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:4.1057,-3.0522,1.3879;5.0242,-4.0393,-1.1636;-1.7379,-1.3885,-1.1241;-.8369,-1.4666,.9293;-2.7775,3.4916,-.2195;1.5656,-.224,-.738;1.8613,-1.6249,-.278;.57,-1.3365,-1.004;2.2822,.3326,-1.945;1.2863,.8193,.3156;2.8835,-2.4532,-.9325;-.7107,-1.4108,-.263;3.8686,-3.0912,-.3124;-3.0551,-1.4232,-.603;-3.6535,-.0545,-.4059;-2.889,1.1011,-.4017;-5.0299,.0372,-.2123;-3.4979,2.3326,-.1862;-5.6276,1.2684,-.0119;-4.8647,2.4268,.0112;-1.6363,3.6032,.5181;-1.4726,2.9799,1.7497;-.638,4.4236,.0082;-.3039,3.1888,2.4657;.521,4.6284,.7399;.6967,4.0105,1.9693;1.7507,-1.7793,.7893;.5039,-1.6513,-2.0399;3.2657,.7121,-1.6635;2.427,-.4015,-2.7368;1.7148,1.162,-2.3697;2.2212,1.2892,.6243;.6425,1.611,-.0737;.8135,.4116,1.2055;2.8451,-2.5597,-2.0097;-3.645,-1.9786,-1.3336;-3.0823,-1.9759,.3391;-1.8214,1.0665,-.5748;-5.6384,-.8594,-.2248;-6.698,1.3309,.1328;-5.3202,3.3948,.1708;-2.2463,2.3391,2.1518;-.7819,4.9026,-.9514;-.1802,2.7023,3.4243;1.2938,5.272,.3405;1.6038,4.1689,2.5366; 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 2543.1515621008 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 5.959e-06 Time for diagonalization 0.361 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.329 sec Total time needed 0.698 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:4.1057,-3.0522,1.3879;5.0242,-4.0393,-1.1636;-1.7379,-1.3885,-1.1241;-.8369,-1.4666,.9293;-2.7775,3.4916,-.2195;1.5656,-.224,-.738;1.8613,-1.6249,-.278;.57,-1.3365,-1.004;2.2822,.3326,-1.945;1.2863,.8193,.3156;2.8835,-2.4532,-.9325;-.7107,-1.4108,-.263;3.8686,-3.0912,-.3124;-3.0551,-1.4232,-.603;-3.6535,-.0545,-.4059;-2.889,1.1011,-.4017;-5.0299,.0372,-.2123;-3.4979,2.3326,-.1862;-5.6276,1.2684,-.0119;-4.8647,2.4268,.0112;-1.6363,3.6032,.5181;-1.4726,2.9799,1.7497;-.638,4.4236,.0082;-.3039,3.1888,2.4657;.521,4.6284,.7399;.6967,4.0105,1.9693;1.7507,-1.7793,.7893;.5039,-1.6513,-2.0399;3.2657,.7121,-1.6635;2.427,-.4015,-2.7368;1.7148,1.162,-2.3697;2.2212,1.2892,.6243;.6425,1.611,-.0737;.8135,.4116,1.2055;2.8451,-2.5597,-2.0097;-3.645,-1.9786,-1.3336;-3.0823,-1.9759,.3391;-1.8214,1.0665,-.5748;-5.6384,-.8594,-.2248;-6.698,1.3309,.1329;-5.3202,3.3948,.1708;-2.2463,2.3391,2.1518;-.7819,4.9026,-.9514;-.1802,2.7023,3.4243;1.2938,5.272,.3405;1.6038,4.1689,2.5366; 