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:2.2371,-.676,-1.0275;4.9951,-1.5365,-1.0857;-1.1863,-2.194,.7516;-1.3178,-2.8853,-1.3762;-1.042,3.0712,1.667;.995,-4.8098,-.4467;1.5219,-3.6633,-1.2433;.617,-3.3892,-.0668;1.9224,-5.5071,.5203;-.0181,-5.7338,-1.0768;2.9422,-3.2526,-1.1936;-.7211,-2.8158,-.3331;3.3374,-1.9888,-1.1123;-2.4041,-1.4536,.6311;-2.1205,-.0516,.1733;-1.7575,.9112,1.1071;-2.1773,.2877,-1.1735;-1.4438,2.1989,.7004;-1.8626,1.5779,-1.5719;-1.4896,2.5391,-.6462;-1.3954,4.3868,1.6054;-.4478,5.3143,2.0144;-2.6624,4.8018,1.2123;-.7715,6.6618,2.0319;-2.968,6.1538,1.2239;-2.0286,7.0895,1.6319;1.0429,-3.5143,-2.208;1.0914,-3.015,.8329;1.3513,-5.9946,1.3116;2.5032,-6.2786,.0105;2.6247,-4.8221,.9962;-.6774,-6.1595,-.3181;-.6379,-5.237,-1.8188;.494,-6.5626,-1.5689;3.7094,-4.0155,-1.257;-3.1003,-1.9576,-.0401;-2.8336,-1.4534,1.6327;-1.7094,.6656,2.1614;-2.4513,-.4579,-1.9072;-1.8981,1.8401,-2.6209;-1.2363,3.5398,-.9712;.5325,4.9737,2.3208;-3.4067,4.0788,.9047;-.0305,7.3814,2.3538;-3.9548,6.4748,.9174;-2.2755,8.1423,1.6403; 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 2495.0158385845 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 7.065e-06 Time for diagonalization 0.353 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.370 sec Total time needed 0.735 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:2.2371,-.676,-1.0275;4.9951,-1.5365,-1.0857;-1.1863,-2.194,.7516;-1.3178,-2.8853,-1.3762;-1.042,3.0712,1.667;.995,-4.8098,-.4467;1.5219,-3.6633,-1.2433;.617,-3.3892,-.0668;1.9224,-5.5071,.5203;-.0181,-5.7338,-1.0768;2.9422,-3.2526,-1.1936;-.7211,-2.8158,-.3331;3.3374,-1.9888,-1.1123;-2.4041,-1.4536,.6311;-2.1205,-.0516,.1733;-1.7575,.9112,1.1071;-2.1773,.2877,-1.1735;-1.4438,2.1989,.7004;-1.8626,1.5779,-1.5719;-1.4896,2.5391,-.6462;-1.3954,4.3868,1.6054;-.4478,5.3143,2.0144;-2.6624,4.8018,1.2123;-.7715,6.6618,2.0319;-2.968,6.1538,1.2239;-2.0286,7.0895,1.6319;1.0429,-3.5143,-2.208;1.0914,-3.015,.8329;1.3513,-5.9946,1.3116;2.5032,-6.2786,.0105;2.6247,-4.8221,.9962;-.6774,-6.1595,-.3181;-.6379,-5.237,-1.8188;.494,-6.5626,-1.5689;3.7094,-4.0155,-1.257;-3.1003,-1.9576,-.0401;-2.8336,-1.4534,1.6327;-1.7094,.6656,2.1614;-2.4513,-.4579,-1.9072;-1.8981,1.8401,-2.6209;-1.2363,3.5398,-.9712;.5325,4.9737,2.3208;-3.4067,4.0788,.9047;-.0305,7.3814,2.3538;-3.9548,6.4748,.9174;-2.2755,8.1423,1.6403; 