Orca 5.0.2 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:-5.2103,4.1453,-.8339;-2.9907,5.9768,-.6541;-.2028,.0775,-1.735;.0286,1.9342,-.513;2.9571,-3.8279,.0132;-2.6652,1.0214,.7829;-3.0676,1.9195,-.3499;-2.0796,.7846,-.5929;-3.6883,.0054,1.234;-1.826,1.5543,1.9177;-2.6725,3.3337,-.4061;-.6536,1.0252,-.9116;-3.5157,4.3394,-.6049;1.1759,.1266,-2.1144;2.063,-.4897,-1.0706;2.1123,-1.8729,-.9521;2.8236,.2997,-.2164;2.9265,-2.4665,.0012;3.6382,-.3011,.7306;3.7014,-1.6807,.8465;3.2619,-4.4937,1.1664;2.5682,-4.2552,2.3464;4.2522,-5.4622,1.1135;2.8789,-4.9934,3.477;4.5465,-6.2014,2.2498;3.8666,-5.9677,3.435;-4.0483,1.7168,-.7649;-2.4961,-.0599,-1.129;-4.292,-.3664,.4053;-3.2033,-.8525,1.7028;-4.3674,.4465,1.9655;-2.4773,2.0139,2.6628;-1.2885,.7391,2.4046;-1.0918,2.294,1.6155;-1.6306,3.5909,-.2751;1.2234,-.4453,-3.0408;1.4791,1.1517,-2.3316;1.5245,-2.5038,-1.6083;2.7736,1.3774,-.2886;4.2398,.3113,1.3892;4.3523,-2.1346,1.5822;1.7914,-3.5019,2.3792;4.7795,-5.6356,.1847;2.3384,-4.8096,4.3961;5.3168,-6.96,2.2063;4.101,-6.5433,4.3201; 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 2417.7558942452 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 7.199e-06 Time for diagonalization 0.432 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.209 sec Total time needed 0.646 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:-5.2103,4.1453,-.8339;-2.9907,5.9768,-.6541;-.2028,.0775,-1.735;.0286,1.9342,-.513;2.9571,-3.8279,.0132;-2.6652,1.0214,.7829;-3.0676,1.9195,-.3499;-2.0796,.7846,-.5929;-3.6883,.0054,1.234;-1.826,1.5543,1.9177;-2.6725,3.3337,-.4061;-.6536,1.0252,-.9116;-3.5157,4.3394,-.6049;1.1759,.1266,-2.1144;2.063,-.4897,-1.0706;2.1123,-1.8729,-.9521;2.8236,.2997,-.2164;2.9265,-2.4665,.0012;3.6382,-.3011,.7306;3.7014,-1.6807,.8465;3.2619,-4.4937,1.1664;2.5682,-4.2552,2.3464;4.2522,-5.4622,1.1135;2.8789,-4.9934,3.477;4.5465,-6.2014,2.2498;3.8666,-5.9677,3.435;-4.0483,1.7168,-.7649;-2.4961,-.0599,-1.129;-4.292,-.3664,.4053;-3.2033,-.8525,1.7028;-4.3674,.4465,1.9655;-2.4773,2.0139,2.6628;-1.2885,.7391,2.4046;-1.0918,2.294,1.6155;-1.6306,3.5909,-.2751;1.2234,-.4453,-3.0408;1.4791,1.1517,-2.3316;1.5245,-2.5038,-1.6083;2.7736,1.3774,-.2886;4.2398,.3113,1.3892;4.3523,-2.1346,1.5822;1.7914,-3.5019,2.3792;4.7795,-5.6356,.1847;2.3384,-4.8096,4.3961;5.3168,-6.96,2.2063;4.101,-6.5433,4.3201; 