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:1.314,-.1055,2.0981;4.1285,.4501,1.7655;-1.3519,-1.8152,-.33;-1.0802,-3.7005,.8392;-2.1049,3.1123,-.0967;1.4193,-2.6327,-1.5033;1.4354,-1.3959,-.665;.8282,-2.661,-.1061;2.6996,-3.4128,-1.681;.5198,-2.672,-2.7159;2.6766,-.85,-.075;-.6193,-2.8026,.1888;2.7054,-.2546,1.1089;-2.7365,-1.7564,-.0102;-3.2212,-.3717,-.3294;-2.4111,.725,-.0574;-4.4908,-.1756,-.855;-2.8636,2.0064,-.3358;-4.9471,1.1127,-1.0971;-4.139,2.2084,-.8497;-.7418,2.9894,-.1423;-.007,3.3378,.9784;-.1055,2.5513,-1.2979;1.3776,3.244,.9441;1.2763,2.4571,-1.3178;2.0232,2.7996,-.1986;.7191,-.6294,-.9508;1.4263,-3.2012,.6192;3.2917,-3.0038,-2.5024;3.322,-3.4062,-.7857;2.4817,-4.4547,-1.9193;1.0738,-2.3507,-3.5993;.1635,-3.6864,-2.9028;-.3472,-2.023,-2.6194;3.5995,-.8926,-.6413;-3.2911,-2.5065,-.5803;-2.8845,-1.9827,1.0493;-1.4247,.5796,.3644;-5.1245,-1.0247,-1.0788;-5.9379,1.2641,-1.5042;-4.4819,3.2135,-1.0563;-.5193,3.675,1.8698;-.6873,2.2869,-2.1718;1.9514,3.5075,1.8224;1.7732,2.1155,-2.2165;3.1012,2.7169,-.2166; 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 2709.6847445409 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 6.010e-06 Time for diagonalization 0.349 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.314 sec Total time needed 0.670 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:1.314,-.1055,2.0981;4.1285,.4501,1.7655;-1.3519,-1.8152,-.33;-1.0802,-3.7005,.8392;-2.1049,3.1123,-.0967;1.4193,-2.6327,-1.5033;1.4354,-1.3959,-.665;.8282,-2.661,-.1061;2.6996,-3.4128,-1.681;.5198,-2.672,-2.7159;2.6766,-.85,-.075;-.6193,-2.8026,.1888;2.7054,-.2546,1.1089;-2.7365,-1.7564,-.0102;-3.2212,-.3717,-.3294;-2.4111,.725,-.0574;-4.4908,-.1756,-.855;-2.8636,2.0064,-.3358;-4.9471,1.1127,-1.0971;-4.139,2.2084,-.8497;-.7418,2.9894,-.1423;-.007,3.3378,.9784;-.1055,2.5513,-1.2979;1.3776,3.244,.9441;1.2763,2.4571,-1.3178;2.0232,2.7996,-.1986;.7191,-.6294,-.9508;1.4263,-3.2012,.6192;3.2917,-3.0038,-2.5024;3.322,-3.4062,-.7857;2.4817,-4.4547,-1.9193;1.0738,-2.3507,-3.5993;.1635,-3.6864,-2.9028;-.3472,-2.023,-2.6194;3.5995,-.8926,-.6413;-3.2911,-2.5065,-.5803;-2.8845,-1.9827,1.0493;-1.4247,.5796,.3644;-5.1245,-1.0247,-1.0788;-5.9379,1.2641,-1.5042;-4.4819,3.2135,-1.0563;-.5193,3.675,1.8698;-.6873,2.2869,-2.1718;1.9514,3.5075,1.8224;1.7732,2.1155,-2.2165;3.1012,2.7169,-.2166; 