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:4.1057,-3.0522,1.3879;5.0242,-4.0393,-1.1636;-1.7379,-1.3885,-1.1241;-.8369,-1.4666,.9293;-2.7775,3.4916,-.2195;1.5656,-.224,-.738;1.8613,-1.6249,-.278;.57,-1.3365,-1.004;2.2822,.3326,-1.945;1.2863,.8193,.3156;2.8835,-2.4532,-.9325;-.7107,-1.4108,-.263;3.8686,-3.0912,-.3124;-3.0551,-1.4232,-.603;-3.6535,-.0545,-.4059;-2.889,1.1011,-.4017;-5.0299,.0372,-.2123;-3.4979,2.3326,-.1862;-5.6276,1.2684,-.0119;-4.8647,2.4268,.0112;-1.6363,3.6032,.5181;-1.4726,2.9799,1.7497;-.638,4.4236,.0082;-.3039,3.1888,2.4657;.521,4.6284,.7399;.6967,4.0105,1.9693;1.7507,-1.7793,.7893;.5039,-1.6513,-2.0399;3.2657,.7121,-1.6635;2.427,-.4015,-2.7368;1.7148,1.162,-2.3697;2.2212,1.2892,.6243;.6425,1.611,-.0737;.8135,.4116,1.2055;2.8451,-2.5597,-2.0097;-3.645,-1.9786,-1.3336;-3.0823,-1.9759,.3391;-1.8214,1.0665,-.5748;-5.6384,-.8594,-.2248;-6.698,1.3309,.1328;-5.3202,3.3948,.1708;-2.2463,2.3391,2.1518;-.7819,4.9026,-.9514;-.1802,2.7023,3.4243;1.2938,5.272,.3405;1.6038,4.1689,2.5366; -1958.42599816 2543.15156210 -4501.57756026 -7739.27698337 3237.69942311 -3911.03201192 1952.60601376 2.00298062 102.000110990841 102.000110990841 204.000221981683 -143.515344265260 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 -2765.5916 -2765.5554 -524.8378 -524.5619 -523.0732 -283.4029 -282.8293 -281.6151 -281.6016 -281.5432 -280.7407 -280.4597 -280.4194 -280.4120 -280.3879 -280.0434 -279.9425 -279.9338 -279.9270 -279.8751 -279.8386 -279.8231 -279.8061 -279.7278 -279.6954 -279.3867 -260.8601 -260.8233 -199.7030 -199.6679 -199.4556 -199.4474 -199.4158 -199.4118 -33.7368 -32.9801 -31.2255 -28.4278 -27.7356 -27.1076 -26.6801 -25.9589 -24.8680 -24.1768 -24.1276 -23.7496 -23.5631 -23.2149 -22.6969 -22.1858 -20.9475 -20.5480 -19.8872 -19.6226 -19.0180 -18.8905 -18.2969 -18.1644 -17.9730 -17.0434 -16.9488 -16.5168 -16.3010 -16.1920 -15.9540 -15.8602 -15.7935 -15.6556 -15.0887 -14.9898 -14.8752 -14.7397 -14.5881 -14.3923 -14.1237 -14.0915 -13.9416 -13.8076 -13.7599 -13.6186 -13.2454 -13.1062 -12.9684 -12.8267 -12.6315 -12.5251 -12.4108 -12.2629 -12.0331 -11.8967 -11.6970 -11.6538 -11.4070 -11.1509 -11.1303 -10.6397 -10.3122 -9.6635 -9.4301 -9.2585 -8.9281 -8.4873 1.2722 1.4381 1.4973 1.8065 1.9905 2.2162 2.6058 2.8502 3.1503 3.5294 3.5729 3.9223 4.1501 4.2103 4.2649 4.3307 4.5149 4.6297 4.7714 4.8837 4.9490 4.9971 5.1331 5.2906 5.3341 5.4293 5.5470 5.7528 5.8687 6.0574 6.1273 6.2740 6.3856 6.4396 6.6108 6.7102 6.8517 7.0095 7.1190 7.3104 7.3892 7.5376 7.6653 7.7335 7.9316 7.9428 8.0241 8.0957 8.2656 8.3165 8.4791 8.5457 8.6962 8.7417 8.8117 8.9165 9.0881 9.1585 9.3659 9.4322 9.5694 9.6192 9.6866 9.8550 10.0418 10.1128 10.2513 10.3866 10.4582 10.5261 10.6947 10.8594 10.9236 11.1031 11.1335 11.3244 11.3635 11.4287 11.4936 11.5340 11.6965 11.7921 11.8361 