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:-.0968,.9631,2.2223;-1.9858,-1.21,2.0041;.8226,2.7114,-.972;-.7901,1.1909,-1.2804;1.8111,-2.6303,.6004;-2.7375,3.4031,-.3253;-2.2811,2.703,.9105;-1.2536,3.2151,-.089;-3.2388,4.8202,-.1681;-3.4598,2.6418,-1.4098;-2.5176,1.2591,1.124;-.4245,2.2493,-.8434;-1.6478,.4492,1.7099;1.7951,1.8175,-1.5206;2.2739,.8462,-.4795;1.8187,-.4663,-.4816;3.1366,1.2807,.5196;2.2366,-1.3425,.5119;3.5414,.4006,1.5107;3.1003,-.9111,1.5104;1.2673,-3.2503,-.49;-.044,-3.6899,-.4111;2.0272,-3.487,-1.6281;-.5956,-4.3847,-1.4775;1.4618,-4.1733,-2.6909;.1517,-4.626,-2.6199;-2.3065,3.2878,1.8267;-.7141,4.1006,.2251;-2.7167,5.3558,.626;-3.1049,5.3844,-1.0924;-4.303,4.8265,.0742;-4.5313,2.6352,-1.1993;-3.3211,3.134,-2.3736;-3.1269,1.6139,-1.5172;-3.4657,.8369,.8142;1.398,1.3007,-2.3956;2.6092,2.4642,-1.8472;1.1173,-.786,-1.2408;3.4898,2.3044,.5248;4.2141,.7346,2.2897;3.4129,-1.6038,2.2806;-.6215,-3.4856,.4801;3.0522,-3.142,-1.6775;-1.6186,-4.7313,-1.4148;2.0527,-4.3608,-3.5777;-.2829,-5.1652,-3.4509; 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 2715.1358790614 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 6.952e-06 Time for diagonalization 0.427 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.211 sec Total time needed 0.643 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:-.0968,.9631,2.2223;-1.9858,-1.21,2.0041;.8226,2.7114,-.972;-.7901,1.1909,-1.2804;1.8111,-2.6303,.6004;-2.7375,3.4031,-.3253;-2.2811,2.703,.9105;-1.2536,3.2151,-.089;-3.2388,4.8202,-.1681;-3.4598,2.6418,-1.4098;-2.5176,1.2591,1.124;-.4245,2.2493,-.8434;-1.6478,.4492,1.7099;1.7951,1.8175,-1.5206;2.2739,.8462,-.4795;1.8187,-.4663,-.4816;3.1366,1.2807,.5196;2.2366,-1.3425,.5119;3.5414,.4006,1.5107;3.1003,-.9111,1.5104;1.2673,-3.2503,-.49;-.044,-3.6899,-.4111;2.0272,-3.487,-1.6281;-.5956,-4.3847,-1.4775;1.4618,-4.1733,-2.6909;.1517,-4.626,-2.6199;-2.3065,3.2878,1.8267;-.7141,4.1006,.2251;-2.7167,5.3558,.626;-3.1049,5.3844,-1.0924;-4.303,4.8265,.0742;-4.5313,2.6352,-1.1993;-3.3211,3.134,-2.3736;-3.1269,1.6139,-1.5172;-3.4657,.8369,.8142;1.398,1.3007,-2.3956;2.6092,2.4642,-1.8472;1.1173,-.786,-1.2408;3.4898,2.3044,.5248;4.2141,.7346,2.2897;3.4129,-1.6038,2.2806;-.6215,-3.4856,.4801;3.0522,-3.142,-1.6775;-1.6186,-4.7313,-1.4148;2.0527,-4.3608,-3.5777;-.2829,-5.1652,-3.4509; 