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:-5.2103,4.1453,-.8339;-2.9907,5.9768,-.6541;-.2028,.0775,-1.735;.0286,1.9342,-.513;2.9571,-3.8279,.0132;-2.6652,1.0214,.7829;-3.0676,1.9195,-.3499;-2.0796,.7846,-.5929;-3.6883,.0054,1.234;-1.826,1.5543,1.9177;-2.6725,3.3337,-.4061;-.6536,1.0252,-.9116;-3.5157,4.3394,-.6049;1.1759,.1266,-2.1144;2.063,-.4897,-1.0706;2.1123,-1.8729,-.9521;2.8236,.2997,-.2164;2.9265,-2.4665,.0012;3.6382,-.3011,.7306;3.7014,-1.6807,.8465;3.2619,-4.4937,1.1664;2.5682,-4.2552,2.3464;4.2522,-5.4622,1.1135;2.8789,-4.9934,3.477;4.5465,-6.2014,2.2498;3.8666,-5.9677,3.435;-4.0483,1.7168,-.7649;-2.4961,-.0599,-1.129;-4.292,-.3664,.4053;-3.2033,-.8525,1.7028;-4.3674,.4465,1.9655;-2.4773,2.0139,2.6628;-1.2885,.7391,2.4046;-1.0918,2.294,1.6155;-1.6306,3.5909,-.2751;1.2234,-.4453,-3.0408;1.4791,1.1517,-2.3316;1.5245,-2.5038,-1.6083;2.7736,1.3774,-.2886;4.2398,.3113,1.3892;4.3523,-2.1346,1.5822;1.7914,-3.5019,2.3792;4.7795,-5.6356,.1847;2.3384,-4.8096,4.3961;5.3168,-6.96,2.2063;4.101,-6.5433,4.3201; -1958.42569232 2417.75589425 -4376.18158656 -7488.73463718 3112.55305062 -3911.04043639 1952.61474407 2.00297598 101.999834101948 101.999834101948 203.999668203896 -143.513283240471 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 -2765.5294 -2765.4170 -524.7551 -524.5830 -523.0277 -283.3965 -282.7044 -281.6398 -281.5912 -281.4460 -280.7179 -280.5222 -280.4164 -280.2497 -280.1798 -280.0231 -280.0060 -279.9476 -279.9407 -279.8904 -279.8764 -279.8469 -279.8371 -279.7132 -279.6798 -279.4569 -260.7990 -260.6848 -199.6401 -199.5296 -199.3953 -199.3873 -199.2774 -199.2733 -33.6763 -33.0007 -31.1253 -28.3152 -27.6836 -27.0808 -26.7014 -25.8501 -24.7646 -24.2400 -24.1085 -23.8512 -23.4627 -23.1078 -22.6562 -22.2032 -20.8780 -20.4986 -19.9785 -19.7831 -19.1330 -18.7935 -18.2729 -17.8792 -17.6877 -17.0015 -16.9545 -16.4303 -16.3456 -16.1876 -16.1111 -15.9400 -15.7947 -15.3895 -15.1891 -15.0467 -14.7939 -14.5992 -14.4811 -14.3588 -14.2667 -13.9927 -13.9278 -13.8021 -13.7840 -13.4678 -13.1961 -13.0563 -13.0359 -12.8239 -12.6408 -12.5572 -12.3429 -12.2100 -11.9936 -11.8140 -11.7745 -11.5629 -11.3595 -11.0881 -11.0295 -10.5217 -10.3569 -9.6669 -9.4364 -9.3878 -8.8315 -8.4889 1.1509 1.5008 1.5576 1.6674 2.0436 2.2862 2.6575 2.9657 3.4270 3.5503 3.6497 3.8153 3.9535 4.2542 4.3387 4.4452 4.5005 4.6396 4.8206 4.8469 4.9657 5.0250 5.1263 5.2018 5.2314 5.4302 5.7159 5.7794 5.8357 5.9744 6.0397 6.1420 6.2283 6.2602 6.3681 6.5532 6.9386 7.0258 7.1678 7.2585 7.3445 7.4562 7.4830 7.5353 7.6608 7.7292 7.8549 7.9671 8.1059 8.2765 8.3842 8.4609 8.5739 8.6751 8.7637 8.8678 8.9439 9.0688 9.2482 9.3691 9.3961 9.4713 9.5953 9.6652 9.7655 9.9280 9.9769 10.1343 10.2439 10.4800 10.5599 10.6520 10.7306 10.8412 10.9020 10.9524 11.2267 11.2850 11.3570 