11.9678 12.0215 12.1089 12.1376 12.2560 12.3625 12.3916 12.5531 12.6680 12.7278 12.8096 12.8512 12.9348 13.0489 13.1475 13.1949 13.2657 13.3750 13.4378 13.5290 13.6716 13.7060 13.8284 13.9076 14.1374 14.1564 14.2013 14.2686 14.3279 14.4323 14.5324 14.7758 14.8029 14.9237 14.9615 15.0661 15.0865 15.2101 15.3339 15.4592 15.5721 15.6275 15.8056 15.8454 15.9505 15.9988 16.2161 16.2993 16.3391 16.4335 16.5776 16.6790 16.7379 16.8466 16.9982 17.2102 17.2558 17.4634 17.5533 17.6488 17.8627 18.0629 18.2276 18.5112 18.6373 18.6997 18.8556 19.0197 19.1000 19.2470 19.3974 19.5748 19.7466 19.8845 20.1060 20.1458 20.2662 20.3523 20.4154 20.4673 20.7072 20.7699 20.8589 20.9568 21.0499 21.1996 21.3138 21.5048 21.6983 21.8048 21.8545 21.9423 22.0534 22.2185 22.2900 22.5630 22.8207 23.0257 23.0730 23.1224 23.1936 23.4306 23.5118 23.6217 23.7657 23.9523 24.0387 24.3134 24.4365 24.6111 24.6626 24.7819 24.9629 25.1948 25.3144 25.4173 25.6613 25.7203 25.8625 26.0863 26.2983 26.3793 26.5695 26.6169 26.9962 27.1331 27.3536 27.5959 27.7057 27.8081 28.0609 28.1174 28.2776 28.4056 28.5064 28.6892 28.7803 28.8496 29.0322 29.2630 29.4567 29.5535 29.6624 29.7671 29.9530 30.0176 30.0408 30.4821 30.5633 30.6521 30.7835 30.8460 31.0173 31.0495 31.3814 31.4073 31.4258 31.5786 31.6500 31.9034 31.9869 32.1926 32.2851 32.3508 32.5165 32.5803 32.8892 33.0585 33.2911 33.5276 33.5826 33.6554 33.7928 33.9978 34.2207 34.3378 34.4003 34.5637 34.7945 34.9507 35.0807 35.2457 35.3917 35.6423 35.7256 35.7752 35.8821 36.1064 36.3595 36.3829 36.4734 36.6330 36.6992 36.9124 37.0224 37.1448 37.3619 37.4668 37.5891 37.7441 37.8993 38.0328 38.2525 38.3700 38.4642 38.5903 38.6573 38.7962 38.8392 39.0072 39.2314 39.2977 39.5039 39.6757 39.6903 39.8197 40.0606 40.2354 40.3102 40.4820 40.5345 40.8460 40.9634 41.2462 41.3666 41.5096 41.6436 41.8786 41.9631 42.0326 42.0676 42.3022 42.4602 42.5411 42.6277 42.9001 43.0965 43.1631 43.3878 43.4531 43.6597 43.7986 43.9374 44.0780 44.1389 44.3105 44.4688 44.5523 44.6132 44.7122 45.1409 45.3480 45.5188 45.5215 45.5843 45.7231 45.9670 46.0620 46.1024 46.4530 46.4953 46.8853 46.9839 47.2010 47.2416 47.3273 47.7947 47.8057 48.0791 48.1541 48.2902 48.5844 48.7234 48.7886 48.8657 49.0444 49.3299 49.5220 49.5801 49.8708 49.9871 50.2769 50.3520 50.4793 50.6683 50.7840 50.8948 51.0895 51.2367 51.3899 51.4408 51.6471 51.9401 52.0754 52.1408 52.2938 52.4237 52.5292 52.6027 52.8557 52.9552 53.0961 53.4900 53.5980 53.7144 53.8804 54.2856 54.5957 54.9669 55.1235 55.2107 55.5010 55.5813 55.9616 56.1481 56.4934 56.5748 56.7349 57.0526 