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:-.0968,.9631,2.2223;-1.9858,-1.21,2.0041;.8226,2.7114,-.972;-.7901,1.1909,-1.2804;1.8111,-2.6303,.6004;-2.7375,3.4031,-.3253;-2.2811,2.703,.9105;-1.2536,3.2151,-.089;-3.2388,4.8202,-.1681;-3.4598,2.6418,-1.4098;-2.5176,1.2591,1.124;-.4245,2.2493,-.8434;-1.6478,.4492,1.7099;1.7951,1.8175,-1.5206;2.2739,.8462,-.4795;1.8187,-.4663,-.4816;3.1366,1.2807,.5196;2.2366,-1.3425,.5119;3.5414,.4006,1.5107;3.1003,-.9111,1.5104;1.2673,-3.2503,-.49;-.044,-3.6899,-.4111;2.0272,-3.487,-1.6281;-.5956,-4.3847,-1.4775;1.4618,-4.1733,-2.6909;.1517,-4.626,-2.6199;-2.3065,3.2878,1.8267;-.7141,4.1006,.2251;-2.7167,5.3558,.626;-3.1049,5.3844,-1.0924;-4.303,4.8265,.0742;-4.5313,2.6352,-1.1993;-3.3211,3.134,-2.3736;-3.1269,1.6139,-1.5172;-3.4657,.8369,.8142;1.398,1.3007,-2.3956;2.6092,2.4642,-1.8472;1.1173,-.786,-1.2408;3.4898,2.3044,.5248;4.2141,.7346,2.2897;3.4129,-1.6038,2.2806;-.6215,-3.4856,.4801;3.0522,-3.142,-1.6775;-1.6186,-4.7313,-1.4148;2.0527,-4.3608,-3.5777;-.2829,-5.1652,-3.4509; -1958.42114717 2715.13587906 -4673.55702623 -8084.53707155 3410.98004532 -3911.06638170 1952.64523454 2.00295799 102.000145637399 102.000145637399 204.000291274797 -143.520679390579 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 -2765.4395 -2765.4337 -524.5439 -524.3431 -522.8025 -283.1568 -282.6693 -281.4353 -281.3387 -281.2774 -280.5915 -280.4535 -280.2597 -280.2192 -279.9985 -279.8247 -279.7927 -279.7891 -279.7443 -279.6690 -279.6624 -279.6428 -279.6138 -279.6131 -279.5868 -279.4048 -260.7081 -260.7008 -199.5516 -199.5427 -199.3018 -199.2996 -199.2972 -199.2864 -33.4642 -32.7708 -30.9340 -28.3090 -27.5942 -26.8789 -26.5096 -25.8271 -24.6292 -24.0372 -23.8908 -23.6375 -23.3802 -23.0115 -22.4507 -22.1445 -20.7459 -20.3917 -19.7709 -19.4632 -19.0277 -18.6996 -18.0813 -17.7448 -17.3997 -16.9584 -16.7990 -16.2817 -16.1243 -16.0486 -15.9750 -15.7672 -15.5706 -15.5197 -15.1403 -14.8380 -14.7858 -14.5552 -14.2998 -14.2767 -14.2013 -13.8602 -13.8101 -13.5514 -13.4879 -13.2972 -13.1472 -12.9838 -12.8103 -12.6731 -12.4774 -12.3570 -12.2015 -12.0524 -11.9345 -11.7801 -11.6520 -11.3528 -11.0396 -10.9113 -10.7265 -10.4615 -10.1498 -9.4579 -9.2358 -9.1253 -8.9950 -8.3275 1.3593 1.5767 1.7055 1.9197 2.1474 2.3953 2.6438 3.0484 3.4394 3.6369 3.7400 3.9505 4.1339 4.2699 4.4192 4.5011 4.6155 4.7120 4.8698 4.9873 5.0140 5.1335 5.2325 5.2746 5.3334 5.5603 5.7549 5.8018 5.9723 6.0327 6.2255 6.2584 6.3809 6.5715 6.6772 6.7244 6.9050 7.0363 7.1389 7.3654 7.4652 7.6217 7.6574 7.8381 7.9301 7.9828 8.0476 8.1016 8.1805 8.2359 8.4563 8.5415 8.7090 8.7458 8.9439 9.0540 9.1868 9.2166 9.2610 9.3908 9.5796 9.6437 9.7012 9.9165 9.9695 10.1124 10.2831 10.3177 10.4319 10.5462 10.6845 10.7984 10.9494 11.0388 11.1520 11.2739 11.3746 11.4356 11.5304 11.5960 