Orca 5.0.2 RELEASE 1 2 3 4 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 Cl Cl O O O C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H 1 1 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-5.1247,4.1481,-1.5037;-3.1446,5.9957,-.5157;.147,.4049,-1.6299;-.0192,2.071,-.1477;3.393,-3.6998,-.3343;-2.8682,.9055,.3662;-3.0608,1.9329,-.7101;-1.9756,.8722,-.8561;-3.9026,-.1927,.441;-2.3423,1.3081,1.7215;-2.7489,3.3527,-.4983;-.5336,1.205,-.8091;-3.566,4.3533,-.8021;1.5685,.5623,-1.7;2.2641,-.2725,-.6633;2.502,-1.617,-.9199;2.6558,.2724,.5545;3.1398,-2.4099,.0227;3.2909,-.5272,1.4921;3.5422,-1.8662,1.237;3.4251,-4.6846,.6104;2.432,-4.8124,1.5741;4.4612,-5.6043,.5417;2.4902,-5.8651,2.4736;4.5015,-6.6584,1.4417;3.5215,-6.7914,2.4137;-3.9085,1.7573,-1.3621;-2.2094,.0945,-1.5736;-4.7506,.123,1.0507;-4.2862,-.4641,-.5432;-3.4811,-1.0924,.8925;-1.8934,.4487,2.2219;-1.5948,2.0942,1.6898;-3.1699,1.6572,2.3409;-1.7962,3.6182,-.0616;1.8351,.2265,-2.7018;1.8437,1.6135,-1.6082;2.2029,-2.0588,-1.863;2.4619,1.3149,.7671;3.6054,-.1026,2.4362;4.0532,-2.4734,1.9726;1.6187,-4.0994,1.6195;5.2243,-5.4925,-.2173;1.7156,-5.9648,3.2225;5.3098,-7.3753,1.3841;3.5578,-7.6125,3.1165; 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 2406.4327470630 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.133e-06 Time for diagonalization 0.432 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.204 sec Total time needed 0.642 sec 17 17 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-5.1247,4.1481,-1.5037;-3.1446,5.9957,-.5157;.147,.4049,-1.6299;-.0192,2.071,-.1477;3.393,-3.6998,-.3343;-2.8682,.9055,.3662;-3.0608,1.9329,-.7101;-1.9756,.8722,-.8561;-3.9026,-.1927,.441;-2.3423,1.3081,1.7215;-2.7489,3.3527,-.4983;-.5336,1.205,-.8091;-3.566,4.3533,-.8021;1.5685,.5623,-1.7;2.2641,-.2725,-.6633;2.502,-1.617,-.9199;2.6558,.2724,.5545;3.1398,-2.4099,.0227;3.2909,-.5272,1.4921;3.5422,-1.8662,1.237;3.4251,-4.6846,.6104;2.432,-4.8124,1.5741;4.4612,-5.6043,.5417;2.4902,-5.8651,2.4736;4.5015,-6.6584,1.4417;3.5215,-6.7914,2.4137;-3.9085,1.7573,-1.3621;-2.2094,.0945,-1.5736;-4.7506,.123,1.0507;-4.2862,-.4641,-.5432;-3.4811,-1.0924,.8925;-1.8934,.4487,2.2219;-1.5948,2.0942,1.6898;-3.1699,1.6572,2.3409;-1.7962,3.6182,-.0616;1.8351,.2265,-2.7018;1.8437,1.6135,-1.6082;2.2029,-2.0588,-1.863;2.4619,1.3149,.7671;3.6054,-.1026,2.4362;4.0532,-2.4734,1.9726;1.6187,-4.0994,1.6195;5.2243,-5.4925,-.2173;1.7156,-5.9648,3.2225;5.3098,-7.3753,1.3841;3.5578,-7.6125,3.1165; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-5.1247,4.1481,-1.5037;-3.1446,5.9957,-.5157;.147,.4049,