11.3935 11.4685 11.5793 11.6274 11.7358 11.8487 11.8925 11.9102 12.0372 12.1220 12.2351 12.3335 12.4836 12.5631 12.6624 12.7445 12.8355 12.8509 12.8701 13.1469 13.1698 13.1929 13.2544 13.3812 13.4261 13.4785 13.6186 13.6460 13.7890 13.8184 13.8964 13.9842 14.0939 14.2207 14.3896 14.4306 14.5139 14.5672 14.6760 14.9015 15.0275 15.0455 15.1310 15.2376 15.3389 15.4355 15.5756 15.6520 15.7122 15.8112 15.8820 15.9193 16.0897 16.1343 16.2302 16.3322 16.5052 16.5334 16.7278 16.8354 16.9443 17.1187 17.2315 17.3670 17.4803 17.6073 17.9184 18.1816 18.2341 18.3416 18.4353 18.4941 18.6617 18.7956 18.8929 19.1686 19.3258 19.3898 19.6385 19.7099 19.7724 19.9466 19.9950 20.2209 20.4108 20.4424 20.5895 20.7673 20.9974 21.0760 21.2488 21.3054 21.4533 21.5154 21.6462 21.7143 21.9523 22.1038 22.1910 22.3786 22.4461 22.6747 22.7519 22.8031 23.0018 23.0842 23.1161 23.4277 23.6839 23.7445 23.8032 24.0801 24.1577 24.2796 24.4895 24.5767 24.6934 24.8188 24.9533 25.0241 25.3178 25.3719 25.4963 25.5737 25.9810 26.0610 26.4095 26.5621 26.8018 26.9721 27.0893 27.1811 27.3261 27.4047 27.4730 27.6211 27.7590 27.9866 28.2259 28.5277 28.5632 28.7723 28.8610 28.9229 29.0434 29.1593 29.2894 29.3564 29.4624 29.6350 29.8445 29.9750 30.0665 30.2852 30.3819 30.4011 30.5690 30.7188 30.8385 30.9868 31.0779 31.1840 31.3448 31.4316 31.5283 31.7539 31.8918 32.0400 32.1333 32.4472 32.4972 32.5899 32.6227 32.8102 32.9904 33.1514 33.2900 33.5373 33.5828 33.7971 34.0372 34.0963 34.3094 34.4355 34.7163 34.8133 35.0332 35.0735 35.1315 35.3775 35.4900 35.7013 35.8128 35.8998 36.1270 36.2910 36.4469 36.8312 36.9657 37.0104 37.1678 37.3360 37.3608 37.5363 37.7510 37.8317 37.8982 38.0208 38.2697 38.2996 38.3535 38.4724 38.5693 38.6609 38.7843 39.1105 39.1622 39.2965 39.4316 39.5017 39.6450 39.8388 40.0525 40.2218 40.3484 40.5047 40.5534 40.6511 40.7943 40.9730 41.1748 41.4144 41.6124 41.6696 42.0271 42.1375 42.3078 42.4085 42.5471 42.6463 42.8246 42.9387 43.0870 43.2733 43.4280 43.5386 43.5734 43.6682 43.7047 43.9170 44.0910 44.4265 44.4606 44.5251 44.6301 44.7937 44.9486 45.1818 45.2421 45.3500 45.6728 45.7372 45.8478 45.9791 46.0939 46.4277 46.4716 46.8327 46.9191 47.0454 47.2115 47.2339 47.4474 47.5522 47.7637 47.9478 48.0464 48.3142 48.4562 48.8694 49.0557 49.0973 49.2518 49.3847 49.5532 49.9385 50.0029 50.3379 50.4518 50.6457 50.7069 50.8202 50.9308 50.9634 51.1955 51.5076 51.5682 52.0340 52.0913 52.3201 52.4001 52.6121 52.6577 52.7468 52.8995 53.0475 53.2741 53.4346 53.5926 53.6740 54.2209 54.3936 54.5875 54.6782 54.9250 55.0866 55.3635 55.4557 55.7807 56.1973 