11.7073 11.7600 11.8169 11.9551 12.0566 12.2383 12.2484 12.5191 12.5889 12.5946 12.8146 12.8500 12.9452 12.9777 13.0444 13.0591 13.1396 13.2512 13.3776 13.4095 13.6023 13.6463 13.6987 13.7880 13.8813 13.8979 14.0127 14.0722 14.2953 14.3419 14.4455 14.4964 14.6363 14.7209 14.7356 14.9154 14.9690 15.0254 15.1780 15.3359 15.3741 15.4566 15.5554 15.6597 15.7216 15.7909 15.9040 15.9824 16.1558 16.1967 16.3360 16.4032 16.5302 16.5984 16.7228 16.7932 16.9424 17.0057 17.1130 17.2868 17.5979 17.6895 17.7270 17.8577 18.0590 18.2791 18.3327 18.4803 18.5642 18.8315 18.9943 19.2655 19.5829 19.7023 19.8313 19.9409 20.0336 20.1703 20.1887 20.3429 20.4348 20.5542 20.7306 20.7811 20.9718 21.1281 21.1333 21.2675 21.4552 21.5218 21.6874 21.8731 21.9347 22.0528 22.3400 22.3863 22.5045 22.5891 22.9052 23.0908 23.1729 23.3661 23.4214 23.5128 23.6857 23.7568 23.8565 24.1741 24.3428 24.3882 24.4642 24.5658 24.7244 24.8798 24.9555 25.0847 25.2552 25.4640 25.6131 25.8592 26.1365 26.2190 26.3670 26.6031 26.7325 26.9101 27.1643 27.2868 27.5590 27.5827 27.7543 27.9108 28.0296 28.2912 28.3374 28.4662 28.4930 28.5470 28.6299 28.8717 29.1228 29.1708 29.2382 29.3310 29.3704 29.5301 29.5773 29.9028 29.9749 30.0285 30.2583 30.3507 30.5158 30.5950 30.6308 30.8996 31.0652 31.2004 31.2801 31.3291 31.5504 31.7652 31.8898 32.0055 32.2237 32.3376 32.5100 32.6892 32.7277 32.9308 33.0297 33.0727 33.1869 33.3772 33.5103 33.5689 33.9673 33.9950 34.1371 34.3475 34.4919 34.7024 34.7449 35.1247 35.2380 35.3318 35.4527 35.6466 35.9218 36.0109 36.1236 36.2691 36.3138 36.6307 36.7170 36.8959 37.0090 37.1384 37.1998 37.4002 37.5627 37.5909 37.9430 38.1249 38.1532 38.3076 38.3785 38.5669 38.6065 38.6830 38.7430 38.9243 39.0055 39.1771 39.3173 39.4272 39.4686 39.7489 39.8249 39.8451 39.9469 40.2607 40.3226 40.4735 40.6898 40.8751 41.0905 41.1583 41.2747 41.5907 41.5943 41.7794 41.8805 41.9751 42.3506 42.5261 42.6106 42.8183 42.9140 43.0156 43.0778 43.3074 43.4537 43.6759 43.7179 43.8664 43.9285 44.0860 44.3540 44.4003 44.4644 44.7099 44.7532 44.8173 44.9943 45.2255 45.4689 45.6638 45.7577 45.9806 46.0466 46.2149 46.3250 46.6467 46.7986 47.0113 47.0891 47.2974 47.3707 47.5441 47.7176 47.8748 47.9678 48.1522 48.3270 48.5202 48.6831 48.9856 49.0315 49.2532 49.4902 49.6748 50.0487 50.1545 50.3511 50.4343 50.5236 50.8190 50.8992 50.9761 51.2614 51.5119 51.6142 51.7487 51.7752 52.1079 52.3209 52.5730 52.7771 52.9268 52.9955 53.2111 53.4472 53.8326 54.0099 54.2491 54.3526 54.4556 54.8152 55.0061 55.3039 55.3987 55.5642 55.6654 55.6998 55.8802 56.1431 56.1713 56.4947 