-1.6299;-.0192,2.071,-.1477;3.393,-3.6998,-.3343;-2.8682,.9055,.3662;-3.0608,1.9329,-.7101;-1.9756,.8722,-.8561;-3.9026,-.1927,.441;-2.3423,1.3081,1.7215;-2.7489,3.3527,-.4983;-.5336,1.205,-.8091;-3.566,4.3533,-.8021;1.5685,.5623,-1.7;2.2641,-.2725,-.6633;2.502,-1.617,-.9199;2.6558,.2724,.5545;3.1398,-2.4099,.0227;3.2909,-.5272,1.4921;3.5422,-1.8662,1.237;3.4251,-4.6846,.6104;2.432,-4.8124,1.5741;4.4612,-5.6043,.5417;2.4902,-5.8651,2.4736;4.5015,-6.6584,1.4417;3.5215,-6.7914,2.4137;-3.9085,1.7573,-1.3621;-2.2094,.0945,-1.5736;-4.7506,.123,1.0507;-4.2862,-.4641,-.5432;-3.4811,-1.0924,.8925;-1.8934,.4487,2.2219;-1.5948,2.0942,1.6898;-3.1699,1.6572,2.3409;-1.7962,3.6182,-.0616;1.8351,.2265,-2.7018;1.8437,1.6135,-1.6082;2.2029,-2.0588,-1.863;2.4619,1.3149,.7671;3.6054,-.1026,2.4362;4.0532,-2.4734,1.9726;1.6187,-4.0994,1.6195;5.2243,-5.4925,-.2173;1.7156,-5.9648,3.2225;5.3098,-7.3753,1.3841;3.5578,-7.6125,3.1165; -1958.42593520 2406.43274706 -4364.85868226 -7466.02814963 3101.16946737 -3911.03785613 1952.61192093 2.00297756 102.000055594059 102.000055594059 204.000111188117 -143.513195383185 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 -2765.5314 -2765.4191 -524.7667 -524.6070 -523.0391 -283.4177 -282.7074 -281.6587 -281.6091 -281.4506 -280.7240 -280.5288 -280.4277 -280.2536 -280.2097 -280.0085 -279.9895 -279.9819 -279.9239 -279.9145 -279.8738 -279.8680 -279.8194 -279.7455 -279.6860 -279.4671 -260.8007 -260.6874 -199.6419 -199.5320 -199.3967 -199.3891 -199.2800 -199.2758 -33.6808 -33.0181 -31.1373 -28.3195 -27.6937 -27.0954 -26.7019 -25.8523 -24.7938 -24.2544 -24.1176 -23.8339 -23.4790 -23.1142 -22.6714 -22.2122 -20.8914 -20.5200 -19.9756 -19.7745 -19.1489 -18.7839 -18.2881 -17.8919 -17.7228 -17.0122 -16.9574 -16.4487 -16.3782 -16.2280 -16.0963 -15.9254 -15.8129 -15.3977 -15.1900 -15.0350 -14.7983 -14.6087 -14.4676 -14.3637 -14.2804 -14.0055 -13.9439 -13.8210 -13.7662 -13.4706 -13.2112 -13.0752 -13.0457 -12.8264 -12.6584 -12.5553 -12.3270 -12.2168 -12.0167 -11.8160 -11.8097 -11.5664 -11.3821 -11.0869 -11.0244 -10.5265 -10.3729 -9.6662 -9.4626 -9.4115 -8.8318 -8.4777 1.1441 1.4736 1.5419 1.6741 2.0241 2.3057 2.6567 3.0235 3.4419 3.5389 3.6642 3.8451 3.9481 4.2557 4.3360 4.4707 4.4990 4.6360 4.7808 4.8430 4.9579 5.0135 5.1492 5.1976 5.2744 5.4259 5.7076 5.7937 5.8140 5.9848 6.0056 6.1375 6.2112 6.2520 6.3982 6.5657 6.8854 6.9832 7.1495 7.2944 7.3471 7.4626 7.5178 7.5545 7.6713 7.7264 7.8483 7.9589 8.0799 8.2435 8.3678 8.4469 8.5382 8.6754 8.7712 8.8325 8.9207 9.0228 9.2475 9.3552 9.4376 9.4898 9.6275 9.6748 9.7622 9.9104 9.9831 10.1311 