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:2.8505,-1.7555,2.6074;2.5159,-4.5854,3.0563;-1.4703,-1.6016,-1.6674;.2093,-.131,-1.5258;-2.6447,3.7668,.5561;2.0655,-2.6122,-1.7568;1.7972,-2.3852,-.2983;.638,-2.475,-1.2801;2.4728,-3.9857,-2.2372;2.7449,-1.5056,-2.5271;1.9529,-3.4414,.7082;-.1862,-1.265,-1.5029;2.3826,-3.2723,1.953;-2.4019,-.5311,-1.8033;-2.5484,.2698,-.5393;-2.5101,1.654,-.6001;-2.7353,-.3641,.6841;-2.6428,2.4055,.5604;-2.8727,.3936,1.8356;-2.8216,1.7776,1.7838;-1.8305,4.4712,-.2816;-2.3169,5.6879,-.7407;-.553,4.0477,-.6296;-1.521,6.4845,-1.5478;.2267,4.8516,-1.447;-.2484,6.0694,-1.9103;2.0069,-1.3789,.0455;.0704,-3.3985,-1.2559;1.9223,-4.7935,-1.756;2.299,-4.074,-3.3105;3.5356,-4.155,-2.0575;2.4488,-1.5289,-3.5774;2.5211,-.5162,-2.1398;3.8259,-1.6489,-2.4859;1.6885,-4.4538,.4293;-2.1227,.1173,-2.6371;-3.3409,-1.0225,-2.0608;-2.3539,2.1441,-1.5532;-2.7644,-1.4445,.7425;-3.0124,-.0972,2.7896;-2.9182,2.3734,2.6817;-3.3122,6.0038,-.4569;-.165,3.1005,-.2771;-1.9041,7.4332,-1.9001;1.2196,4.5178,-1.7181;.3687,6.6901,-2.5456; 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 2489.5883452100 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.878e-06 Time for diagonalization 0.342 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.345 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:2.8505,-1.7555,2.6074;2.5159,-4.5854,3.0563;-1.4703,-1.6015,-1.6674;.2093,-.131,-1.5258;-2.6447,3.7668,.5561;2.0655,-2.6122,-1.7568;1.7972,-2.3852,-.2983;.638,-2.475,-1.2801;2.4728,-3.9857,-2.2372;2.7449,-1.5056,-2.5271;1.9529,-3.4414,.7082;-.1862,-1.265,-1.5029;2.3826,-3.2723,1.953;-2.4018,-.5311,-1.8033;-2.5484,.2698,-.5393;-2.5101,1.654,-.6001;-2.7353,-.3641,.6841;-2.6428,2.4055,.5604;-2.8727,.3936,1.8356;-2.8216,1.7776,1.7838;-1.8305,4.4712,-.2816;-2.3169,5.6879,-.7407;-.553,4.0477,-.6296;-1.521,6.4845,-1.5478;.2267,4.8516,-1.447;-.2484,6.0694,-1.9103;2.0069,-1.3789,.0455;.0704,-3.3985,-1.2559;1.9223,-4.7935,-1.756;2.299,-4.074,-3.3105;3.5356,-4.155,-2.0575;2.4488,-1.5289,-3.5774;2.5211,-.5162,-2.1398;3.8259,-1.6489,-2.4859;1.6884,-4.4538,.4293;-2.1227,.1173,-2.6371;-3.3408,-1.0225,-2.0608;-2.3539,2.1441,-1.5532;-2.7644,-1.4445,.7425;-3.0124,-.0972,2.7896;-2.9182,2.3734,2.6817;-3.3122,6.0038,-.4569;-.165,3.1005,-.2771;-1.9041,7.4332,-1.9001;1.2196,4.5178,-1.7181;.3687,6.6901,-2.5456; 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:2.8505,-1.7555,2.6074;2.5159,-4.5854,3.0563;-1.4703,-1.6016,-1.6674;.2093,-.131,-1.5258;-2.6447,3.7668,.5561;2.0655,-2.6122,-1.7568;1.7972,-2.3852,-.2983;.638,-2.475,-1.2801;2.4728,-3.9857,-2.2372;2.7449,-1.5056,-2.5271;1.9529,-3.4414,.7082;-.1862,-1.265,-1.5029;2.3826,-3.2723,1.953;-2.4019,-.5311,-1.8033;-2.5484,.2698,-.5393;-2.5101,1.654,-.6001;-2.7353,-.3641,.6841;-2.6428,2.4055,.5604;-2.8727,.3936,1.8356;-2.8216,1.7776,1.7838;-1.8305,4.4712,-.2816;-2.3169,5.6879,-.7407;-.553,4.0477,-.6296;-1.521,6.4845,-1.5478;.2267,4.8516,-1.447;-.2484,6.0694,-1.9103;2.0069,-1