51.2673 51.3418 51.3776 51.5322 51.6000 51.8673 52.0856 52.1033 52.4743 52.5005 52.6896 52.7606 53.0763 53.3183 53.4037 53.7538 54.0459 54.3963 54.7254 54.8504 54.9171 55.3206 55.4679 55.4965 55.6698 55.9950 56.3014 56.3552 56.5462 56.7500 57.1256 57.2152 57.3487 57.4271 57.5690 57.7940 57.8074 58.0609 58.1015 58.3204 58.6396 58.9719 59.1417 59.1685 59.3957 59.5806 59.6620 59.7194 60.0452 60.2621 60.2830 60.7279 60.7855 60.9487 61.2433 61.4696 61.7786 61.8814 62.0981 62.3023 62.6110 62.8496 63.4610 63.5502 63.6351 63.7756 63.9934 64.2218 64.3736 64.5093 64.8513 64.9557 64.9998 65.2594 65.3173 65.6696 65.7349 65.8669 66.0693 66.3236 66.3504 66.6421 66.7593 67.2603 67.4264 67.5987 67.8703 67.9925 68.2389 68.3129 68.4888 68.8479 68.9922 69.2894 69.4123 69.6344 69.9234 70.1161 70.5373 70.7524 71.3255 71.6361 71.8039 72.1645 72.4269 72.6882 72.7813 73.1899 73.2431 73.7597 74.1218 74.1807 74.2713 74.5784 74.7448 74.9469 75.2082 75.4388 75.5150 75.7671 75.9839 76.4013 76.5178 76.6153 76.7212 76.9524 77.0355 77.2123 77.3734 77.5893 77.6874 77.9767 78.1907 78.3229 78.3666 78.4852 78.7801 78.8516 78.9331 79.1294 79.2340 79.4424 79.6017 79.7093 79.7952 79.8578 79.9680 80.1162 80.2537 80.6798 80.8028 80.8855 80.9137 81.2319 81.4068 81.5186 81.6465 81.9058 81.9690 82.1175 82.2098 82.3952 82.4609 82.5289 82.6903 82.7409 82.9826 83.0724 83.1873 83.4131 83.6258 83.8638 84.0522 84.2418 84.2707 84.4684 84.6550 84.8333 84.9847 85.1074 85.2535 85.3135 85.3456 85.4000 85.5403 85.7926 85.8557 86.0352 86.1746 86.2172 86.3429 86.4142 86.6500 86.7489 86.8114 87.0006 87.0729 87.2442 87.4419 87.7319 87.8008 87.9217 88.1606 88.3862 88.4993 88.5567 88.7606 88.8778 88.9994 89.2323 89.2603 89.3473 89.4023 89.4928 89.6224 89.8044 90.0238 90.1229 90.1895 90.3168 90.4626 90.7238 90.8415 90.9740 90.9994 91.2506 91.3557 91.7173 91.8228 91.9380 92.0570 92.0832 92.4396 92.5515 92.6790 92.8279 92.9288 93.0212 93.0681 93.2051 93.3075 93.4720 93.5733 93.7262 93.7564 93.8720 94.0337 94.0839 94.3521 94.4266 94.5329 94.6103 94.9663 94.9962 95.0552 95.1990 95.3243 95.4430 95.5221 95.8177 95.9722 96.1160 96.1633 96.4081 96.6311 96.6920 96.8380 96.9691 97.1269 97.2086 97.3887 97.5745 97.6318 97.7895 97.9132 98.0918 98.1500 98.5135 98.6742 98.7140 98.8098 98.9421 99.1049 99.1226 99.3886 99.6448 99.8355 99.9295 100.3612 100.5095 100.6995 100.8165 100.8801 100.9672 101.3860 101.6797 101.7539 101.8365 101.9765 102.3037 102.5152 102.5471 102.6991 102.9230 103.1544 103.4446 103.5170 103.7185 104.0443 104.1882 104.2834 104.4511 104.8011 105.1843 105.2182 105.2981 105.4605 105.5787 105.6499 105.6936 105.8611 106.1193 106.1650 106.3071 106.4830 