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:2.2371,-.676,-1.0275;4.9951,-1.5365,-1.0857;-1.1863,-2.194,.7516;-1.3178,-2.8853,-1.3762;-1.042,3.0712,1.667;.995,-4.8098,-.4467;1.5219,-3.6633,-1.2433;.617,-3.3892,-.0668;1.9224,-5.5071,.5203;-.0181,-5.7338,-1.0768;2.9422,-3.2526,-1.1936;-.7211,-2.8158,-.3331;3.3374,-1.9888,-1.1123;-2.4041,-1.4536,.6311;-2.1205,-.0516,.1733;-1.7575,.9112,1.1071;-2.1773,.2877,-1.1735;-1.4438,2.1989,.7004;-1.8626,1.5779,-1.5719;-1.4896,2.5391,-.6462;-1.3954,4.3868,1.6054;-.4478,5.3143,2.0144;-2.6624,4.8018,1.2123;-.7715,6.6618,2.0319;-2.968,6.1538,1.2239;-2.0286,7.0895,1.6319;1.0429,-3.5143,-2.208;1.0914,-3.015,.8329;1.3513,-5.9946,1.3116;2.5032,-6.2786,.0105;2.6247,-4.8221,.9962;-.6774,-6.1595,-.3181;-.6379,-5.237,-1.8188;.494,-6.5626,-1.5689;3.7094,-4.0155,-1.257;-3.1003,-1.9576,-.0401;-2.8336,-1.4534,1.6327;-1.7094,.6656,2.1614;-2.4513,-.4579,-1.9072;-1.8981,1.8401,-2.6209;-1.2363,3.5398,-.9712;.5325,4.9737,2.3208;-3.4067,4.0788,.9047;-.0305,7.3814,2.3538;-3.9548,6.4748,.9174;-2.2755,8.1423,1.6403; -1958.42494740 2495.01583858 -4453.44078599 -7643.57368986 3190.13290388 -3911.05106005 1952.62611265 2.00296976 101.999908187489 101.999908187489 203.999816374977 -143.513659258706 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 -2765.5728 -2765.5650 -524.6268 -524.5283 -522.8668 -283.2135 -282.8645 -281.5668 -281.5378 -281.3567 -280.6258 -280.3738 -280.3431 -280.2188 -280.1318 -279.9160 -279.9102 -279.8945 -279.8497 -279.8219 -279.8098 -279.7599 -279.7114 -279.6804 -279.6634 -279.4247 -260.8412 -260.8315 -199.6854 -199.6737 -199.4346 -199.4302 -199.4294 -199.4163 -33.5213 -32.9417 -30.9873 -28.4488 -27.6264 -27.0180 -26.6140 -25.9581 -24.7014 -24.1734 -24.1118 -23.7366 -23.4164 -23.0351 -22.5854 -22.1749 -20.7881 -20.4579 -19.8949 -19.6896 -19.1069 -18.6581 -18.0885 -17.8449 -17.6702 -17.1395 -16.8690 -16.3719 -16.1875 -16.1218 -15.9949 -15.8952 -15.8257 -15.6057 -15.0335 -14.9221 -14.8412 -14.6081 -14.4070 -14.3233 -14.0579 -13.9339 -13.8640 -13.7814 -13.7130 -13.4191 -13.2093 -13.0000 -12.8651 -12.7535 -12.6702 -12.4901 -12.2540 -12.1855 -11.9508 -11.9177 -11.7025 -11.6442 -11.1558 -10.9444 -10.7423 -10.4947 -10.1867 -9.5795 -9.3840 -9.3384 -9.1923 -8.3845 1.2069 1.4600 1.5566 1.7731 2.1244 2.3250 2.6182 2.9897 3.5485 3.5797 3.7375 3.9593 4.0070 4.2191 4.3308 4.3629 4.5492 4.6135 4.6375 4.8031 4.8807 5.0390 5.1618 5.1771 5.3613 5.4704 5.5834 5.8186 5.8865 5.9302 6.1469 6.2753 6.2787 6.4023 6.4973 6.5809 6.8175 6.9836 7.0569 7.2477 7.3621 7.5400 7.6765 7.7429 7.8661 7.9139 7.9897 8.0586 8.1086 8.1460 8.3359 8.5263 8.5774 8.6332 8.8067 8.8865 9.0177 9.1926 9.2712 9.3559 9.5781 9.5809 9.6940 9.8175 9.8492 9.9284 10.0384 10.1652 10.2590 10.3969 10.4356 10.4988 10.6550 10.7735 10.8798 