.3789,.0455;.0704,-3.3985,-1.2559;1.9223,-4.7935,-1.756;2.299,-4.074,-3.3105;3.5356,-4.155,-2.0575;2.4488,-1.5289,-3.5774;2.5211,-.5162,-2.1398;3.8259,-1.6489,-2.4859;1.6885,-4.4538,.4293;-2.1227,.1173,-2.6371;-3.3409,-1.0225,-2.0608;-2.3539,2.1441,-1.5532;-2.7644,-1.4445,.7425;-3.0124,-.0972,2.7896;-2.9182,2.3734,2.6817;-3.3122,6.0038,-.4569;-.165,3.1005,-.2771;-1.9041,7.4332,-1.9001;1.2196,4.5178,-1.7181;.3687,6.6901,-2.5456; -1958.42565649 2489.58834521 -4448.01400170 -7632.49101288 3184.47701118 -3911.05054951 1952.62489302 2.00297075 102.000023053003 102.000023053003 204.000046106007 -143.515908598983 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 -2765.6269 -2765.5890 -524.7831 -524.4821 -523.0073 -283.3521 -282.8743 -281.5224 -281.4934 -281.4552 -280.7818 -280.5431 -280.5063 -280.4570 -280.1832 -279.8937 -279.7947 -279.7886 -279.7872 -279.7770 -279.7221 -279.7023 -279.6789 -279.6623 -279.5980 -279.4617 -260.8955 -260.8569 -199.7385 -199.7016 -199.4902 -199.4833 -199.4495 -199.4454 -33.6989 -32.8842 -31.1403 -28.4675 -27.7798 -26.9744 -26.5413 -25.9941 -24.7659 -24.2383 -24.0133 -23.6270 -23.5531 -23.0917 -22.6134 -22.2457 -20.8421 -20.5164 -19.8452 -19.5244 -19.1795 -18.7706 -18.3110 -18.1359 -17.3949 -17.0040 -16.9561 -16.4518 -16.2910 -16.1205 -16.0597 -15.7919 -15.7388 -15.6302 -15.0516 -14.8593 -14.8039 -14.6432 -14.6133 -14.2556 -14.2377 -13.9873 -13.8558 -13.7818 -13.7157 -13.5485 -13.2867 -13.0541 -12.9840 -12.7910 -12.5261 -12.3978 -12.3208 -12.2050 -11.9391 -11.8765 -11.6960 -11.6539 -11.5001 -11.1794 -11.1258 -10.6261 -10.3787 -9.4919 -9.3015 -9.2147 -8.9186 -8.2838 1.2877 1.4182 1.5445 1.8859 2.1919 2.4029 2.6045 2.8664 3.2924 3.5676 3.7227 3.9846 4.0915 4.1605 4.2908 4.4267 4.5816 4.6534 4.7074 4.8508 4.9665 5.0452 5.1032 5.1451 5.3244 5.4613 5.6411 5.7223 5.9524 6.0096 6.1881 6.2357 6.3317 6.4047 6.5231 6.6635 6.8285 6.9123 7.1711 7.1993 7.2815 7.4779 7.6276 7.7794 7.8116 7.8699 7.9761 8.0283 8.2115 8.2499 8.2954 8.4026 8.5853 8.7195 8.7272 8.8359 8.8963 9.2344 9.2786 9.3793 9.5357 9.5701 9.6064 9.6963 9.8194 10.0360 10.1022 10.1846 10.3061 10.4217 10.5452 10.5912 10.6656 10.8217 11.1260 11.2247 11.3101 11.3662 11.4436 11.4713 11.5650 11.5730 11.7079 11.8016 11.8816 11.9130 11.9513 12.0869 12.1816 12.2724 12.2856 12.4426 12.5761 12.6524 12.6871 12.7544 12.8875 12.9946 13.0122 13.0766 13.1250 13.2441 13.3290 13.5409 13.5718 13.6943 13.7801 13.8360 13.9789 14.0381 14.1920 14.2745 14.3742 14.4410 14.4859 14.5697 14.6099 14.8124 14.9657 15.0305 15.0967 15.1606 15.2441 15.3486 15.4315 15.5040 15.7181 15.8275 15.8694 16.0033 16.0491 16.1010 16.1817 16.2798 16.4599 16.4969 16.6556 16.7863 16.8287 16.8815 17.0475 17.1643 17.4589 17.5231 17.7192 17.8482 17.8979 18.1442 18.1554 18.4363 18.6542 18.7500 18.9564 19.2587 19.3416 19.5830 19.6579 19.8516 19.9048 19.9572 20.0690 20.2178 20.3450 20.4619 20.6587 20.6983 20.8830 21.0294 21.1235 21.1541 21.2945 21.3869 21.4509 21.7428 21.8207 21.8834 