56.9941 57.1006 57.1121 57.1819 57.4462 57.6555 57.7327 57.8835 57.9362 58.2751 58.5045 58.6959 58.8894 59.1051 59.4675 59.4766 59.6061 59.7649 59.9079 60.2596 60.3189 60.5951 60.6969 60.9643 61.1419 61.5181 61.7418 62.2322 62.2883 62.4513 62.6797 63.0020 63.1342 63.3617 63.5443 63.7059 63.8998 64.0606 64.3345 64.4009 64.5562 64.9007 65.1714 65.2089 65.5331 65.6486 66.0192 66.1322 66.2814 66.6179 66.6394 66.6544 66.9175 67.1308 67.2226 67.3859 67.5077 67.5622 67.8156 68.1620 68.4027 68.4975 68.7204 68.8529 69.2871 69.5336 69.8014 70.0461 70.2075 70.6147 70.8591 71.0695 71.2705 71.5985 71.7861 72.1609 72.3387 72.5327 72.9031 73.2850 73.7354 74.2030 74.3941 74.4502 74.7020 74.9523 75.0320 75.0731 75.2827 75.5745 75.6089 75.8775 76.2241 76.3742 76.7662 76.8287 76.8658 77.0506 77.1530 77.2668 77.5135 77.6530 77.8562 78.1171 78.2193 78.5668 78.6276 78.7829 78.8375 79.0491 79.2394 79.2758 79.3930 79.5782 79.6775 79.6883 79.9341 79.9857 80.2935 80.4223 80.7016 80.8546 80.9996 81.2408 81.3220 81.3991 81.6944 81.7422 81.9291 82.3647 82.4028 82.4836 82.5077 82.6904 82.7981 82.9687 83.0890 83.3078 83.3836 83.4595 83.7289 83.8536 84.0204 84.1678 84.3558 84.3856 84.5414 84.7865 84.8531 85.0281 85.1147 85.2472 85.3883 85.4664 85.6433 85.6638 85.8910 86.0597 86.2095 86.2215 86.3293 86.5520 86.5819 86.8017 86.9296 86.9939 87.1158 87.2195 87.4264 87.6050 87.6641 87.8473 87.9521 88.2525 88.2774 88.4691 88.5982 88.7305 88.8379 89.0906 89.1166 89.1890 89.3313 89.4332 89.5504 89.6483 89.7048 89.9173 90.1127 90.2624 90.4256 90.4939 90.5872 90.7507 91.0032 91.0514 91.4102 91.4999 91.6389 91.8694 91.9015 92.0781 92.3074 92.3429 92.4544 92.6053 92.7687 92.8381 92.9980 93.0698 93.1049 93.3927 93.5035 93.5948 93.6675 93.8292 93.9984 94.0502 94.2064 94.3788 94.5184 94.5822 94.8021 94.9032 94.9660 95.1679 95.2957 95.4467 95.5361 95.7083 95.8557 96.1199 96.2323 96.2948 96.4941 96.6028 96.7544 96.9055 97.0565 97.1667 97.2146 97.3138 97.5426 97.5769 97.6994 97.8587 98.0171 98.2941 98.4345 98.6301 98.8555 98.9371 99.1545 99.2451 99.3141 99.3379 99.6442 99.7755 99.8782 100.0950 100.1974 100.5301 100.5885 100.9952 101.2290 101.3198 101.4341 101.5741 101.7919 101.9294 102.1267 102.3048 102.4442 102.4878 102.8998 103.1468 103.2022 103.4996 103.6869 103.9888 104.0641 104.2714 104.4558 104.6439 104.8046 104.9580 105.1437 105.3842 105.4273 105.5737 105.6662 105.7322 105.8898 106.0761 106.1525 106.4771 106.5087 106.5772 106.7273 106.9038 107.0732 107.1511 107.2437 107.3191 107.5206 107.7975 108.0950 108.1668 108.3517 108.5604 108.7091 108.9585 109.0640 