11.0233 11.1162 11.3111 11.4027 11.4794 11.5108 11.5942 11.6619 11.7285 11.8328 11.9035 12.0155 12.1065 12.2677 12.2903 12.4432 12.5262 12.7548 12.7854 12.8353 12.8803 13.0459 13.0799 13.1424 13.3065 13.3726 13.4023 13.4436 13.5588 13.6191 13.7599 13.7890 13.8600 14.0052 14.0850 14.1701 14.2585 14.3230 14.4527 14.5183 14.6299 14.7261 14.7515 14.8621 14.9714 15.0501 15.1584 15.2247 15.2971 15.4195 15.5479 15.5967 15.7087 15.8180 15.8837 15.9955 16.0390 16.2336 16.2638 16.2716 16.4755 16.5709 16.7522 16.8173 16.9911 17.2384 17.2822 17.2942 17.4609 17.7373 17.8439 17.9823 18.1990 18.3083 18.5233 18.6029 18.7064 18.8758 19.0856 19.3995 19.4463 19.6042 19.6488 19.8557 19.9353 19.9853 20.0822 20.2322 20.3427 20.5263 20.6439 20.7351 20.9434 20.9778 21.1526 21.3094 21.4397 21.4526 21.5840 21.6520 21.8788 21.9617 22.0729 22.1485 22.4371 22.5784 22.8210 22.8902 23.0777 23.2661 23.4372 23.5387 23.7370 23.8359 23.9859 24.0724 24.2976 24.4614 24.5758 24.7588 24.8086 24.9486 25.0954 25.2803 25.4351 25.5604 25.9259 25.9957 26.1702 26.4624 26.7728 26.8054 26.9443 27.1505 27.2695 27.4756 27.4993 27.6044 27.6486 27.8159 27.9819 28.2662 28.3847 28.4393 28.7023 28.7700 28.9203 29.0367 29.2576 29.2833 29.3227 29.5507 29.6389 29.7036 29.7676 29.9854 30.0797 30.1257 30.2431 30.4144 30.7020 30.7529 30.9001 31.0240 31.0918 31.2364 31.4220 31.6239 31.7625 31.8538 31.9232 32.2118 32.3477 32.4404 32.5635 32.6819 32.8867 32.9696 33.1678 33.3313 33.5943 33.7991 33.9409 33.9856 34.1639 34.2557 34.3190 34.4945 34.5301 34.6940 34.8976 35.1361 35.2692 35.3804 35.4326 35.5684 35.7356 36.0352 36.2050 36.4735 36.6032 36.7153 36.9954 37.0343 37.1259 37.2309 37.4637 37.6490 37.7046 37.8536 38.0367 38.1001 38.1847 38.2672 38.3497 38.5480 38.5986 38.7625 38.8356 39.0648 39.2061 39.3290 39.3742 39.5190 39.8023 39.8395 40.1651 40.3506 40.5307 40.7358 40.7786 40.8257 41.2061 41.2648 41.4998 41.5982 41.6718 41.8372 41.8932 42.2979 42.3822 42.4051 42.5550 42.6477 42.8767 42.9580 43.2502 43.3000 43.4443 43.5110 43.5754 43.6459 43.8642 43.9989 44.2705 44.3569 44.3865 44.4741 44.5471 44.6356 44.8853 45.0340 45.3549 45.4850 45.6876 45.7546 45.8632 45.9708 46.1496 46.3936 46.5849 46.7399 46.9587 47.0918 47.1457 47.2575 47.2932 47.5981 47.7781 47.8177 48.0791 48.3796 48.4150 48.6244 48.7689 49.0163 49.3082 49.4912 49.6354 49.8253 49.9234 50.1819 50.2690 50.4362 50.7928 50.9138 51.0979 51.1957 51.3984 51.5061 51.7604 51.8332 52.0598 52.0983 52.2433 52.2485 52.3347 52.6680 52.7611 52.8873 53.1881 53.3222 53.8624 53.9660 54.0284 54.4793 54.5990 54.8417 54.9565 55.0267 55.3311 