10.2618 10.4131 10.5094 10.6472 10.7168 10.9020 10.9265 10.9713 11.2027 11.2520 11.3477 11.4502 11.4752 11.5709 11.6254 11.7488 11.8016 11.8267 11.9715 12.0449 12.1088 12.2337 12.3419 12.4228 12.5947 12.6224 12.7201 12.8096 12.8206 12.9407 13.1327 13.1724 13.2203 13.2610 13.3178 13.3856 13.5512 13.6136 13.6800 13.7245 13.7566 13.8940 13.9505 14.0476 14.1400 14.3742 14.4336 14.5202 14.5865 14.6960 14.9083 14.9931 15.0363 15.1505 15.2069 15.3562 15.4173 15.5281 15.6804 15.7191 15.7866 15.8077 15.8685 16.0754 16.1469 16.2383 16.3785 16.4886 16.5267 16.7342 16.8019 16.9618 17.0488 17.2515 17.3838 17.4394 17.5928 17.9245 18.0890 18.2101 18.2602 18.4355 18.4661 18.6558 18.8400 18.9998 19.1384 19.2705 19.3956 19.5925 19.7285 19.8171 19.9496 20.0090 20.2488 20.3690 20.4539 20.5625 20.7305 20.9480 21.0607 21.1555 21.2851 21.4142 21.4963 21.7201 21.7998 21.9058 22.0136 22.1962 22.3451 22.4801 22.6379 22.7075 22.7823 22.8867 23.1165 23.1902 23.5110 23.6053 23.7002 23.8343 24.0263 24.1341 24.2023 24.4425 24.5000 24.6691 24.7892 24.9451 25.0470 25.1226 25.2847 25.4344 25.5756 25.9011 25.9719 26.3488 26.5673 26.7980 27.0307 27.1034 27.1759 27.2851 27.3843 27.5099 27.5829 27.7266 27.9696 28.1976 28.4908 28.5671 28.7431 28.8363 28.8617 29.0468 29.1134 29.2550 29.2917 29.4824 29.6053 29.7915 29.9455 30.0351 30.2453 30.3190 30.4535 30.6094 30.7472 30.7801 30.8981 31.0525 31.1070 31.2119 31.4303 31.5003 31.7262 31.8588 32.0670 32.1471 32.3504 32.4007 32.5524 32.5542 32.8926 33.0169 33.1832 33.2148 33.5925 33.6302 33.8385 34.0557 34.0875 34.3674 34.3994 34.5995 34.7730 35.0235 35.0665 35.1823 35.4298 35.4913 35.6599 35.8059 35.8792 36.1600 36.2982 36.4595 36.7813 36.9912 37.0246 37.1493 37.2420 37.3373 37.5256 37.7096 37.7395 37.8524 37.9971 38.1589 38.2769 38.3579 38.4285 38.5449 38.7033 38.8240 39.0684 39.1337 39.2864 39.3868 39.5153 39.6118 39.9086 40.1212 40.2187 40.3727 40.4759 40.5978 40.6433 40.7828 41.0321 41.2052 41.3852 41.6154 41.6924 41.9836 42.0693 42.2102 42.2752 42.6358 42.6702 42.8086 42.9716 43.0808 43.3261 43.3641 43.4846 43.5445 43.6389 43.7586 43.8925 44.1423 44.3694 44.4174 44.5191 44.6575 44.6755 44.9250 45.0634 45.3342 45.4178 45.6299 45.6547 45.7903 45.8752 46.0951 46.3607 46.6032 46.6616 46.8238 47.0584 47.0882 47.1778 47.4980 47.5457 47.7393 47.9057 47.9739 48.2995 48.3405 48.8233 48.8540 49.1017 49.2715 49.3958 49.6465 49.8545 49.9746 50.2620 50.3608 50.5972 50.7471 50.8480 50.9402 50.9877 51.1909 51.4509 51.6141 51.9684 52.0225 52.2246 52.3143 52.5650 52.6364 52.6678 52.8260 53.0612 53.1565 53.4532 53.5591 53.6816 54.2139 54.3264 