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:1.314,-.1055,2.0981;4.1285,.4501,1.7655;-1.3519,-1.8152,-.33;-1.0802,-3.7005,.8392;-2.1049,3.1123,-.0967;1.4193,-2.6327,-1.5033;1.4354,-1.3959,-.665;.8282,-2.661,-.1061;2.6996,-3.4128,-1.681;.5198,-2.672,-2.7159;2.6766,-.85,-.075;-.6193,-2.8026,.1888;2.7054,-.2546,1.1089;-2.7365,-1.7564,-.0102;-3.2212,-.3717,-.3294;-2.4111,.725,-.0574;-4.4908,-.1756,-.855;-2.8636,2.0064,-.3358;-4.9471,1.1127,-1.0971;-4.139,2.2084,-.8497;-.7418,2.9894,-.1423;-.007,3.3378,.9784;-.1055,2.5513,-1.2979;1.3776,3.244,.9441;1.2763,2.4571,-1.3178;2.0232,2.7996,-.1986;.7191,-.6294,-.9508;1.4263,-3.2012,.6192;3.2917,-3.0038,-2.5024;3.322,-3.4062,-.7857;2.4817,-4.4547,-1.9193;1.0738,-2.3507,-3.5993;.1635,-3.6864,-2.9028;-.3472,-2.023,-2.6194;3.5995,-.8926,-.6413;-3.2911,-2.5065,-.5803;-2.8845,-1.9827,1.0493;-1.4247,.5796,.3644;-5.1245,-1.0247,-1.0788;-5.9379,1.2641,-1.5042;-4.4819,3.2135,-1.0563;-.5193,3.675,1.8698;-.6873,2.2869,-2.1718;1.9514,3.5075,1.8224;1.7732,2.1155,-2.2165;3.1012,2.7169,-.2166; -1958.42140970 2709.68474454 -4668.10615424 -8072.31935839 3404.21320415 -3911.04835305 1952.62694336 2.00296752 101.999928124483 101.999928124483 203.999856248967 -143.518108821563 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 -2765.7194 -2765.6920 -524.7213 -524.5241 -522.8654 -283.2422 -282.9416 -281.6135 -281.5230 -281.4706 -280.7192 -280.4615 -280.4181 -280.3133 -280.2707 -279.9981 -279.9759 -279.9389 -279.9151 -279.8421 -279.7987 -279.7828 -279.7811 -279.7780 -279.7408 -279.6099 -260.9859 -260.9591 -199.8294 -199.8012 -199.5804 -199.5745 -199.5570 -199.5457 -33.6371 -32.9402 -31.0301 -28.5678 -27.7363 -27.0492 -26.6897 -26.0904 -24.8199 -24.2333 -24.0513 -23.7978 -23.4968 -23.1952 -22.5119 -22.2937 -20.9351 -20.5395 -19.9312 -19.5900 -19.0619 -18.9014 -18.4334 -18.0295 -17.8197 -17.1136 -16.7632 -16.5527 -16.2973 -16.2213 -16.2002 -15.9550 -15.8073 -15.4761 -15.0459 -15.0434 -14.8362 -14.7333 -14.4433 -14.4130 -14.2585 -14.0710 -13.9872 -13.9264 -13.5552 -13.4661 -13.3317 -13.1438 -12.9413 -12.7701 -12.6615 -12.5229 -12.4753 -12.2017 -12.0445 -11.9507 -11.7443 -11.6315 -11.4070 -11.0982 -11.0539 -10.7138 -9.9756 -9.6294 -9.4788 -9.2343 -9.1727 -8.5052 1.1144 1.3509 1.5300 1.7518 2.0421 2.2922 2.5179 2.7541 3.2834 3.5002 3.5836 3.8102 3.9365 4.0473 4.1128 4.2553 4.3260 4.6212 4.6565 4.7966 4.9274 5.1328 5.1604 5.1794 5.2341 5.5185 5.7818 5.8413 5.8739 5.9979 6.1483 6.2242 6.3894 6.4847 6.5553 6.6456 6.7678 6.9253 6.9446 7.2498 7.3985 7.5318 7.6840 7.7248 7.7902 7.9058 7.9579 8.1945 8.2603 8.3923 8.4851 8.5537 8.6036 8.6849 8.7147 9.0047 9.0570 9.1532 9.2871 9.4481 9.5089 9.6094 9.7027 9.7547 9.8836 10.0294 10.1434 10.2991 10.3368 10.5845 10.6497 10.7659 10.8440 10.9723 11.0308 11.2490 11.3466 11.4002 