55.5385 55.8085 56.0973 56.2093 56.3061 56.4348 56.8997 56.9764 57.1069 57.2531 57.4859 57.7434 57.8293 58.0492 58.2506 58.4547 58.7669 59.1062 59.2612 59.3347 59.4196 59.5920 59.6911 59.8093 60.0842 60.3437 60.4612 60.7104 60.8703 61.2157 61.5252 61.6763 61.7090 61.9470 62.2352 62.5825 62.9050 63.0784 63.2208 63.4683 63.7477 63.7803 63.8855 64.0961 64.1928 64.3250 64.4487 64.7247 64.8688 64.9548 65.3990 65.6188 65.8526 66.0791 66.5454 66.6024 66.7570 66.9900 67.2148 67.4208 67.4700 67.5608 67.6780 67.7548 68.1723 68.3095 68.5706 68.8979 69.0703 69.2858 69.3663 69.6953 70.2286 70.7021 70.8952 71.1089 71.2096 71.6730 71.8825 72.1011 72.4645 72.7246 72.8284 73.1924 73.4113 73.8782 74.0624 74.1940 74.4264 74.7805 74.8725 74.9673 75.2769 75.3995 75.9136 75.9936 76.3145 76.4198 76.5965 76.7267 76.8899 76.9638 77.1545 77.4399 77.4669 77.6161 77.6478 77.9253 77.9836 78.2779 78.3735 78.6671 78.7913 78.8990 78.9774 79.1974 79.4157 79.4815 79.5199 79.6311 79.7686 80.0052 80.2128 80.4557 80.5909 80.8819 80.9537 81.2090 81.2642 81.5191 81.6902 81.7717 81.9397 81.9891 82.1242 82.1711 82.4334 82.5894 82.6259 82.8550 82.9687 83.1006 83.1453 83.2651 83.4852 83.7081 83.9093 83.9953 84.2976 84.4387 84.5403 84.5945 84.7804 84.8806 85.0360 85.0994 85.2570 85.3788 85.4913 85.5507 85.6600 85.8200 85.9580 86.0148 86.1534 86.2321 86.3790 86.4164 86.6410 86.7387 86.9070 87.0715 87.4315 87.4925 87.6136 87.9225 88.0699 88.2408 88.3609 88.5845 88.6641 88.8123 88.8387 88.9423 89.0674 89.1465 89.2799 89.3510 89.4357 89.4599 89.7184 89.8450 89.9286 90.0340 90.2529 90.3589 90.7239 90.7846 90.9290 91.0865 91.2333 91.2718 91.3851 91.6016 91.7180 92.0279 92.1430 92.3976 92.5190 92.5313 92.7109 92.7791 92.9401 93.0423 93.1195 93.2698 93.4254 93.5291 93.6163 93.7399 93.8043 93.9040 94.0011 94.1821 94.3259 94.5159 94.6830 94.8220 94.9729 95.0739 95.1744 95.3840 95.5102 95.6582 95.7727 95.8449 96.1647 96.1807 96.3284 96.4855 96.7011 96.8553 96.9740 97.0430 97.2135 97.3493 97.5223 97.6199 97.7429 97.7924 97.9866 98.0560 98.3017 98.4079 98.6610 98.6740 98.7417 98.7932 98.9928 99.2932 99.3763 99.5805 99.7357 99.8477 100.2934 100.3007 100.6840 100.7430 100.8445 101.0537 101.3555 101.5050 101.7100 101.9726 102.0783 102.3273 102.5179 102.7855 103.0426 103.1458 103.2757 103.7107 103.8821 104.0985 104.3666 104.5260 104.6242 104.9190 104.9783 105.1348 105.3476 105.4286 105.5305 105.5644 105.6396 105.7724 105.8536 106.0196 106.0908 106.2544 106.4967 106.5236 106.7369 106.8263 107.1721 107.1968 107.3143 107.6044 107.6338 107.8734 108.1362 108.2071 108.4202 108.5885 108.7941 