22.0181 22.0998 22.1762 22.2794 22.5221 22.5904 22.6737 22.9186 23.1892 23.2700 23.4625 23.4854 23.5333 23.8884 23.9793 24.0981 24.3662 24.4383 24.7142 24.7966 24.9397 25.0586 25.2683 25.5185 25.6065 25.7171 25.8551 25.9974 26.2093 26.4822 26.7371 26.8798 26.9699 27.1342 27.1975 27.3212 27.5178 27.7355 27.7642 27.9584 28.0453 28.2913 28.4531 28.5530 28.7004 28.7746 29.0048 29.0884 29.3123 29.3395 29.4627 29.5789 29.7571 29.8919 29.9025 30.0509 30.1905 30.3609 30.4536 30.5905 30.6472 30.9237 30.9431 31.1461 31.1556 31.3829 31.5247 31.8849 31.9405 32.0033 32.2860 32.3711 32.4594 32.5884 32.7848 32.8791 33.1426 33.2086 33.3175 33.4688 33.6871 33.8725 34.0602 34.2631 34.3855 34.4400 34.6590 34.8546 34.9066 35.0592 35.1670 35.2862 35.5280 35.7238 35.7614 35.8775 36.0046 36.2218 36.3356 36.5791 36.6756 36.7096 36.8655 37.1086 37.2398 37.3533 37.4224 37.5876 37.7517 37.9572 38.1421 38.2056 38.3445 38.5386 38.5717 38.6600 38.7802 38.8713 39.1239 39.2375 39.2983 39.4263 39.5640 39.9287 40.0363 40.2887 40.4733 40.5419 40.6669 40.8475 40.9172 40.9832 41.1617 41.4140 41.5140 41.5949 41.7782 41.9449 42.0026 42.1032 42.2589 42.4537 42.5797 42.7707 42.9095 43.0894 43.2299 43.4347 43.4582 43.7303 43.7801 43.9693 44.0682 44.1653 44.2184 44.3400 44.4595 44.5979 44.7197 44.8698 44.9734 45.3316 45.5528 45.5807 45.8359 45.9064 46.0684 46.3222 46.3412 46.4443 46.7797 46.8880 47.0897 47.3590 47.3879 47.6872 47.7890 48.0785 48.2141 48.3641 48.4797 48.5845 48.7569 48.9037 48.9944 49.2369 49.4538 49.6424 49.7290 50.1272 50.3256 50.5491 50.6009 50.7293 50.7845 50.8713 51.1327 51.3075 51.4406 51.4927 51.5887 51.7778 52.0866 52.2900 52.4357 52.4769 52.7217 52.8135 53.0436 53.1518 53.3217 53.4343 54.0898 54.3959 54.4746 54.6706 54.9450 54.9658 55.4410 55.7627 55.8310 56.0762 56.1408 56.2767 56.5695 56.8262 56.9626 57.1492 57.1649 57.3665 57.6226 57.8223 57.8865 58.1102 58.2734 58.4479 58.6962 58.8055 59.0013 59.0313 59.2960 59.3615 59.6126 59.9058 59.9987 60.0709 60.3451 60.5729 60.9058 61.0170 61.5264 61.6532 61.7610 62.0672 62.2065 62.5194 62.8330 63.0148 63.1971 63.3066 63.4468 63.7446 63.7666 64.1340 64.2703 64.4432 64.6881 64.8026 65.0190 65.0899 65.2871 65.4912 65.5823 65.8712 66.1190 66.2209 66.4058 66.7760 67.0596 67.2915 67.3752 67.7531 67.9224 67.9846 68.1764 68.4788 68.6661 68.9339 69.0961 69.1472 69.4393 69.8101 70.0683 70.4969 70.5608 71.3211 71.5230 71.9249 71.9389 72.3810 72.7479 72.8143 73.0918 73.1676 73.6499 74.0535 74.1588 74.2803 74.5670 74.5829 74.7400 74.9608 75.0986 75.3943 75.8637 76.0369 76.3116 76.4316 76.6422 76.8409 76.8854 76.9220 77.3337 77.4390 77.5397 77.6803 77.7796 78.1623 78.2269 78.3997 78.6751 78.7576 78.7958 78.9092 78.9962 79.0777 79.1640 79.3923 79.5718 79.6099 79.7687 79.7867 79.8886 80.2673 80.3157 80.4185 80.7843 80.8810 81.0172 81.2584 81.4740 81.6537 81.8210 81.8850 82.0796 82.1921 82.2894 82.4392 82.5644 82.6745 82.8490 83.0503 83.1212 83.1281 83.3488 83.4597 83.6231 83.9899 84.2151 84.3203 