109.2208 109.4862 109.5607 109.9968 110.0361 110.1117 110.2345 110.5447 110.7010 110.7842 110.9807 111.3727 111.5523 111.7320 111.7811 112.1868 112.3394 112.6066 112.6338 112.6732 112.9498 112.9990 113.1755 113.3755 113.6999 113.8135 114.1284 114.3510 114.4242 114.6877 114.8996 114.9563 115.0651 115.3305 115.5312 115.7329 115.8003 115.9071 115.9995 116.0809 116.4516 116.5676 116.6383 116.7638 116.9986 117.0945 117.3665 117.5663 117.6619 117.7178 117.7705 117.9211 118.1342 118.3493 118.5946 118.6940 118.7439 118.7806 118.9858 119.0301 119.1531 119.3197 119.4125 119.5737 119.8044 119.9039 119.9485 120.2560 120.2774 120.6169 120.7480 120.7812 121.1785 121.2699 121.2945 121.3684 121.7022 121.9753 122.1064 122.4897 122.6074 122.9711 123.1211 123.8478 123.9674 124.2912 124.4319 124.6583 124.8958 125.3033 125.4612 126.0820 126.4776 126.8390 126.8986 127.4128 128.1045 128.2168 128.3558 128.6527 128.8777 129.1599 129.2683 129.4661 129.5164 129.6585 129.9661 130.2618 130.4095 130.7291 130.7987 131.0570 131.3801 131.5825 131.8982 132.0130 132.0935 132.3803 132.6458 132.7406 132.9131 132.9900 133.0780 133.3682 133.8138 134.0310 134.1415 134.5591 135.2660 135.4087 135.5410 135.7640 135.8758 135.9671 136.2645 136.5836 136.7721 137.2801 137.5800 137.7873 137.8583 138.0069 138.3997 138.6325 138.7424 139.4111 139.6870 139.7952 140.1820 140.8546 141.0757 141.2240 141.3864 141.6523 142.1086 143.0138 143.1771 143.8971 144.3147 144.4007 144.4631 144.8324 144.9168 145.2645 145.3943 145.5546 145.7817 145.8920 146.2526 146.3109 146.6717 146.9422 147.3275 147.6701 148.0786 148.3280 148.4212 148.7084 148.8086 149.0874 149.2347 149.8930 149.9928 150.1927 150.2591 150.3975 150.6976 151.1961 151.4881 151.7014 152.2467 152.3794 152.5947 153.1614 153.4930 153.6188 154.0020 154.5991 154.7839 154.9929 155.4293 155.9067 156.1964 156.4609 157.0115 157.2281 157.3263 157.7559 158.3825 158.4573 159.3057 159.3673 159.5888 160.0842 160.3335 161.2587 161.4304 162.5609 163.0664 164.2742 164.7619 165.0102 167.3482 169.0318 169.3125 172.1651 172.6977 173.1335 174.2009 175.3074 176.7202 177.4097 179.7794 180.2354 182.1032 182.5285 185.2866 186.6943 186.8481 187.8488 189.9305 190.4316 191.8178 192.8922 194.0524 196.6641 197.0179 199.7350 201.8044 205.2866 207.0669 207.2206 222.1062 222.8158 223.7671 224.2643 224.5677 225.2627 226.2982 226.9574 228.8600 230.5811 296.1544 297.4230 298.6804 299.1894 309.4083 314.3321 609.3499 619.6634 621.8147 624.7160 631.3451 631.7908 632.5815 634.2189 634.6032 634.7225 635.5065 636.1230 636.8861 637.1402 638.8162 640.2050 643.1763 