108.9585 109.2771 109.3425 109.4644 109.7304 109.9242 110.0727 110.2511 110.6776 110.8351 111.0416 111.0627 111.2819 111.3231 111.4273 111.6113 111.8624 112.0532 112.3204 112.5480 112.6990 112.8006 112.8979 113.1953 113.3023 113.3672 113.6121 113.7424 113.9492 114.1831 114.2610 114.4561 114.6279 114.7984 115.1571 115.2161 115.3736 115.5745 115.7633 115.9228 116.0683 116.2997 116.3450 116.6115 116.7197 116.8449 117.0221 117.1031 117.2387 117.2728 117.3544 117.5754 117.6548 117.8779 117.9683 118.2103 118.3087 118.3913 118.4943 118.5423 118.7416 118.8715 119.1141 119.2118 119.4897 119.6245 119.8341 119.8841 120.0980 120.1889 120.3750 120.6186 120.8130 120.8550 120.9831 121.2942 121.5108 121.7727 121.9862 122.3400 122.5393 122.6543 122.9476 123.2991 123.5295 123.6888 123.8967 124.0947 124.5724 124.8897 125.3181 125.8966 125.9644 126.3258 126.4112 126.7348 127.1768 127.7465 127.7662 128.3651 128.5629 128.6764 128.9444 129.1999 129.2142 129.3329 129.4615 129.8764 130.0373 130.2372 130.3332 130.4726 130.5624 131.0776 131.2174 131.2793 131.5321 131.7273 131.9601 132.1834 132.6490 132.7966 133.0188 133.1918 133.4004 133.7948 133.9097 133.9711 134.3984 134.5814 134.9668 135.0937 135.3593 135.6177 135.7848 135.9631 136.6961 136.8142 137.0638 137.4329 137.7014 138.0130 138.2755 138.5188 138.5886 138.6509 139.0358 139.3476 139.7689 140.0951 140.4923 140.7115 141.2326 141.4752 142.1419 142.5012 142.7840 143.6224 143.9456 144.0111 144.1551 144.2664 144.4078 144.4495 145.0354 145.2976 145.4723 145.7129 145.7633 145.9823 146.2166 146.4163 146.9403 147.2112 147.4451 147.7797 147.9622 148.1301 148.1771 148.6604 148.7479 149.2828 149.6057 149.8249 149.9222 150.1004 150.3555 150.5606 151.0883 151.5003 151.5645 152.0349 152.2817 152.5432 152.7730 153.2055 153.5791 153.9106 154.1225 154.4698 154.8378 155.1652 155.7278 156.0507 156.4396 156.8144 157.2618 157.3762 157.4815 158.1003 158.5687 159.0913 159.2956 159.5401 159.8078 159.8559 160.6581 161.2225 161.8661 162.4781 164.0753 164.7194 165.4536 167.2103 169.3523 169.7788 171.9417 172.3304 172.6871 173.1972 174.4251 176.2876 177.8920 179.1642 180.0897 181.1183 182.3175 185.1327 185.9636 186.6900 187.4384 189.3731 189.8849 192.3515 192.5277 194.2746 195.6745 196.6035 199.1279 202.4240 205.0025 206.6298 206.8939 221.4515 222.2703 222.5856 223.1401 223.4568 223.9703 225.9495 226.3782 228.2927 229.6696 294.7235 295.2643 296.0383 298.5733 308.8932 313.5278 607.5246 617.9311 619.9575 625.4534 630.2541 631.5886 632.0699 633.6840 634.2853 634.3581 635.3042 635.7556 636.8575 636.9643 639.6608 640.1397 