84.3969 84.6275 84.8339 84.8680 85.0154 85.0506 85.2021 85.3285 85.4163 85.4857 85.5428 85.7278 85.8654 85.9227 85.9794 86.1841 86.2243 86.4320 86.5618 86.6787 86.7095 86.9988 87.1358 87.4647 87.5839 87.8247 87.8949 88.0896 88.3091 88.4452 88.4910 88.6394 88.8237 88.9294 89.0624 89.1549 89.2593 89.3496 89.4315 89.5499 89.6596 89.8927 90.0029 90.0443 90.2867 90.3640 90.6755 90.8732 90.9257 91.0312 91.1616 91.3694 91.6676 91.7714 91.9491 91.9786 92.1705 92.2872 92.4400 92.5923 92.6745 92.8620 92.9295 92.9987 93.1175 93.2782 93.3378 93.4211 93.4445 93.6628 93.8802 93.8851 93.9754 94.2504 94.3373 94.3612 94.4997 94.7356 94.7843 94.9635 95.1324 95.2213 95.4269 95.4824 95.6011 95.7652 95.8658 95.9648 96.3338 96.4207 96.5796 96.7229 96.8037 97.0260 97.1637 97.2843 97.4352 97.5762 97.7686 97.8321 98.0358 98.2176 98.3685 98.5313 98.6294 98.6994 98.8833 99.1475 99.1762 99.3763 99.4078 99.7490 99.9408 100.2006 100.2661 100.4257 100.7241 100.8889 100.9980 101.0848 101.3988 101.5655 101.7525 101.8130 102.2543 102.5841 102.7353 102.8168 103.0843 103.2201 103.2972 103.3867 103.8644 103.9805 104.2875 104.3989 104.4525 104.6130 104.9365 105.0673 105.2895 105.4496 105.4662 105.5698 105.7682 105.9422 106.0793 106.1522 106.2938 106.4023 106.5568 106.7237 106.9452 107.0093 107.1183 107.3009 107.3949 107.5301 107.7053 108.0002 108.0736 108.1073 108.2555 108.5322 108.7916 109.1176 109.1678 109.1855 109.5800 109.8162 109.8597 109.9902 110.2594 110.3869 110.5858 110.8202 110.9477 111.0179 111.2674 111.3466 111.3948 111.7440 111.9363 112.1513 112.2726 112.4013 112.6059 112.8139 113.0608 113.1764 113.3598 113.6202 113.6531 114.1180 114.3346 114.4976 114.5522 114.6781 114.8159 114.9579 115.3879 115.4516 115.6809 115.8039 115.8611 116.0929 116.3651 116.4597 116.6281 116.7617 116.8069 117.0775 117.1659 117.3661 117.3799 117.5066 117.6003 117.6637 117.8745 117.9267 118.2988 118.3856 118.4716 118.5375 118.7085 118.8813 118.9984 119.2167 119.3356 119.4902 119.7630 119.9719 120.1952 120.2903 120.5487 120.6446 120.7480 120.9265 121.3337 121.5529 121.5932 121.8482 121.8831 122.1312 122.3124 122.5110 122.8495 123.2877 123.4620 123.5186 123.8743 124.0931 124.2706 124.7828 125.2882 125.6820 125.7844 125.9232 126.2300 126.4319 126.6688 126.9247 127.7546 128.1656 128.3300 128.6435 128.8257 129.0121 129.1405 129.3023 129.4979 129.6882 129.8077 130.0494 130.4158 130.4798 130.6485 130.7944 131.0324 131.0580 131.3329 131.6507 131.6848 131.8007 132.0529 132.1916 132.4345 132.8631 132.9997 133.1131 133.3503 133.9000 134.0164 134.2453 134.5754 134.9816 135.1218 135.2054 135.6675 135.9869 136.3499 136.5210 137.0490 137.3128 137.7847 137.8473 138.0756 138.4132 138.4719 138.9332 139.0005 139.2290 139.4873 139.7071 140.5629 140.6123 140.8321 141.2404 141.4023 141.5706 142.4611 142.9008 143.3112 143.9064 144.0556 144.1559 144.3576 144.4458 144.4940 144.9198 145.0099 145.3535 145.5170 145.6503 146.1203 146.2930 146.6514 146.8891 147.0348 147.2676 147.8846 148.1738 