106.6653 106.7876 106.8241 106.9542 107.1623 107.4117 107.4705 107.7048 107.8625 108.0214 108.1834 108.3597 108.4334 108.7220 108.8578 109.0388 109.1936 109.3405 109.4977 109.8216 109.9441 110.0997 110.3705 110.6285 110.7229 110.9631 111.0829 111.1846 111.2468 111.4787 111.7310 111.8028 111.8714 112.1686 112.3971 112.5924 112.7408 112.9671 113.1883 113.4119 113.4379 113.6170 113.8251 114.0896 114.2970 114.5379 114.6734 114.7034 114.8548 114.9718 115.2005 115.4991 115.7762 115.8862 116.1454 116.2308 116.3835 116.4426 116.6259 116.6831 116.8865 117.0418 117.2322 117.2514 117.4644 117.5873 117.6833 117.8527 117.8753 118.1788 118.2045 118.3373 118.4862 118.6080 118.7291 118.8727 118.9465 119.4302 119.5035 119.7474 119.8776 120.0186 120.1103 120.2466 120.5130 120.5727 120.9163 121.0545 121.4594 121.6142 121.8387 121.9719 122.0125 122.3285 122.4376 122.8890 123.0568 123.2621 123.3816 123.6209 123.6946 123.9137 124.3868 124.6484 125.4655 125.5054 125.9798 126.0606 126.1333 126.6374 126.7142 127.1750 127.7779 128.1504 128.3986 128.6065 128.7107 129.0511 129.3544 129.5131 129.5794 129.7122 129.7977 130.0381 130.2470 130.5993 130.6807 130.7953 131.0326 131.3588 131.4779 131.5382 131.6726 131.8161 131.9230 132.2517 132.2632 132.9364 133.0408 133.1365 133.2051 134.0842 134.1785 134.3263 134.7946 135.1615 135.2013 135.4199 135.7398 136.1163 136.3760 136.4944 136.9212 137.2821 137.7642 137.9459 138.1718 138.3307 138.6556 138.7641 139.0647 139.3076 139.5235 139.8666 140.1391 140.5330 140.7408 141.2054 141.5092 141.6177 142.4047 142.9677 143.2960 143.7958 143.9919 144.2954 144.3800 144.5417 144.7962 144.9285 145.0553 145.4610 145.6411 146.0603 146.1205 146.3643 146.5521 146.7505 147.1082 147.4468 147.9273 148.1344 148.4601 148.6005 148.7241 149.1885 149.2251 149.4203 149.7310 150.1790 150.5767 150.7149 150.9894 151.2217 151.4001 151.9107 152.1046 152.7564 152.8580 153.3490 153.3903 153.5644 154.2227 154.4803 154.7553 155.3341 155.7426 156.1645 156.4659 156.6556 157.1954 157.4448 157.4652 158.0740 158.4839 158.9674 159.2029 159.3708 159.7410 160.5114 161.6629 161.9102 162.3619 162.5647 163.6229 163.7564 164.3833 165.7048 167.2771 168.6457 170.0360 171.7274 172.5841 173.3633 173.4328 174.8558 176.7495 177.9020 179.1161 180.1521 180.9663 182.4548 185.5023 186.4153 187.1484 187.5660 189.0821 189.9308 192.3750 192.5302 193.5002 196.1111 196.6276 199.2966 202.2211 205.2679 206.4725 207.1734 221.5606 221.8124 222.7831 223.0792 223.3387 224.7090 225.8553 226.0576 228.1458 229.7614 295.7035 295.8956 296.1301 297.4101 308.7262 314.5530 609.6961 618.5498 620.0857 625.3343 629.1499 631.3038 632.2252 634.2278 