54.5769 54.7554 54.8772 54.9348 55.4268 55.5479 55.7645 56.1932 56.2727 56.6131 56.7531 56.9001 57.0391 57.3992 57.4271 57.5252 57.8150 57.8743 58.1030 58.3206 58.4367 58.6458 58.8649 59.1828 59.3031 59.3767 59.4741 59.5909 59.7561 59.8571 60.2217 60.2784 60.5802 60.7612 61.0164 61.3344 61.3931 61.5932 61.7821 61.9650 62.4791 62.9244 63.1258 63.2483 63.4051 63.4176 63.5174 63.7693 63.8456 63.8691 64.1015 64.4897 64.5522 64.7808 64.9827 65.0627 65.2988 65.5391 65.8086 65.8559 66.1599 66.3816 66.5335 66.7315 67.1377 67.2331 67.3942 67.6374 67.8158 67.8413 68.1246 68.2050 68.6664 69.1161 69.2166 69.4963 69.8705 70.4010 70.6836 70.8879 71.2077 71.5245 71.7675 71.8920 72.0492 72.4389 73.0063 73.1181 73.5710 73.6332 73.8696 74.0543 74.2762 74.2906 74.5643 74.8736 75.0773 75.3356 75.3827 75.5880 75.8434 75.9504 76.2529 76.4350 76.6654 76.8101 76.8787 77.1175 77.3144 77.3962 77.4248 77.7365 77.8160 78.1274 78.2767 78.4164 78.5334 78.5764 78.7839 78.8501 78.9653 79.1999 79.3290 79.3571 79.5308 79.6128 79.7219 79.8450 79.9879 80.3706 80.7012 80.8809 81.0311 81.0859 81.3202 81.3605 81.4243 81.8715 81.9147 82.0452 82.2654 82.3953 82.4489 82.5441 82.6183 82.7382 82.8298 83.1072 83.1718 83.4388 83.5940 83.7958 83.9471 84.0143 84.2429 84.4092 84.4775 84.6362 84.6926 84.8374 84.9204 85.0855 85.1728 85.3052 85.3937 85.4398 85.5224 85.7073 85.8169 85.9138 86.0003 86.3174 86.4221 86.4476 86.4705 86.7738 86.9479 86.9939 87.3432 87.7116 87.8318 87.9784 88.0721 88.2157 88.4296 88.5151 88.6846 88.7758 88.8318 89.0135 89.0431 89.1479 89.2492 89.4153 89.5476 89.5925 89.7417 89.8376 89.9025 89.9674 90.2674 90.3343 90.6428 90.7520 91.0129 91.0400 91.1737 91.3298 91.5129 91.6381 91.8972 92.1311 92.2215 92.4203 92.5033 92.5282 92.6795 92.7551 92.8553 93.0230 93.1827 93.2157 93.4047 93.4796 93.5683 93.6532 93.8001 93.9093 94.3569 94.4344 94.5374 94.6882 94.8608 95.0598 95.0862 95.2281 95.3308 95.3816 95.5651 95.6985 95.7858 95.9234 95.9400 96.0936 96.3459 96.5210 96.6730 96.8405 97.0568 97.2645 97.3703 97.4661 97.6114 97.7467 97.8969 98.0091 98.0959 98.2580 98.4436 98.5209 98.6043 98.8968 99.0532 99.1956 99.3560 99.4196 99.6050 99.6281 99.8609 99.9912 100.1745 100.4545 100.5467 100.7172 100.9208 101.2248 101.6146 101.7041 101.9434 102.1762 102.3033 102.4871 102.6986 102.9349 103.0655 103.3068 103.4853 103.6374 103.8122 104.1634 104.3422 104.4228 104.7493 104.9175 105.0151 105.2096 105.3538 105.3783 105.4566 105.4935 105.6515 105.6851 105.9430 106.0716 106.2033 106.4325 106.5521 106.6973 106.8992 106.9405 107.0812 107.1592 107.2753 107.5240 107.7043 107.9319 108.1452 