11.4592 11.5408 11.5930 11.6825 11.8697 11.9135 11.9701 12.1044 12.2138 12.3444 12.5166 12.6112 12.6602 12.8279 12.8918 12.9190 12.9823 13.0550 13.2393 13.3169 13.4393 13.4742 13.6112 13.6895 13.8019 13.8626 13.8715 13.9610 14.0411 14.1123 14.1188 14.2851 14.3964 14.5119 14.5285 14.6199 14.7437 14.9003 14.9538 15.0665 15.1897 15.3104 15.3589 15.5215 15.5883 15.7173 15.7742 15.8317 15.9216 16.0600 16.2631 16.3092 16.3723 16.4616 16.6347 16.6895 16.8178 16.8689 16.9238 17.1217 17.1788 17.4213 17.6154 17.7288 17.8745 18.0800 18.1428 18.1965 18.4025 18.4176 18.7059 18.9638 19.0225 19.0361 19.2832 19.5818 19.7049 19.8970 20.0104 20.0895 20.2760 20.3846 20.4816 20.6076 20.6587 20.7980 20.9173 20.9792 21.2649 21.3510 21.5455 21.6771 21.7658 21.9006 21.9629 22.1666 22.3264 22.3893 22.6167 22.6516 22.7447 23.0283 23.1664 23.3502 23.4208 23.5267 23.6711 23.7408 23.8751 23.9230 24.2101 24.3668 24.4244 24.5976 24.7216 24.8929 25.0424 25.0785 25.1592 25.4666 25.6387 25.7851 25.9717 26.1349 26.2284 26.4861 26.7403 26.7982 26.9267 27.0572 27.1800 27.2438 27.5391 27.7893 27.8957 27.9791 28.2178 28.4584 28.4756 28.5609 28.8119 28.9004 28.9448 29.1624 29.2147 29.3423 29.4697 29.6055 29.6515 29.8387 29.9503 30.3023 30.4190 30.5866 30.6748 30.8388 30.9721 31.2573 31.3397 31.4747 31.5946 31.6870 31.8150 32.0058 32.0877 32.1497 32.2461 32.3279 32.4679 32.6016 32.7220 32.9380 33.0571 33.1371 33.2394 33.5687 33.7196 33.7735 33.9493 34.1263 34.3774 34.4318 34.6114 34.7389 34.8410 34.9544 35.1304 35.3346 35.5499 35.7958 35.8066 36.0246 36.1954 36.5080 36.5883 36.7025 36.8075 36.9676 37.1527 37.1778 37.3636 37.5836 37.6072 37.6768 37.8035 37.9475 38.0818 38.1427 38.2705 38.3727 38.4041 38.6179 38.7290 38.7756 39.0492 39.1581 39.3049 39.3596 39.5539 39.6601 39.7832 40.0173 40.2246 40.3518 40.6550 40.7968 40.8645 41.0568 41.1324 41.2818 41.3743 41.6331 41.8135 42.0046 42.1492 42.2754 42.3842 42.5007 42.7377 42.8849 42.9846 43.0607 43.2305 43.3927 43.5546 43.7221 43.7766 43.9134 43.9818 44.1089 44.3249 44.4470 44.5855 44.7957 44.8184 45.0738 45.2128 45.4274 45.5505 45.7822 45.9176 46.1065 46.1546 46.3285 46.4378 46.6486 46.8423 46.9021 47.0042 47.2223 47.5281 47.5969 47.8614 47.9128 48.2278 48.4831 48.6396 48.6788 49.0011 49.0771 49.1994 49.3066 49.3962 49.5965 49.8730 49.9720 50.2828 50.6478 50.7874 50.8613 51.0359 51.0940 51.3498 51.4185 51.5944 51.6275 51.9586 52.2127 52.4164 52.5068 52.6244 52.7737 53.0682 53.1626 53.3310 53.4596 53.7414 53.9444 54.3196 54.3410 54.6321 54.9791 55.1454 55.4305 55.6233 55.6814 55.7700 55.9514 56.0607 56.3214 56.5939 