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:3.2094,-2.7217,1.6575;5.0763,-4.2349,.0545;-1.0921,-1.7547,.9025;.206,.0209,.4887;-3.326,3.5037,-.0648;.9379,-1.8111,-1.9842;2.073,-1.6929,-1.0205;.7157,-2.0927,-.5066;.873,-3.0184,-2.8887;.3862,-.5573,-2.6173;3.1917,-2.6614,-1.0167;-.0473,-1.1446,.336;3.7497,-3.1423,.0859;-2.0114,-.9273,1.6169;-2.7973,-.0464,.6864;-2.6825,1.3326,.7728;-3.6208,-.6134,-.2811;-3.377,2.1448,-.1151;-4.3206,.2037,-1.1536;-4.1973,1.5824,-1.0826;-2.1784,4.1546,.2863;-2.3282,5.3357,.9996;-.9144,3.7118,-.0851;-1.2087,6.0781,1.3404;.1967,4.4603,.2727;.0589,5.643,.9835;2.3585,-.6755,-.7639;.5688,-3.1378,-.2581;1.4648,-2.8576,-3.7924;1.2411,-3.9245,-2.4064;-.1558,-3.2061,-3.1995;-.6746,-.6718,-2.8475;.4964,.3194,-1.9836;.9088,-.3566,-3.5544;3.6109,-2.9747,-1.9658;-2.6655,-1.6307,2.1322;-1.4917,-.333,2.3713;-2.0297,1.7677,1.5186;-3.7141,-1.6897,-.3534;-4.9644,-.2338,-1.9052;-4.7331,2.2258,-1.7679;-3.3202,5.6663,1.2783;-.7874,2.7887,-.6353;-1.3307,6.9988,1.8955;1.1799,4.1085,-.0102;.9317,6.22,1.257; 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 2529.3464928990 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 6.712e-06 Time for diagonalization 0.354 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.291 sec Total time needed 0.657 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:3.2094,-2.7217,1.6575;5.0763,-4.2349,.0545;-1.0921,-1.7547,.9025;.206,.0209,.4887;-3.326,3.5037,-.0648;.9379,-1.8111,-1.9842;2.073,-1.6929,-1.0205;.7157,-2.0927,-.5066;.873,-3.0184,-2.8887;.3862,-.5573,-2.6173;3.1917,-2.6614,-1.0167;-.0473,-1.1446,.336;3.7497,-3.1423,.0859;-2.0114,-.9273,1.6169;-2.7973,-.0464,.6864;-2.6825,1.3326,.7727;-3.6208,-.6134,-.2811;-3.377,2.1448,-.1151;-4.3206,.2037,-1.1536;-4.1973,1.5824,-1.0826;-2.1784,4.1546,.2863;-2.3282,5.3357,.9996;-.9144,3.7118,-.0851;-1.2087,6.0781,1.3404;.1967,4.4603,.2727;.0589,5.643,.9835;2.3585,-.6755,-.7639;.5688,-3.1378,-.2581;1.4648,-2.8576,-3.7924;1.2411,-3.9245,-2.4064;-.1558,-3.2061,-3.1995;-.6746,-.6718,-2.8475;.4964,.3194,-1.9836;.9088,-.3566,-3.5544;3.6109,-2.9747,-1.9658;-2.6655,-1.6307,2.1322;-1.4917,-.333,2.3713;-2.0297,1.7677,1.5186;-3.7141,-1.6897,-.3534;-4.9644,-.2338,-1.9052;-4.7331,2.2258,-1.7679;-3.3202,5.6663,1.2783;-.7874,2.7887,-.6353;-1.3307,6.9988,1.8955;1.1799,4.1085,-.0102;.9317,6.22,1.257; 