57.1800 57.2570 57.6167 57.7717 57.8977 58.0756 58.2038 58.3579 58.5396 58.6815 58.8261 58.9505 59.0930 59.3719 59.4611 59.6344 59.7368 59.7837 60.1586 60.3239 60.3984 60.6239 61.1992 61.3358 61.3993 61.5304 61.8209 62.0578 62.3618 62.5749 63.0081 63.0721 63.1647 63.2842 63.5175 63.6375 63.8070 64.1081 64.2396 64.3437 64.5721 64.6322 64.9797 65.0480 65.5491 65.6618 65.9208 66.2105 66.3393 66.5090 66.5988 66.7392 66.8476 67.3121 67.5639 67.6571 67.7935 67.9285 68.2140 68.4864 68.8545 69.0977 69.1061 69.3812 69.7034 70.0946 70.3266 70.3601 70.7695 71.8556 72.0343 72.1292 72.3763 72.6666 72.9974 73.2286 73.4347 73.8178 74.0044 74.1746 74.1834 74.4545 74.5303 74.7362 75.0625 75.1316 75.2438 75.7254 75.8826 76.1668 76.2487 76.4396 76.4690 76.6745 76.8203 76.8815 77.3746 77.5327 77.6864 77.8119 77.9942 78.1110 78.2773 78.4056 78.6557 78.8062 78.9345 79.0557 79.1402 79.3526 79.4318 79.5381 79.6366 79.8149 79.8742 80.0414 80.2367 80.3330 80.4506 80.7342 80.9191 81.2116 81.3248 81.4255 81.5039 81.8443 82.0422 82.1625 82.2018 82.4118 82.5256 82.6052 82.6424 82.7234 82.9128 83.1264 83.3656 83.5055 83.5680 83.7288 83.7818 84.0315 84.1028 84.4263 84.5378 84.6809 84.7481 84.8843 84.9687 85.1446 85.3794 85.5875 85.7637 85.8117 85.9672 85.9945 86.1052 86.2718 86.3791 86.5207 86.6841 86.7226 86.7849 86.9242 87.0444 87.1807 87.4454 87.7352 87.8663 87.9931 88.1533 88.2523 88.3746 88.4463 88.5835 88.7421 88.8245 88.9431 89.1478 89.3172 89.3959 89.4458 89.7180 89.8003 89.9265 89.9819 90.0292 90.2183 90.3137 90.4273 90.7091 90.9713 91.1711 91.2764 91.2919 91.5594 91.6509 91.7814 91.9352 91.9883 92.2899 92.4527 92.5762 92.6791 92.7562 92.8517 93.0353 93.1096 93.2539 93.2991 93.4323 93.6397 93.7090 93.7733 93.9249 94.0646 94.3212 94.3779 94.5115 94.6346 94.7598 94.8535 95.0494 95.2174 95.2489 95.3858 95.6678 95.7797 95.9114 96.0645 96.2942 96.4207 96.4982 96.6890 96.9532 97.0153 97.1448 97.1758 97.3803 97.4238 97.6245 97.8556 97.9767 98.0637 98.1114 98.3229 98.4699 98.5372 98.5895 98.7383 98.9422 99.0761 99.1901 99.5158 99.6162 99.6721 100.1346 100.3230 100.4668 100.6424 100.8197 100.9297 101.2125 101.2337 101.2810 101.6628 101.7569 102.1329 102.3643 102.4984 102.6157 102.9770 103.0224 103.2398 103.6158 103.8630 104.0149 104.2448 104.4323 104.5876 104.6517 104.8436 104.9641 105.1076 105.1276 105.3245 105.4629 105.5708 105.7067 105.8140 105.9050 106.1004 106.3460 106.5251 106.6149 106.7591 107.0226 107.1102 107.1662 107.3758 107.6145 107.7209 107.9068 108.0424 108.3802 108.5217 108.6441 108.8948 109.1602 109.3882 109.4718 109.7390 