57.0164 57.0803 57.1175 57.2262 57.4536 57.4705 57.8672 57.9427 58.0828 58.1099 58.3989 58.6118 58.8025 58.8352 59.0973 59.3190 59.5515 59.7051 59.8598 60.1969 60.2650 60.4793 60.6817 60.9193 61.0709 61.2960 61.5011 61.7658 61.9797 62.3554 62.4569 62.7488 63.0900 63.3061 63.4161 63.5187 63.6610 63.9975 64.0781 64.2934 64.7259 64.7559 64.9906 65.1737 65.5061 65.5544 65.8440 66.0127 66.1416 66.1746 66.4136 66.4516 66.6862 66.8776 67.0920 67.1961 67.6242 67.7410 67.8660 68.0013 68.2031 68.2539 68.7094 68.9030 69.2319 69.3342 69.4601 69.7480 70.0657 70.2428 70.5557 71.1093 71.1958 71.7157 71.8505 71.9729 72.4160 72.6086 72.7695 73.0375 73.4928 73.6286 74.2100 74.5014 74.5935 74.7476 74.9684 75.1351 75.3924 75.4984 75.6157 76.0672 76.2578 76.2694 76.5273 76.7065 76.9092 77.1382 77.2044 77.2770 77.4611 77.6155 77.7787 77.8993 77.9347 78.0121 78.1566 78.5118 78.7154 78.9355 78.9509 79.0992 79.2309 79.4450 79.6170 79.7911 79.9067 80.2271 80.2899 80.4407 80.6726 80.8403 81.0452 81.1288 81.3798 81.5087 81.7899 82.0314 82.1269 82.1473 82.2582 82.3153 82.3524 82.4021 82.6741 82.8309 82.8342 83.0843 83.2369 83.3775 83.4508 83.4903 84.0259 84.1582 84.1848 84.3530 84.5234 84.6455 84.7642 85.0159 85.2481 85.2750 85.3736 85.5435 85.7406 85.8178 85.8813 85.9361 86.0182 86.2289 86.2585 86.4196 86.6952 86.7540 86.9849 87.0063 87.1947 87.2073 87.3897 87.4827 87.6148 87.8379 87.9747 88.0423 88.3061 88.4130 88.5805 88.6984 88.8948 88.9314 89.1146 89.1274 89.2663 89.4358 89.4632 89.5811 89.7112 89.8810 89.9718 90.1330 90.2900 90.4418 90.6243 90.8405 90.9570 91.1033 91.2681 91.5048 91.6381 91.8216 91.8390 91.9558 92.2341 92.4406 92.5358 92.5714 92.7483 92.8845 92.9568 93.0862 93.1676 93.3249 93.4552 93.4962 93.6866 93.7915 93.9935 94.0729 94.1282 94.3403 94.5412 94.6628 94.8202 94.9315 95.0702 95.1494 95.1595 95.3551 95.4828 95.6109 95.9411 96.0136 96.1781 96.2327 96.3677 96.4765 96.6726 96.8565 96.9916 97.0693 97.1385 97.3044 97.4409 97.5531 97.7133 97.8117 97.9307 98.0156 98.1378 98.3272 98.4861 98.6187 98.7406 98.8835 98.9868 99.1646 99.4503 99.4917 99.5356 99.8915 100.0613 100.4287 100.5204 100.7078 100.9246 101.0441 101.4695 101.5462 101.6910 101.8116 102.1305 102.2298 102.4454 102.6106 102.6388 102.9980 103.0600 103.3222 103.6071 104.0249 104.2121 104.2539 104.5363 104.7178 104.8580 105.0433 105.1019 105.3097 105.3517 105.5521 105.7182 105.7895 105.8630 105.9410 106.0857 106.1575 106.3012 106.5156 106.5782 106.9410 107.0525 107.2821 107.3318 107.5113 107.6374 108.1242 108.3360 108.5417 108.5777 108.6339 109.0495 109.1265 109.2593 