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:3.2094,-2.7217,1.6575;5.0763,-4.2349,.0545;-1.0921,-1.7547,.9025;.206,.0209,.4887;-3.326,3.5037,-.0648;.9379,-1.8111,-1.9842;2.073,-1.6929,-1.0205;.7157,-2.0927,-.5066;.873,-3.0184,-2.8887;.3862,-.5573,-2.6173;3.1917,-2.6614,-1.0167;-.0473,-1.1446,.336;3.7497,-3.1423,.0859;-2.0114,-.9273,1.6169;-2.7973,-.0464,.6864;-2.6825,1.3326,.7728;-3.6208,-.6134,-.2811;-3.377,2.1448,-.1151;-4.3206,.2037,-1.1536;-4.1973,1.5824,-1.0826;-2.1784,4.1546,.2863;-2.3282,5.3357,.9996;-.9144,3.7118,-.0851;-1.2087,6.0781,1.3404;.1967,4.4603,.2727;.0589,5.643,.9835;2.3585,-.6755,-.7639;.5688,-3.1378,-.2581;1.4648,-2.8576,-3.7924;1.2411,-3.9245,-2.4064;-.1558,-3.2061,-3.1995;-.6746,-.6718,-2.8475;.4964,.3194,-1.9836;.9088,-.3566,-3.5544;3.6109,-2.9747,-1.9658;-2.6655,-1.6307,2.1322;-1.4917,-.333,2.3713;-2.0297,1.7677,1.5186;-3.7141,-1.6897,-.3534;-4.9644,-.2338,-1.9052;-4.7331,2.2258,-1.7679;-3.3202,5.6663,1.2783;-.7874,2.7887,-.6353;-1.3307,6.9988,1.8955;1.1799,4.1085,-.0102;.9317,6.22,1.257; -1958.42438798 2529.34649290 -4487.77088088 -7712.08331844 3224.31243756 -3911.04930602 1952.62491803 2.00297009 101.999963146789 101.999963146789 203.999926293577 -143.514272299565 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 -2765.6562 -2765.6372 -524.7115 -524.4970 -522.9600 -283.2649 -282.9330 -281.5525 -281.4481 -281.4456 -280.6899 -280.4425 -280.3931 -280.3012 -280.1752 -279.9431 -279.8103 -279.7881 -279.7857 -279.7750 -279.7648 -279.7248 -279.6794 -279.6614 -279.5924 -279.4941 -260.9246 -260.9053 -199.7670 -199.7497 -199.5229 -199.5096 -199.4987 -199.4932 -33.6218 -32.8940 -31.0669 -28.5222 -27.7003 -26.9955 -26.5431 -26.0377 -24.7588 -24.1796 -24.0234 -23.6106 -23.5020 -23.0973 -22.5878 -22.2432 -20.8223 -20.5261 -19.8414 -19.5074 -19.1624 -18.7694 -18.1436 -17.9094 -17.4153 -17.2081 -16.9194 -16.3398 -16.2758 -16.1893 -16.1019 -15.7818 -15.6822 -15.6691 -15.1452 -14.9536 -14.8131 -14.7191 -14.4501 -14.2491 -14.1377 -13.8922 -13.8092 -13.8017 -13.7471 -13.5209 -13.2629 -13.0834 -12.8942 -12.8223 -12.5143 -12.4096 -12.3198 -12.1896 -12.0241 -11.8976 -11.7256 -11.6681 -11.2336 -11.0552 -10.8895 -10.5436 -10.3072 -9.4911 -9.2997 -9.2679 -9.2504 -8.2961 1.3374 1.4001 1.5160 1.8662 2.1870 2.2735 2.5654 2.8434 3.3299 3.6110 3.7060 3.8477 3.9722 4.0681 4.1720 4.3290 4.5076 4.6072 4.6490 4.8348 4.9030 4.9920 5.0631 5.3764 5.4385 5.5027 5.6160 5.8094 5.9554 6.0422 6.1307 6.1503 6.2982 6.3854 6.5018 6.6612 6.8852 7.0185 7.2400 7.2925 7.4730 7.6954 7.7403 7.8451 7.8604 7.9473 8.0002 8.2148 8.2511 8.3181 8.4753 8.5001 8.6387 8.8303 8.9287 8.9670 9.1117 9.2355 9.3046 9.3477 9.4791 9.5228 9.6325 9.8374 9.8795 10.0380 10.1070 10.1482 10.2821 10.4247 10.5522 10.6768 10.6983 10.8330 10.9698 10.9919 11.1223 11.2859 11.3802 