56.3438 56.6213 56.7787 56.9122 57.0618 57.4058 57.4231 57.5491 57.7979 57.9060 58.1134 58.3623 58.4666 58.5903 58.9621 59.1434 59.3153 59.3859 59.5266 59.5843 59.8381 59.8585 60.1303 60.2671 60.4738 60.8333 61.0673 61.3034 61.5181 61.6090 61.8154 61.9698 62.5647 62.8886 63.0845 63.2509 63.3930 63.4932 63.5524 63.6694 63.8738 63.9032 64.2458 64.5563 64.5631 64.7360 65.0030 65.1671 65.4608 65.6564 65.8562 65.8943 66.1927 66.3281 66.4655 66.8530 67.2042 67.2468 67.3902 67.7116 67.7851 67.9102 68.0940 68.3159 68.6434 69.1713 69.2418 69.5424 69.8211 70.3708 70.6260 70.9937 71.3411 71.5499 71.7554 71.9644 72.0022 72.4257 73.0760 73.1828 73.5842 73.7693 73.9264 74.2038 74.3207 74.5062 74.6319 74.9082 75.1390 75.3075 75.3446 75.4444 75.7413 75.9747 76.3130 76.4324 76.5443 76.7797 76.8748 77.0918 77.3419 77.3724 77.4345 77.6321 77.8980 78.1696 78.3203 78.4344 78.5974 78.7114 78.8370 78.9131 79.1062 79.2376 79.3371 79.3538 79.5746 79.6202 79.6917 79.8918 80.0797 80.4353 80.6227 80.8312 81.0216 81.1397 81.3276 81.4057 81.4359 81.8690 81.9096 82.1128 82.2483 82.3699 82.4182 82.5280 82.6397 82.7817 82.8832 83.0629 83.2041 83.4246 83.6230 83.7498 83.9194 84.0736 84.3727 84.3958 84.5045 84.6234 84.7845 84.8835 84.9566 85.1867 85.2330 85.2960 85.3730 85.4300 85.5737 85.7453 85.9113 85.9571 85.9889 86.3489 86.3846 86.4697 86.5528 86.7858 86.9354 87.0375 87.3752 87.7513 87.8996 87.9400 88.0853 88.1908 88.4241 88.5060 88.6998 88.7447 88.8257 89.0177 89.0229 89.1182 89.2605 89.4425 89.5465 89.5916 89.7308 89.8758 89.9255 90.0627 90.2860 90.3591 90.5620 90.6886 91.0546 91.1516 91.1770 91.4521 91.6567 91.7157 91.8071 92.1458 92.2704 92.4420 92.4828 92.5374 92.6526 92.7078 92.8131 93.0394 93.1941 93.2679 93.3432 93.4700 93.5732 93.7202 93.7935 93.9849 94.4002 94.4197 94.6253 94.6306 94.8301 95.0587 95.0767 95.2484 95.3092 95.4039 95.5384 95.7354 95.8165 95.9103 95.9759 96.1182 96.2111 96.5238 96.6896 96.8114 97.0991 97.2350 97.3674 97.4877 97.6500 97.8450 97.9191 98.0727 98.2049 98.2717 98.4861 98.5122 98.6105 98.8284 99.0154 99.1685 99.3402 99.5159 99.6430 99.6988 99.8073 99.9918 100.2111 100.5164 100.5366 100.8154 100.8899 101.3336 101.5822 101.6268 101.9344 102.0727 102.2868 102.4796 102.6955 102.7718 103.0939 103.3412 103.4803 103.6573 103.8516 104.1234 104.3428 104.4053 104.7384 104.9120 104.9627 105.1776 105.3572 105.4056 105.4363 105.4664 105.5960 105.7044 105.9226 106.0680 106.2378 106.4428 106.5451 106.6932 106.8862 106.9849 107.1008 107.2443 107.3228 107.5713 107.7207 108.0133 108.1643 108.3181 108.6178 108.6780 109.0111 109.1008 