643.2488 647.3524 650.4015 657.4876 658.2300 704.3976 709.9238 1200.1694 1210.3058 1215.0503 -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 -0.029357 -0.046034 -0.256665 -0.399312 -0.298374 0.117890 -0.024484 -0.133922 -0.271479 -0.252935 -0.246204 0.368024 0.094779 0.048955 0.008504 -0.230756 -0.133779 0.228503 -0.115696 -0.166724 0.250789 -0.211597 -0.169920 -0.089437 -0.115565 -0.146693 0.107420 0.102521 0.094112 0.092160 0.087281 0.087652 0.102585 0.083035 0.116939 0.110431 0.103993 0.109711 0.128178 0.128217 0.133444 0.124989 0.132885 0.124786 0.126024 0.125125 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 17.0294 17.0460 8.2567 8.3993 8.2984 5.8821 6.0245 6.1339 6.2715 6.2529 6.2462 5.6320 5.9052 5.9510 5.9915 6.2308 6.1338 5.7715 6.1157 6.1667 5.7492 6.2116 6.1699 6.0894 6.1156 6.1467 0.8926 0.8975 0.9059 0.9078 0.9127 0.9123 0.8974 0.9170 0.8831 0.8896 0.8960 0.8903 0.8718 0.8718 0.8666 0.8750 0.8671 0.8752 0.8740 0.8749 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 -0.0294 -0.0460 -0.2567 -0.3993 -0.2984 0.1179 -0.0245 -0.1339 -0.2715 -0.2529 -0.2462 0.3680 0.0948 0.0490 0.0085 -0.2308 -0.1338 0.2285 -0.1157 -0.1667 0.2508 -0.2116 -0.1699 -0.0894 -0.1156 -0.1467 0.1074 0.1025 0.0941 0.0922 0.0873 0.0877 0.1026 0.0830 0.1169 0.1104 0.1040 0.1097 0.1282 0.1282 0.1334 0.1250 0.1329 0.1248 0.1260 0.1251 1.3074 1.2596 2.1308 2.0971 2.1067 3.7174 3.8478 3.8534 3.9152 3.9003 3.9067 4.1952 4.2011 3.8452 3.6856 4.1034 3.9511 3.8599 3.9596 3.9495 3.8053 4.0369 3.9402 3.9333 3.9476 3.9622 1.0292 1.0257 1.0063 1.0013 1.0011 1.0015 1.0215 1.0030 1.0171 1.0138 0.9966 1.0248 1.0218 1.0008 1.0031 1.0143 1.0039 0.9989 1.0001 1.0005 1.3074 1.2596 2.1308 2.0971 2.1067 3.7174 3.8478 3.8534 3.9152 3.9003 3.9067 4.1952 4.2011 3.8452 3.6856 4.1034 3.9511 3.8599 3.9596 3.9495 3.8053 4.0369 3.9402 3.9333 3.9476 3.9622 1.0292 1.0257 1.0063 1.0013 1.0011 1.0015 1.0215 1.0030 1.0171 1.0138 0.9966 1.0248 1.0218 1.0008 1.0031 1.0143 1.0039 0.9989 1.0001 1.0005 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.2134 1.1436 1.1731 0.8760 1.9331 0.9659 0.9603 0.9567 0.8478 0.9278 0.9575 0.9241 0.9750 0.9966 1.0080 1.0238 0.9904 0.9967 0.9902 0.9926 0.9835 0.9905 1.8710 0.9770 0.9191 1.0154 0.9957 1.4207 1.3684 1.4637 0.9588 1.4561 0.9714 1.3699 1.4300 0.9735 0.9623 1.4157 1.3670 1.4447 0.9714 1.4329 0.9644 1.4243 0.9752 1.4355 0.9725 0.9773 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 -0.022942141 -1958.447889543985 -21.32614 21.09869 -0.22745 -8.17865 7.89460 -0.28406 5.40494 -5.15145 0.25349 0.44348 1.12725