108.2890 108.5870 108.6956 108.9271 109.0798 109.2997 109.4230 109.6516 109.7179 110.0680 110.1908 110.6885 110.7820 110.9016 111.0036 111.2289 111.2787 111.3598 111.5024 111.7253 111.9791 112.1280 112.2619 112.5996 112.7044 112.7688 112.9172 113.2043 113.3557 113.5315 113.7584 113.9704 114.2388 114.3557 114.5431 114.6597 114.8524 115.0280 115.1763 115.3485 115.4599 115.6550 115.9381 116.2214 116.2965 116.4245 116.4892 116.6536 116.8629 116.9461 117.1578 117.2658 117.3630 117.4917 117.7564 117.7779 117.8849 118.1642 118.2029 118.2463 118.4815 118.5639 118.6999 118.9012 118.9809 119.0819 119.2138 119.3814 119.5669 119.7607 119.9211 120.0016 120.0946 120.4883 120.5880 120.7571 120.9856 121.1744 121.3651 121.5348 121.5528 121.9582 122.1984 122.4313 122.5218 123.0641 123.2592 123.3570 123.4561 123.8197 124.3265 124.5014 124.8675 125.3411 125.5526 126.0008 126.2660 126.3809 126.7611 126.9469 127.4712 127.8235 128.2640 128.3800 128.7455 128.9172 129.0625 129.2551 129.4641 129.5174 129.6816 130.0255 130.2047 130.3632 130.4447 130.6167 130.8675 130.9840 131.1162 131.3443 131.6482 131.9201 132.3297 132.5638 132.7268 132.8326 133.0653 133.1035 133.6811 133.9616 134.1205 134.3804 134.4908 134.8548 135.0695 135.5685 135.7478 135.8327 136.2466 136.6324 136.7928 136.8536 137.1990 137.3034 137.7467 138.0910 138.1637 138.3475 138.4522 138.9096 139.2078 139.6256 140.4023 140.6503 140.7195 141.1180 141.2889 141.8156 142.1456 142.8265 143.1419 144.0070 144.1023 144.1398 144.2510 144.4497 144.8789 145.0435 145.3703 145.4821 145.6093 145.6699 146.0110 146.1871 146.4174 146.6484 146.8958 147.2328 147.5992 147.8535 148.0877 148.1212 148.5883 148.9744 149.0716 149.4327 149.8156 149.9826 150.0911 150.3013 150.6415 150.8451 151.4362 151.7090 152.0000 152.3003 152.4068 152.8914 153.3589 153.7392 154.1423 154.4144 154.5940 155.0329 155.6605 156.4641 156.5765 156.7607 157.2165 157.3884 157.5926 158.0160 158.3161 158.9110 159.1463 159.3373 159.6741 159.8338 160.7770 161.3528 161.8066 162.2274 163.5654 163.9828 164.6695 165.4226 167.2136 168.9919 169.4246 172.1868 172.6692 172.8072 172.9492 174.0888 176.2397 177.6955 179.6067 180.4596 181.0600 182.1579 185.0453 185.8516 186.8199 187.2971 189.3787 189.8185 192.1729 192.9128 193.9763 195.7284 196.5219 199.4790 202.1682 204.9893 206.6966 206.8376 221.5707 221.8894 222.6675 223.1068 223.2086 223.7206 225.9240 226.2730 228.0845 229.4853 294.7029 294.9083 295.9110 297.3046 308.7927 313.4878 608.8301 617.8138 620.1333 625.0777 630.5758 631.4783 632.0129 633.5855 634.2397 635.2041 635.2941 635.6446 636.7460 636.8169 