109.3643 109.4093 109.6427 109.9136 110.0508 110.2921 110.6037 110.7158 110.8907 111.0585 111.0947 111.3054 111.3864 111.4855 111.6328 111.9545 112.1689 112.3355 112.5637 112.7521 112.7898 112.9990 113.2818 113.3808 113.5574 113.7872 113.9240 114.1977 114.3411 114.5319 114.6839 114.8071 114.9773 115.0739 115.3173 115.4848 115.6729 115.9077 116.1770 116.2495 116.4385 116.4885 116.6670 116.8542 117.0541 117.2187 117.2298 117.3187 117.5267 117.7424 117.8293 118.0035 118.2460 118.2804 118.3788 118.4234 118.5093 118.6975 118.8201 118.9634 119.0967 119.2869 119.3975 119.5716 119.7525 119.9502 120.0008 120.1421 120.4881 120.6372 120.8342 121.1039 121.1446 121.3235 121.4821 121.5699 122.1195 122.2385 122.4440 122.5926 123.0320 123.2340 123.2886 123.3909 123.7903 124.3169 124.4687 124.8978 125.2255 125.4742 125.9544 126.2881 126.4764 126.7688 126.8621 127.6851 127.8794 128.2097 128.3645 128.7141 128.8998 129.0276 129.3181 129.4446 129.6209 129.7075 130.0997 130.2033 130.3472 130.4496 130.6948 130.9214 130.9587 131.2958 131.4896 131.7172 131.9036 132.2481 132.5512 132.6377 132.7007 133.0662 133.1455 133.7037 133.9673 134.1153 134.2518 134.4924 134.9380 135.0099 135.5870 135.7518 136.0375 136.3428 136.4441 136.7847 136.8832 137.1620 137.4466 137.7338 138.0199 138.1678 138.3893 138.4183 138.9384 139.2063 139.5666 140.6349 140.6982 140.8264 141.0852 141.3269 141.8044 142.2425 142.7781 143.1255 143.9541 144.0912 144.1124 144.2518 144.4704 144.8845 145.1040 145.3958 145.5213 145.7087 145.7384 146.0094 146.2188 146.4322 146.6818 146.9309 147.3672 147.5469 147.8797 148.0845 148.1734 148.5286 148.9640 149.1271 149.3965 149.8497 149.9988 150.1162 150.3175 150.6138 150.8681 151.4875 151.7290 151.9531 152.2426 152.4606 152.8195 153.3845 153.7451 154.2518 154.4036 154.5736 155.0197 155.5403 156.5266 156.5585 156.7810 157.2387 157.4355 157.6562 158.1322 158.3080 158.9117 159.1518 159.3316 159.7609 159.8133 160.9832 161.3239 161.8050 162.3164 163.4061 163.9650 164.8185 165.5415 167.2520 168.6234 169.3940 172.4586 172.6289 172.8825 173.2274 174.0656 176.3190 177.5508 179.7275 180.2262 181.2416 182.2298 185.0640 186.2075 186.7849 187.2971 189.3878 189.9265 191.9887 192.9013 193.7862 196.0017 196.6150 199.6413 201.9374 205.0303 206.6740 206.8316 221.5755 221.9071 222.6684 223.1099 223.2249 223.7176 225.9290 226.2916 228.0860 229.4945 294.7103 294.9041 295.9065 297.2970 308.7999 313.4988 608.7468 618.0030 620.5046 625.2427 630.5611 631.4870 632.1547 633.5934 634.1881 635.2225 635.2560 635.8043 636.7053 636.7876 637.2913 639.8628 642.5932 