109.7832 110.0380 110.2781 110.3913 110.5140 110.7120 110.8440 110.9586 111.1735 111.2687 111.3877 111.5497 111.7880 111.9563 112.2675 112.4035 112.6449 112.8560 113.0267 113.2267 113.4041 113.7744 113.8387 113.9718 114.0886 114.1152 114.3716 114.7231 114.7911 115.0106 115.1093 115.2419 115.4655 115.5414 115.8495 116.0844 116.2293 116.3944 116.5487 116.6374 116.8049 116.8574 117.0895 117.1616 117.3437 117.4561 117.5910 117.7875 117.8776 117.9688 118.1279 118.2303 118.2509 118.4737 118.4869 118.6123 118.9836 119.0080 119.1414 119.2375 119.4259 119.5397 119.6862 120.0086 120.2567 120.3929 120.5199 120.5875 120.8160 120.9773 121.1557 121.7073 121.7987 122.0932 122.2716 122.3342 122.6911 122.9340 123.3135 123.3397 123.6892 123.9840 124.2856 124.4274 124.7116 124.8003 125.3098 125.6573 125.8322 126.1779 126.4143 126.5296 126.7005 127.2365 127.6439 127.9112 128.3311 128.6987 129.2162 129.3292 129.4148 129.5601 129.7328 129.8970 130.0612 130.2366 130.4363 130.5467 130.6375 131.0121 131.1196 131.3957 131.5007 131.6352 131.7673 131.9245 132.1778 132.4012 132.7359 132.9012 133.0716 133.6728 133.9190 134.1417 134.4960 134.6141 134.8805 135.0174 135.2051 135.5320 135.6952 136.2472 136.5172 137.0162 137.2891 137.6587 138.0203 138.1687 138.4349 138.4952 138.5520 138.8748 139.0483 139.5044 139.6706 139.8259 140.2187 140.4734 141.0932 141.2120 141.6228 141.8540 142.5356 142.8998 143.3439 143.7059 144.0649 144.2550 144.3904 144.4991 144.9005 145.0272 145.1585 145.5901 145.7461 146.0911 146.2776 146.3900 146.5514 146.9971 147.2206 147.6091 147.8696 148.2029 148.2885 148.5689 148.9090 149.2698 149.4256 149.7879 149.9744 150.2282 150.3936 150.5699 150.8297 151.3370 151.4017 152.3078 152.3317 152.9830 153.0496 153.2509 153.5101 153.8277 154.5929 154.6483 155.0956 155.3468 155.9687 156.2981 156.3541 156.6277 157.0736 157.2406 157.6409 158.0364 158.9009 159.4364 159.6982 159.9759 160.4026 160.6950 160.8221 161.8243 162.1068 163.2401 163.2786 163.9007 164.5574 165.0174 167.3873 168.9480 170.2730 171.1958 172.5131 173.3840 173.7595 174.8288 176.5511 177.9514 178.3945 179.7869 180.8322 182.1558 185.3317 186.2133 186.5699 187.5844 189.3455 189.8688 192.2292 192.7947 194.3864 195.9527 196.1719 198.9365 202.0328 204.8072 206.6115 207.3988 221.4399 221.8448 222.5124 223.0056 223.0822 223.6232 225.8809 226.0715 227.9787 229.4522 294.5940 294.8471 295.7728 297.1897 308.6568 313.4647 608.8481 619.1047 622.3487 626.5392 629.0379 631.3785 632.3593 634.2186 634.4788 635.3129 635.5616 635.6542 637.0480 637.1407 638.9481 640.7743 642.7808 647.8209 