11.4313 11.4485 11.5607 11.7063 11.7710 11.7925 11.9728 12.0627 12.1230 12.2425 12.3303 12.3898 12.4478 12.6059 12.6755 12.7466 12.8708 13.0087 13.0534 13.1260 13.2955 13.3545 13.4231 13.5089 13.5673 13.6895 13.9033 13.9433 14.0258 14.0637 14.1294 14.2034 14.3055 14.3358 14.4970 14.5529 14.7044 14.7783 14.9760 15.0422 15.0604 15.1671 15.3014 15.3189 15.3994 15.4570 15.6020 15.7459 15.8379 15.9226 16.1150 16.1859 16.2512 16.2981 16.4932 16.5183 16.6721 16.7771 16.8880 17.0014 17.2637 17.3658 17.4231 17.5599 17.7220 17.7832 18.0484 18.1486 18.2412 18.3156 18.6505 18.8097 19.0234 19.2075 19.3409 19.4131 19.5536 19.7055 19.8222 19.9853 20.0437 20.1375 20.3125 20.4416 20.6418 20.7942 20.8140 20.8749 21.0541 21.2057 21.2971 21.3729 21.5049 21.6207 21.7077 21.8568 21.9253 22.0073 22.0680 22.3899 22.6235 22.7515 23.0245 23.1355 23.2233 23.3018 23.4393 23.5784 23.7076 23.8232 24.1101 24.2531 24.3205 24.5927 24.6411 24.8322 24.9515 25.1135 25.1780 25.4031 25.5037 25.6624 25.9317 26.1067 26.1651 26.7096 26.8501 27.0098 27.1058 27.2332 27.2887 27.4159 27.5188 27.6307 27.8858 28.0261 28.2091 28.3697 28.3908 28.5023 28.6664 28.8727 29.0517 29.1835 29.3383 29.3912 29.5043 29.5358 29.6055 29.7551 29.9294 30.0615 30.1996 30.3082 30.3973 30.5608 30.8611 30.9544 31.0970 31.2147 31.3854 31.4043 31.6154 31.7187 31.9948 32.0407 32.2566 32.4103 32.4936 32.7024 32.8314 32.9883 33.1517 33.2113 33.2301 33.4247 33.5193 33.6987 33.7631 34.0312 34.1320 34.2785 34.4460 34.4556 34.7866 34.9190 34.9945 35.1073 35.2647 35.4945 35.6832 35.9415 36.1024 36.1515 36.3177 36.4568 36.7113 36.9663 37.0076 37.1909 37.3282 37.4918 37.5426 37.7190 37.8415 37.9340 38.1619 38.2075 38.2300 38.3798 38.5017 38.6211 38.6955 38.7701 38.8692 38.9640 39.1107 39.3158 39.4745 39.5959 39.8629 40.1256 40.2525 40.4002 40.5830 40.7813 40.8735 40.9474 41.1457 41.2967 41.4614 41.5893 41.7806 41.9278 42.0147 42.1133 42.3607 42.5027 42.6895 42.7941 42.8295 43.0452 43.1038 43.3989 43.4742 43.6557 43.8399 43.9581 44.0796 44.1632 44.2632 44.3660 44.6466 44.8281 44.8455 45.0202 45.1506 45.3897 45.4531 45.7044 45.8749 45.9716 46.0836 46.1050 46.3658 46.5631 46.7105 46.8727 47.0462 47.2990 47.4035 47.4943 47.6006 47.7964 47.9463 48.3931 48.4208 48.6274 48.7965 48.8926 49.0576 49.2582 49.4503 49.6544 49.6800 50.1648 50.3505 50.5447 50.6484 50.6735 50.7765 50.9230 50.9957 51.2038 51.3144 51.5270 51.6303 51.8363 52.0678 52.1369 52.2529 52.6391 52.7835 52.8450 52.9976 53.1660 53.1880 53.3262 53.8087 54.0810 54.2590 54.6172 54.6979 54.9517 55.0277 55.1351 55.6779 55.7996 55.9861 56.2598 