647.0836 650.2651 657.4041 658.1741 702.0826 708.0311 1200.9245 1210.0617 1215.1287 -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 -0.052824 -0.046963 -0.264442 -0.414514 -0.297786 0.074638 0.045821 -0.109741 -0.233320 -0.248887 -0.232040 0.393408 0.039196 0.056602 -0.012410 -0.229019 -0.117916 0.227695 -0.127237 -0.156922 0.225542 -0.159006 -0.193299 -0.116448 -0.099993 -0.135938 0.078587 0.087297 0.073713 0.089183 0.092239 0.091908 0.089111 0.101733 0.134857 0.110278 0.108017 0.110052 0.120441 0.126695 0.132645 0.132802 0.125853 0.127549 0.126142 0.126701 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 17.0528 17.0470 8.2644 8.4145 8.2978 5.9254 5.9542 6.1097 6.2333 6.2489 6.2320 5.6066 5.9608 5.9434 6.0124 6.2290 6.1179 5.7723 6.1272 6.1569 5.7745 6.1590 6.1933 6.1164 6.1000 6.1359 0.9214 0.9127 0.9263 0.9108 0.9078 0.9081 0.9109 0.8983 0.8651 0.8897 0.8920 0.8899 0.8796 0.8733 0.8674 0.8672 0.8741 0.8725 0.8739 0.8733 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 -0.0528 -0.0470 -0.2644 -0.4145 -0.2978 0.0746 0.0458 -0.1097 -0.2333 -0.2489 -0.2320 0.3934 0.0392 0.0566 -0.0124 -0.2290 -0.1179 0.2277 -0.1272 -0.1569 0.2255 -0.1590 -0.1933 -0.1164 -0.1000 -0.1359 0.0786 0.0873 0.0737 0.0892 0.0922 0.0919 0.0891 0.1017 0.1349 0.1103 0.1080 0.1101 0.1204 0.1267 0.1326 0.1328 0.1259 0.1275 0.1261 0.1267 1.2758 1.2596 2.1437 2.0699 2.1040 3.7665 3.7890 3.9196 3.9127 3.9141 3.8862 4.1185 4.2412 3.8485 3.7001 4.0749 3.9524 3.8621 3.9787 3.9236 3.8224 3.9608 4.0353 3.9444 3.9345 3.9545 1.0329 1.0300 1.0087 1.0044 1.0042 1.0018 1.0021 1.0195 1.0363 0.9947 1.0110 1.0261 1.0229 1.0013 1.0048 1.0033 1.0130 0.9998 0.9992 1.0001 1.2758 1.2596 2.1437 2.0699 2.1040 3.7665 3.7890 3.9196 3.9127 3.9141 3.8862 4.1185 4.2412 3.8485 3.7001 4.0749 3.9524 3.8621 3.9787 3.9236 3.8224 3.9608 4.0353 3.9444 3.9345 3.9545 1.0329 1.0300 1.0087 1.0044 1.0042 1.0018 1.0021 1.0195 1.0363 0.9947 1.0110 1.0261 1.0229 1.0013 1.0048 1.0033 1.0130 0.9998 0.9992 1.0001 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1841 1.1730 1.1698 0.8746 1.8658 0.9912 0.9332 0.8911 0.8949 0.9526 0.9630 0.8914 0.9962 1.0098 1.0107 1.0348 0.9810 0.9930 0.9931 0.9888 0.9865 0.9851 1.8605 0.9539 0.9168 0.9936 1.0170 1.4293 1.3665 1.4498 0.9631 1.4623 0.9729 1.3580 1.4312 0.9730 0.9605 1.3790 1.4295 1.4353 0.9654 1.4327 0.9716 1.4289 0.9721 1.4302 0.9744 0.9762 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 -0.021584919 -1958.447277236654 19.56241 -19.21325 0.34916 -33.52210 32.32602 -1.19608 15.56993 -15.08712 0.48281 1.33627 3.39654