651.1414 657.4049 658.3544 702.2270 708.0823 1200.6386 1211.3469 1215.2008 -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 -0.041392 -0.048328 -0.267690 -0.360761 -0.298474 0.109145 0.043804 -0.091940 -0.240178 -0.263948 -0.201904 0.295023 0.046259 0.047210 0.046188 -0.145472 -0.188441 0.203086 -0.094253 -0.194105 0.213834 -0.125166 -0.191031 -0.137337 -0.096403 -0.150266 0.088153 0.076717 0.098043 0.071824 0.096646 0.097100 0.056559 0.108391 0.097635 0.110974 0.116483 0.121357 0.108354 0.125415 0.126777 0.130312 0.123835 0.129251 0.124149 0.124562 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 17.0414 17.0483 8.2677 8.3608 8.2985 5.8909 5.9562 6.0919 6.2402 6.2639 6.2019 5.7050 5.9537 5.9528 5.9538 6.1455 6.1884 5.7969 6.0943 6.1941 5.7862 6.1252 6.1910 6.1373 6.0964 6.1503 0.9118 0.9233 0.9020 0.9282 0.9034 0.9029 0.9434 0.8916 0.9024 0.8890 0.8835 0.8786 0.8916 0.8746 0.8732 0.8697 0.8762 0.8707 0.8759 0.8754 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 -0.0414 -0.0483 -0.2677 -0.3608 -0.2985 0.1091 0.0438 -0.0919 -0.2402 -0.2639 -0.2019 0.2950 0.0463 0.0472 0.0462 -0.1455 -0.1884 0.2031 -0.0943 -0.1941 0.2138 -0.1252 -0.1910 -0.1373 -0.0964 -0.1503 0.0882 0.0767 0.0980 0.0718 0.0966 0.0971 0.0566 0.1084 0.0976 0.1110 0.1165 0.1214 0.1084 0.1254 0.1268 0.1303 0.1238 0.1293 0.1241 0.1246 1.2860 1.2572 2.1288 2.1357 2.1065 3.7614 3.8266 3.8832 3.9019 3.9020 3.9110 4.2890 4.2403 3.8796 3.6990 3.9654 4.0018 3.8688 3.9477 4.0319 3.8137 3.8720 3.9813 3.9073 3.9215 3.9097 1.0501 1.0377 1.0038 1.0100 1.0034 1.0056 1.0099 1.0145 1.0278 0.9894 1.0087 0.9971 1.0096 0.9997 1.0116 1.0068 1.0147 1.0006 0.9991 1.0014 1.2860 1.2572 2.1288 2.1357 2.1065 3.7614 3.8266 3.8832 3.9019 3.9020 3.9110 4.2890 4.2403 3.8796 3.6990 3.9654 4.0018 3.8688 3.9477 4.0319 3.8137 3.8720 3.9813 3.9073 3.9215 3.9097 1.0501 1.0377 1.0038 1.0100 1.0034 1.0056 1.0099 1.0145 1.0278 0.9894 1.0087 0.9971 1.0096 0.9997 1.0116 1.0068 1.0147 1.0006 0.9991 1.0014 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.2008 1.1529 1.1284 0.9322 1.9980 0.9437 0.9756 0.8968 0.8611 0.9653 0.9589 0.9480 1.0125 0.9830 1.0446 1.0147 0.9935 0.9837 0.9888 0.9855 0.9930 0.9787 1.8655 0.9587 0.9202 0.9700 1.0173 1.3897 1.3862 1.3945 0.9523 1.4697 0.9783 1.4401 1.4192 0.9750 0.9686 1.3538 1.3993 1.4116 0.9716 1.4427 0.9805 1.4020 0.9866 1.4112 0.9812 0.9906 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 -0.025538216 -1958.451536375072 -22.57517 22.04891 -0.52626 26.97713 -26.61876 0.35837 -2.63021 2.05679 -0.57341 0.85685 2.17793