634.4379 635.5054 635.5203 636.3407 636.8776 637.1546 639.5679 640.5892 642.8624 646.9938 650.1253 657.4731 658.4311 704.4090 710.0758 1200.5422 1209.4148 1215.3051 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 -0.044319 -0.052467 -0.276002 -0.372879 -0.302094 0.064336 0.050141 -0.068420 -0.253141 -0.247936 -0.181845 0.333985 0.029231 0.072990 0.052331 -0.209981 -0.158347 0.219303 -0.088614 -0.208356 0.239771 -0.212583 -0.165247 -0.083177 -0.093354 -0.165954 0.087653 0.077915 0.099503 0.073774 0.093189 0.105258 0.086753 0.085179 0.094678 0.099788 0.108912 0.125925 0.102758 0.123723 0.126254 0.124337 0.131960 0.123927 0.128505 0.122635 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 17.0443 17.0525 8.2760 8.3729 8.3021 5.9357 5.9499 6.0684 6.2531 6.2479 6.1818 5.6660 5.9708 5.9270 5.9477 6.2100 6.1583 5.7807 6.0886 6.2084 5.7602 6.2126 6.1652 6.0832 6.0934 6.1660 0.9123 0.9221 0.9005 0.9262 0.9068 0.8947 0.9132 0.9148 0.9053 0.9002 0.8911 0.8741 0.8972 0.8763 0.8737 0.8757 0.8680 0.8761 0.8715 0.8774 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 -0.0443 -0.0525 -0.2760 -0.3729 -0.3021 0.0643 0.0501 -0.0684 -0.2531 -0.2479 -0.1818 0.3340 0.0292 0.0730 0.0523 -0.2100 -0.1583 0.2193 -0.0886 -0.2084 0.2398 -0.2126 -0.1652 -0.0832 -0.0934 -0.1660 0.0877 0.0779 0.0995 0.0738 0.0932 0.1053 0.0868 0.0852 0.0947 0.0998 0.1089 0.1259 0.1028 0.1237 0.1263 0.1243 0.1320 0.1239 0.1285 0.1226 1.2802 1.2499 2.1216 2.1291 2.1044 3.7861 3.8116 3.8336 3.9136 3.9106 3.9228 4.2465 4.2422 3.8577 3.6807 3.9341 4.0140 3.8414 3.9500 4.0415 3.8209 4.0382 3.9466 3.9266 3.8942 3.9903 1.0479 1.0352 1.0019 1.0100 1.0039 1.0237 1.0009 1.0023 1.0335 1.0102 0.9876 1.0209 1.0136 0.9996 1.0121 1.0139 1.0093 0.9986 1.0091 1.0042 1.2802 1.2499 2.1216 2.1291 2.1044 3.7861 3.8116 3.8336 3.9136 3.9106 3.9228 4.2465 4.2422 3.8577 3.6807 3.9341 4.0140 3.8414 3.9500 4.0415 3.8209 4.0382 3.9466 3.9266 3.8942 3.9903 1.0479 1.0352 1.0019 1.0100 1.0039 1.0237 1.0009 1.0023 1.0335 1.0102 0.9876 1.0209 1.0136 0.9996 1.0121 1.0139 1.0093 0.9986 1.0091 1.0042 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1716 1.1273 1.1388 0.8861 1.9631 0.9729 0.9505 0.9252 0.8800 0.9486 0.9623 0.8841 1.0199 0.9887 1.0201 1.0160 0.9952 0.9889 0.9882 0.9845 0.9890 0.9900 1.8740 0.9519 0.9253 1.0145 0.9755 1.3594 1.4052 1.3920 0.9585 1.4476 0.9709 1.4218 1.4452 0.9763 0.9711 1.4221 1.3763 1.4378 0.9719 1.4231 0.9618 1.4325 0.9769 1.4317 0.9606 0.9796 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 -0.025027765 -1958.451448562950 -15.34296 15.36757 0.02460 -18.12232 17.15582 -0.96650 9.56351 -8.81058 0.75292 1.22541 3.11473