109.4882 109.6228 109.7066 109.9470 109.9765 110.3192 110.4615 110.7833 110.9070 111.0619 111.2033 111.2610 111.6868 111.7965 111.9050 112.1457 112.2196 112.3179 112.5695 112.7110 112.8008 113.0596 113.2182 113.4738 113.7879 113.8447 114.0807 114.2420 114.3662 114.7650 114.8494 114.9607 115.0634 115.2377 115.3296 115.6694 115.8830 116.0039 116.0656 116.2297 116.4525 116.6159 116.7740 116.9217 117.0261 117.2865 117.4586 117.6049 117.7307 117.7473 117.9435 118.0975 118.2212 118.2616 118.3052 118.5288 118.6229 118.8640 118.9347 119.1636 119.2674 119.5279 119.6054 119.8199 120.0067 120.1540 120.3075 120.3381 120.5831 120.7605 120.9650 121.1568 121.2377 121.4292 121.6191 121.6850 122.0161 122.2610 122.5794 122.8526 122.9643 123.0380 123.4008 123.4327 123.7645 124.0605 124.3585 124.6975 125.2613 125.4018 125.6770 126.0998 126.2613 126.7710 127.0139 127.1883 127.8843 128.0613 128.2683 128.5290 128.7300 128.9157 129.1252 129.2435 129.4197 129.7228 129.9748 130.1739 130.2839 130.5842 130.6911 130.9208 131.1549 131.4883 131.5574 131.7033 131.7783 132.2081 132.3495 132.8001 132.8386 132.9319 133.0430 133.3008 133.7534 134.0535 134.1497 134.1990 134.7765 135.0289 135.3064 135.5086 135.7038 135.9271 136.0177 136.6271 137.2669 137.4748 137.6573 137.9841 138.1418 138.3081 138.5090 139.0620 139.1729 139.5220 139.9765 140.2078 140.3931 140.5170 140.9213 141.2442 141.7996 142.0774 142.5256 143.0234 143.8915 144.1572 144.3478 144.4198 144.5345 144.6271 144.7588 144.8870 145.1389 145.3202 145.6123 145.8504 146.0711 146.2308 146.7329 147.1136 147.4710 147.9095 148.1737 148.3006 148.4820 148.7001 148.9549 149.1062 149.2743 149.7123 149.9579 150.0044 150.3411 150.4882 150.9285 151.0296 151.2004 151.5343 152.0462 152.6136 152.7326 152.8866 153.2999 153.7945 153.8402 154.1258 154.7506 154.9810 155.2467 155.9623 156.2884 156.3513 156.4907 157.2136 157.5105 157.7196 158.1777 158.6649 159.0864 159.1530 159.7370 160.0780 160.2877 161.0535 161.9141 162.6182 162.7043 163.9118 164.6261 167.1666 167.4819 168.8186 169.1758 172.4697 172.8610 173.1200 173.5872 175.0868 175.9330 177.0695 177.2880 179.4809 181.2061 181.6822 185.5291 186.9578 187.4026 187.6436 188.5811 190.0506 191.9090 193.1582 193.9142 196.2927 196.5468 198.7975 201.6936 206.2856 206.7131 207.6680 221.5189 222.5592 223.3501 223.6730 223.9190 225.1244 226.1255 226.7911 228.5344 230.0501 295.7120 296.2059 297.7420 299.3551 309.1125 314.6877 609.7205 618.4943 621.7948 625.1153 630.7794 631.4383 632.7161 634.0776 634.5196 635.6297 635.9625 636.2164 636.8250 637.5646 639.6621 641.1405 