56.4381 56.5176 56.8796 57.0843 57.2709 57.3077 57.3556 57.4027 57.7604 57.8388 57.9468 58.1543 58.2426 58.8079 58.9925 59.1970 59.2740 59.3498 59.5689 59.7263 59.8975 60.0058 60.2916 60.3833 60.4953 60.9954 61.2800 61.4185 61.6992 61.8436 61.9958 62.2593 62.4524 62.8924 63.0081 63.2617 63.5690 63.7066 63.8501 63.9754 64.1066 64.1176 64.4338 64.5717 64.9993 65.1106 65.2171 65.4278 65.7023 65.9349 66.2470 66.4748 66.5808 66.9014 66.9604 67.1431 67.3441 67.6343 67.6420 67.9247 67.9810 68.1655 68.4355 68.6076 68.7166 69.1834 69.2945 69.4649 69.7740 70.1761 70.2053 70.7588 71.0146 71.4071 71.7888 71.9397 72.1335 72.6973 72.9021 73.2621 73.4417 73.6157 74.1483 74.1903 74.2407 74.3399 74.8180 74.9726 75.0155 75.2516 75.7052 75.9689 76.2093 76.3539 76.4675 76.6226 76.7008 76.8711 77.1421 77.1774 77.4304 77.5279 77.7020 77.8034 78.0014 78.3647 78.5914 78.7454 78.8593 78.9022 78.9695 79.0521 79.2719 79.3684 79.4671 79.7827 79.8556 80.0113 80.1603 80.1870 80.5064 80.5237 80.7038 80.7600 81.1989 81.4064 81.5732 81.7199 81.7717 82.0888 82.1201 82.1758 82.2840 82.4551 82.6185 82.7861 82.7934 82.9451 83.1484 83.2062 83.4065 83.5620 83.6218 83.9142 84.0624 84.4163 84.5663 84.6021 84.6905 84.7225 85.0334 85.1402 85.2965 85.3411 85.4484 85.5558 85.6592 85.8274 85.9582 86.0176 86.2030 86.2732 86.3060 86.3327 86.4808 86.7985 87.0623 87.0928 87.2019 87.3848 87.4842 87.7004 87.8866 88.0680 88.2403 88.4266 88.4502 88.6835 88.7423 88.8921 89.0261 89.0704 89.2142 89.2802 89.4428 89.4615 89.7061 89.9251 90.0987 90.1034 90.2790 90.5031 90.5323 90.6863 90.8477 90.9475 91.1121 91.2707 91.3648 91.5401 91.9584 91.9836 92.0477 92.2267 92.4202 92.5942 92.6506 92.8316 92.8726 93.0258 93.1382 93.2245 93.2659 93.3576 93.4994 93.5380 93.6581 93.8523 94.0171 94.1384 94.2942 94.4838 94.6187 94.7416 94.8822 95.0018 95.1162 95.1819 95.4899 95.6427 95.7487 95.8654 95.8981 96.0424 96.2092 96.3419 96.6214 96.7734 96.8369 96.8563 96.9840 97.2562 97.3022 97.4092 97.5835 97.7178 97.8573 98.0733 98.2264 98.2950 98.4481 98.5111 98.6626 98.8288 99.1841 99.3108 99.4912 99.5322 99.8448 99.9665 100.1365 100.1816 100.3390 100.5937 100.7001 100.9926 101.2021 101.3010 101.5325 101.7434 102.0065 102.2582 102.4670 102.7496 102.8381 103.0514 103.2688 103.4407 103.7931 103.9155 104.2229 104.3184 104.5066 104.7088 104.8302 104.9408 105.1933 105.2791 105.4410 105.5146 105.5810 105.6859 105.7721 105.9713 106.1106 106.1776 106.3074 106.5674 106.6872 106.8556 107.1453 107.1782 107.4435 107.5021 107.5744 107.8314 107.9337 108.1251 108.2908 108.3646 108.6006 108.8717 109.1027 109.1741 