637.3006 639.7602 642.5162 647.0841 650.2490 657.3556 658.1346 702.0443 708.0199 1200.8650 1210.3348 1214.9841 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 -0.052972 -0.046798 -0.262223 -0.418095 -0.298142 0.072401 0.052342 -0.109408 -0.232508 -0.251897 -0.234337 0.396466 0.038667 0.055137 -0.006565 -0.228224 -0.128920 0.227426 -0.121581 -0.161315 0.240616 -0.167633 -0.203610 -0.113807 -0.093510 -0.142117 0.076909 0.087304 0.092119 0.073160 0.089611 0.088472 0.102817 0.092427 0.134678 0.105772 0.111335 0.110552 0.127220 0.128124 0.133574 0.132954 0.124922 0.126688 0.125864 0.126108 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 17.0530 17.0468 8.2622 8.4181 8.2981 5.9276 5.9477 6.1094 6.2325 6.2519 6.2343 5.6035 5.9613 5.9449 6.0066 6.2282 6.1289 5.7726 6.1216 6.1613 5.7594 6.1676 6.2036 6.1138 6.0935 6.1421 0.9231 0.9127 0.9079 0.9268 0.9104 0.9115 0.8972 0.9076 0.8653 0.8942 0.8887 0.8894 0.8728 0.8719 0.8664 0.8670 0.8751 0.8733 0.8741 0.8739 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 -0.0530 -0.0468 -0.2622 -0.4181 -0.2981 0.0724 0.0523 -0.1094 -0.2325 -0.2519 -0.2343 0.3965 0.0387 0.0551 -0.0066 -0.2282 -0.1289 0.2274 -0.1216 -0.1613 0.2406 -0.1676 -0.2036 -0.1138 -0.0935 -0.1421 0.0769 0.0873 0.0921 0.0732 0.0896 0.0885 0.1028 0.0924 0.1347 0.1058 0.1113 0.1106 0.1272 0.1281 0.1336 0.1330 0.1249 0.1267 0.1259 0.1261 1.2753 1.2600 2.1468 2.0646 2.1060 3.7654 3.7815 3.9166 3.9125 3.9125 3.8887 4.1179 4.2452 3.8425 3.7077 4.0911 3.9487 3.8685 3.9696 3.9369 3.8100 3.9528 4.0380 3.9447 3.9334 3.9601 1.0341 1.0299 1.0041 1.0089 1.0043 1.0022 1.0193 1.0019 1.0362 0.9968 1.0125 1.0244 1.0225 1.0009 1.0038 1.0035 1.0138 0.9999 0.9989 1.0002 1.2753 1.2600 2.1468 2.0646 2.1060 3.7654 3.7815 3.9166 3.9125 3.9125 3.8887 4.1179 4.2452 3.8425 3.7077 4.0911 3.9487 3.8685 3.9696 3.9369 3.8100 3.9528 4.0380 3.9447 3.9334 3.9601 1.0341 1.0299 1.0041 1.0089 1.0043 1.0022 1.0193 1.0019 1.0362 0.9968 1.0125 1.0244 1.0225 1.0009 1.0038 1.0035 1.0138 0.9999 0.9989 1.0002 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.1830 1.1733 1.1753 0.8706 1.8620 0.9814 0.9457 0.8933 0.8956 0.9523 0.9609 0.8853 0.9942 1.0101 1.0124 1.0347 0.9929 0.9817 0.9933 0.9866 0.9856 0.9892 1.8631 0.9539 0.9156 0.9955 1.0157 1.4303 1.3686 1.4582 0.9598 1.4602 0.9707 1.3650 1.4302 0.9726 0.9606 1.3733 1.4228 1.4345 0.9642 1.4391 0.9714 1.4321 0.9723 1.4277 0.9744 0.9765 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 -0.021407965 -1958.447343164316 17.29098 -17.04084 0.25013 -35.84014 34.55413 -1.28600 14.55848 -14.18414 0.37434 1.36253 3.46328