644.5159 647.3274 650.3183 657.3698 658.6254 707.8886 711.8626 1198.6553 1210.8378 1215.3153 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 -0.038376 -0.052134 -0.275566 -0.351956 -0.300525 0.121965 -0.013597 -0.098829 -0.283594 -0.258856 -0.256610 0.330669 0.134352 0.039227 0.032177 -0.137035 -0.197793 0.232829 -0.079128 -0.213693 0.226040 -0.154669 -0.136125 -0.157625 -0.175031 -0.087660 0.092115 0.097818 0.091477 0.085828 0.097601 0.084415 0.098629 0.090028 0.118421 0.096882 0.114394 0.079167 0.108510 0.124201 0.125070 0.126436 0.132047 0.127101 0.128731 0.132670 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 17.0384 17.0521 8.2756 8.3520 8.3005 5.8780 6.0136 6.0988 6.2836 6.2589 6.2566 5.6693 5.8656 5.9608 5.9678 6.1370 6.1978 5.7672 6.0791 6.2137 5.7740 6.1547 6.1361 6.1576 6.1750 6.0877 0.9079 0.9022 0.9085 0.9142 0.9024 0.9156 0.9014 0.9100 0.8816 0.9031 0.8856 0.9208 0.8915 0.8758 0.8749 0.8736 0.8680 0.8729 0.8713 0.8673 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 -0.0384 -0.0521 -0.2756 -0.3520 -0.3005 0.1220 -0.0136 -0.0988 -0.2836 -0.2589 -0.2566 0.3307 0.1344 0.0392 0.0322 -0.1370 -0.1978 0.2328 -0.0791 -0.2137 0.2260 -0.1547 -0.1361 -0.1576 -0.1750 -0.0877 0.0921 0.0978 0.0915 0.0858 0.0976 0.0844 0.0986 0.0900 0.1184 0.0969 0.1144 0.0792 0.1085 0.1242 0.1251 0.1264 0.1320 0.1271 0.1287 0.1327 1.2978 1.2563 2.0853 2.1560 2.1097 3.7494 3.7898 3.8616 3.9241 3.8962 3.8932 4.2260 4.1730 3.8425 3.7463 3.8847 4.0151 3.8323 3.9545 4.0370 3.8163 3.9856 3.9047 3.9233 3.9145 3.8148 1.0174 1.0250 0.9998 1.0022 1.0056 1.0040 1.0010 1.0174 1.0161 1.0028 1.0018 1.0505 1.0126 0.9991 1.0136 1.0097 1.0032 1.0062 1.0007 1.0027 1.2978 1.2563 2.0853 2.1560 2.1097 3.7494 3.7898 3.8616 3.9241 3.8962 3.8932 4.2260 4.1730 3.8425 3.7463 3.8847 4.0151 3.8323 3.9545 4.0370 3.8163 3.9856 3.9047 3.9233 3.9145 3.8148 1.0174 1.0250 0.9998 1.0022 1.0056 1.0040 1.0010 1.0174 1.0161 1.0028 1.0018 1.0505 1.0126 0.9991 1.0136 1.0097 1.0032 1.0062 1.0007 1.0027 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1718 1.1116 1.1431 0.8875 2.0056 1.0025 0.9214 0.9383 0.8918 0.9307 0.9452 0.9044 0.9484 0.9928 1.0050 1.0224 0.9974 0.9944 0.9886 0.9903 0.9957 0.9857 1.8673 0.9824 0.9437 0.9873 0.9834 1.3581 1.4176 1.3808 0.9611 1.4478 0.9690 1.4003 1.4607 0.9787 0.9711 1.4408 1.3626 1.4084 0.9800 1.4112 0.9804 1.3784 0.9935 1.3838 0.9908 0.9860 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 -0.029419876 -1958.450829574350 -9.32804 9.67495 0.34691 -10.40747 10.52013 0.11266 -23.19281 22.11059 -1.08222 1.14203 2.90281