647.3772 650.5739 657.6444 658.5182 706.1339 713.3882 1202.5521 1210.7443 1215.8575 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 -0.039520 -0.059351 -0.258677 -0.386095 -0.290302 0.104958 -0.047706 -0.084746 -0.237787 -0.278948 -0.183237 0.331115 0.110240 0.047449 -0.032527 -0.103446 -0.200660 0.219576 -0.084861 -0.213065 0.217212 -0.160297 -0.151695 -0.121686 -0.121747 -0.124478 0.100671 0.081756 0.073086 0.091748 0.088427 0.087690 0.087835 0.112272 0.109882 0.106296 0.110685 0.124336 0.105352 0.122714 0.121662 0.125481 0.127843 0.123640 0.124953 0.123948 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 17.0395 17.0594 8.2587 8.3861 8.2903 5.8950 6.0477 6.0847 6.2378 6.2789 6.1832 5.6689 5.8898 5.9526 6.0325 6.1034 6.2007 5.7804 6.0849 6.2131 5.7828 6.1603 6.1517 6.1217 6.1217 6.1245 0.8993 0.9182 0.9269 0.9083 0.9116 0.9123 0.9122 0.8877 0.8901 0.8937 0.8893 0.8757 0.8946 0.8773 0.8783 0.8745 0.8722 0.8764 0.8750 0.8761 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 -0.0395 -0.0594 -0.2587 -0.3861 -0.2903 0.1050 -0.0477 -0.0847 -0.2378 -0.2789 -0.1832 0.3311 0.1102 0.0474 -0.0325 -0.1034 -0.2007 0.2196 -0.0849 -0.2131 0.2172 -0.1603 -0.1517 -0.1217 -0.1217 -0.1245 0.1007 0.0818 0.0731 0.0917 0.0884 0.0877 0.0878 0.1123 0.1099 0.1063 0.1107 0.1243 0.1054 0.1227 0.1217 0.1255 0.1278 0.1236 0.1250 0.1239 1.3081 1.2500 2.1281 2.0835 2.1094 3.7211 3.9003 3.8528 3.9061 3.9022 3.9179 4.1627 4.1712 3.8674 3.6815 3.7969 4.0048 3.8400 3.9246 4.0418 3.8404 4.0244 3.9758 3.9733 3.9430 3.9501 1.0077 1.0354 1.0076 1.0044 1.0047 0.9978 1.0047 1.0171 1.0173 1.0119 0.9929 1.0315 1.0143 0.9992 1.0150 1.0194 1.0058 1.0009 1.0000 1.0001 1.3081 1.2500 2.1281 2.0835 2.1094 3.7211 3.9003 3.8528 3.9061 3.9022 3.9179 4.1627 4.1712 3.8674 3.6815 3.7969 4.0048 3.8400 3.9246 4.0418 3.8404 4.0244 3.9758 3.9733 3.9430 3.9501 1.0077 1.0354 1.0076 1.0044 1.0047 0.9978 1.0047 1.0171 1.0173 1.0119 0.9929 1.0315 1.0143 0.9992 1.0150 1.0194 1.0058 1.0009 1.0000 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 1.1888 1.1185 1.1634 0.8839 1.9039 1.0129 0.9229 0.9510 0.8751 0.9472 0.9337 0.9112 0.9917 1.0092 0.9900 1.0319 0.9809 0.9954 0.9940 0.9911 0.9858 0.9956 1.8587 0.9760 0.9144 1.0224 0.9912 1.3368 1.4172 1.3615 0.9570 1.4404 0.9861 1.4022 1.4520 0.9836 0.9764 1.4290 1.3914 1.4417 0.9606 1.4350 0.9693 1.4352 0.9726 1.4274 0.9733 0.9770 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 -0.027549332 -1958.448696499800 -5.49299 5.24365 -0.24934 13.67329 -12.71392 0.95937 -18.73686 18.31769 -0.41917 1.07623 2.73556