109.4630 109.7365 109.9318 109.9968 110.0708 110.3951 110.5790 110.7012 110.9156 111.1625 111.3161 111.4747 111.5649 111.8600 111.9458 112.2027 112.3582 112.5809 112.5964 112.8223 112.9977 113.2324 113.4764 113.5438 113.6301 113.7787 113.8089 114.4272 114.5603 114.6994 114.9794 115.0850 115.2704 115.3541 115.4571 115.7058 115.7482 116.0312 116.2751 116.3997 116.5449 116.5804 116.7778 116.8853 116.9834 117.0928 117.3118 117.4210 117.4768 117.7647 117.7814 118.0765 118.2111 118.2610 118.4435 118.5084 118.6005 118.8050 118.8358 118.9906 119.2011 119.2772 119.3424 119.8590 120.1055 120.2264 120.3531 120.4129 120.6134 120.6714 120.9842 121.1533 121.4285 121.4934 121.6775 121.9388 122.1194 122.3393 122.4401 122.6670 123.0201 123.3769 123.5365 123.6988 124.0293 124.2273 124.8771 125.0019 125.3101 125.7723 125.9339 126.1616 126.5754 126.6216 127.4175 127.8612 128.0717 128.3954 128.5731 128.8872 129.0509 129.1404 129.2893 129.5209 129.7189 129.7921 130.1795 130.3526 130.4658 130.7034 130.9061 131.0645 131.3146 131.5010 131.6313 131.9168 132.0904 132.2948 132.3690 132.9159 133.0945 133.2574 133.3685 133.7376 133.8755 134.0292 134.2533 134.4887 135.0183 135.2251 135.3170 135.6874 135.8246 135.9728 136.7044 137.2068 137.4066 137.6334 137.9835 138.1841 138.5259 138.5656 138.7608 138.8131 139.4111 139.5742 139.7154 140.1958 140.6269 141.1110 141.3792 141.4389 141.9951 142.4410 142.9349 143.2912 144.0278 144.1140 144.2528 144.4156 144.4739 144.6083 145.0223 145.0838 145.4217 145.6718 145.8037 146.2062 146.2924 146.5259 147.0014 147.3976 147.5727 147.9534 148.2210 148.3301 148.4931 148.6673 148.8683 149.1555 149.3032 149.7425 149.9432 150.1892 150.5266 150.6117 150.9611 151.1931 151.7176 152.1000 152.4391 152.5992 152.9857 153.3244 153.5544 153.8940 154.5533 154.6628 154.8199 155.1067 156.0443 156.1712 156.2846 156.8343 157.0903 157.4143 157.4793 158.2421 158.5812 158.9743 159.3395 159.7193 160.0278 160.5142 161.2345 161.4493 162.2970 162.7984 163.4202 164.5290 165.0918 167.4671 168.7863 169.9561 171.6228 172.1091 172.9761 173.3515 174.7127 176.1009 178.0783 178.6765 180.0246 181.0646 182.3067 185.6198 186.4220 186.8689 187.7986 189.4729 189.7006 192.3900 192.6130 193.5721 195.1941 197.0518 199.4594 202.7716 205.0492 206.6590 206.9097 221.3891 222.2216 222.3993 223.0049 223.2414 223.8269 225.8471 226.2023 228.1028 229.4533 294.6417 294.9524 295.9066 298.0869 308.7700 313.4329 607.5269 618.2072 620.6935 625.6115 630.0679 631.2328 632.2690 634.1761 634.2791 634.4973 635.3994 635.7198 637.0785 637.7446 639.5855 640.1012 643.4204 647.7149 650.4759 657.4944 658.4263 704.0735 709.1778 1200.7870 1209.8936 1215.2129 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 -0.032438 -0.044401 -0.261150 -0.386233 -0.298856 0.119453 -0.020041 -0.140401 -0.276772 -0.238511 -0.239696 0.365121 0.084595 0.054685 0.019803 -0.160633 -0.231780 0.258621 -0.071352 -0.222116 0.268796 -0.221295 -0.169004 -0.087962 -0.116352 -0.146571 0.108575 0.098606 0.092797 0.087187 0.094897 0.090327 0.084291 0.088046 0.117222 0.115295 0.102839 0.122756 0.113859 0.124777 0.124949 0.122146 0.133791 0.123515 0.124926 0.123688 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 17.0324 17.0444 8.2611 8.3862 8.2989 5.8805 6.0200 6.1404 6.2768 6.2385 6.2397 5.6349 5.9154 5.9453 5.9802 6.1606 6.2318 5.7414 6.0714 6.2221 5.7312 6.2213 6.1690 6.0880 6.1164 6.1466 0.8914 0.9014 0.9072 0.9128 0.9051 0.9097 0.9157 0.9120 0.8828 0.8847 0.8972 0.8772 0.8861 0.8752 0.8751 0.8779 0.8662 0.8765 0.8751 0.8763 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 -0.0324 -0.0444 -0.2611 -0.3862 -0.2989 0.1195 -0.0200 -0.1404 -0.2768 -0.2385 -0.2397 0.3651 0.0846 0.0547 0.0198 -0.1606 -0.2318 0.2586 -0.0714 -0.2221 0.2688 -0.2213 -0.1690 -0.0880 -0.1164 -0.1466 0.1086 0.0986 0.0928 0.0872 0.0949 0.0903 0.0843 0.0880 0.1172 0.1153 0.1028 0.1228 0.1139 0.1248 0.1249 0.1221 0.1338 0.1235 0.1249 0.1237 1.2994 1.2615 2.1285 2.1152 2.1179 3.7418 3.8434 3.8426 3.9127 3.9007 3.9055 4.2096 4.2090 3.8595 3.6545 3.9172 4.0099 3.8369 3.9079 4.0495 3.7945 4.0368 3.9420 3.9307 3.9568 3.9603 1.0267 1.0267 1.0012 1.0008 1.0061 1.0031 1.0228 1.0044 1.0163 0.9902 1.0099 1.0167 1.0163 0.9986 1.0133 1.0155 0.9972 0.9990 1.0004 1.0006 1.2994 1.2615 2.1285 2.1152 2.1179 3.7418 3.8434 3.8426 3.9127 3.9007 3.9055 4.2096 4.2090 3.8595 3.6545 3.9172 4.0099 3.8369 3.9079 4.0495 3.7945 4.0368 3.9420 3.9307 3.9568 3.9603 1.0267 1.0267 1.0012 1.0008 1.0061 1.0031 1.0228 1.0044 1.0163 0.9902 1.0099 1.0167 1.0163 0.9986 1.0133 1.0155 0.9972 0.9990 1.0004 1.0006 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.2123 1.1486 1.1663 0.8855 1.9553 0.9820 0.9577 0.9593 0.8470 0.9252 0.9590 0.9382 0.9732 0.9921 0.9970 1.0206 0.9969 0.9908 0.9898 0.9926 0.9814 0.9933 1.8744 0.9757 0.9137 0.9856 1.0205 1.3636 1.3876 1.3850 0.9546 1.4474 0.9810 1.4216 1.4336 0.9792 0.9715 1.4067 1.3701 1.4471 0.9733 1.4358 0.9628 1.4225 0.9755 1.4357 0.9742 0.9793 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 -0.024173170 -1958.448561155210 -23.60087 23.28020 -0.32067 17.51061 -17.94109 -0.43048 -16.43654 15.83335 -0.60319 0.80745 2.05238