148.2216 148.3405 148.6125 149.0031 149.1899 149.3940 149.6979 150.0492 150.4058 150.6315 150.9003 151.2634 151.3735 151.7118 152.1494 152.5466 152.7417 153.2128 153.4100 153.5760 154.2388 154.5858 154.7809 155.1445 156.1394 156.2347 156.4114 156.7713 157.0854 157.4160 157.4870 158.1632 158.4686 158.9764 159.2377 159.4495 159.6909 160.5327 161.0711 161.7391 162.1695 162.7466 163.5006 163.7190 164.4356 165.2571 167.3202 168.6884 170.1234 171.6023 172.4021 172.9787 173.2804 174.7392 176.6048 178.1066 178.9076 180.1727 181.0248 182.5688 185.5562 186.3934 187.0968 187.7940 189.0016 189.5819 192.5479 192.7047 193.3187 195.2040 196.9812 199.3455 202.7525 205.2030 206.8266 207.1293 221.3719 221.7142 222.4381 222.9592 222.9993 223.5740 225.7717 226.0471 227.9711 229.3884 294.5392 294.8249 295.7594 297.1819 308.6122 313.3846 609.0383 618.1717 620.1855 625.2553 629.0734 631.2886 632.2775 634.3081 634.5229 635.1908 635.3892 635.7721 637.0216 637.8408 639.2477 640.3462 642.7683 647.0266 650.1619 657.4828 658.3759 702.0253 708.1449 1200.3418 1209.4106 1215.1831 -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 -0.039724 -0.048489 -0.274217 -0.383935 -0.298689 0.080416 0.034619 -0.079719 -0.250767 -0.247138 -0.202487 0.348804 0.049604 0.072093 0.050798 -0.180940 -0.233319 0.254199 -0.066486 -0.223578 0.278329 -0.229820 -0.187086 -0.082517 -0.110175 -0.153806 0.087937 0.075716 0.072593 0.092971 0.099199 0.084619 0.103391 0.085735 0.094542 0.100100 0.110133 0.116182 0.116524 0.124934 0.124098 0.122465 0.139497 0.123154 0.127605 0.122637 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 17.0397 17.0485 8.2742 8.3839 8.2987 5.9196 5.9654 6.0797 6.2508 6.2471 6.2025 5.6512 5.9504 5.9279 5.9492 6.1809 6.2333 5.7458 6.0665 6.2236 5.7217 6.2298 6.1871 6.0825 6.1102 6.1538 0.9121 0.9243 0.9274 0.9070 0.9008 0.9154 0.8966 0.9143 0.9055 0.8999 0.8899 0.8838 0.8835 0.8751 0.8759 0.8775 0.8605 0.8768 0.8724 0.8774 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 -0.0397 -0.0485 -0.2742 -0.3839 -0.2987 0.0804 0.0346 -0.0797 -0.2508 -0.2471 -0.2025 0.3488 0.0496 0.0721 0.0508 -0.1809 -0.2333 0.2542 -0.0665 -0.2236 0.2783 -0.2298 -0.1871 -0.0825 -0.1102 -0.1538 0.0879 0.0757 0.0726 0.0930 0.0992 0.0846 0.1034 0.0857 0.0945 0.1001 0.1101 0.1162 0.1165 0.1249 0.1241 0.1225 0.1395 0.1232 0.1276 0.1226 1.2882 1.2565 2.1245 2.1148 2.1146 3.7467 3.8425 3.8476 3.9107 3.9106 3.9249 4.2212 4.2488 3.8520 3.6678 3.9515 4.0200 3.8497 3.9218 4.0576 3.7815 4.0457 3.9384 3.9261 3.9421 3.9655 1.0474 1.0369 1.0097 1.0043 1.0023 1.0027 1.0258 1.0007 1.0319 1.0103 0.9876 1.0137 1.0180 0.9987 1.0135 1.0155 1.0067 0.9989 0.9993 1.0010 1.2882 1.2565 2.1245 2.1148 2.1146 3.7467 3.8425 3.8476 3.9107 3.9106 3.9249 4.2212 4.2488 3.8520 3.6678 3.9515 4.0200 3.8497 3.9218 4.0576 3.7815 4.0457 3.9384 3.9261 3.9421 3.9655 1.0474 1.0369 1.0097 1.0043 1.0023 1.0027 1.0258 1.0007 1.0319 1.0103 0.9876 1.0137 1.0180 0.9987 1.0135 1.0155 1.0067 0.9989 0.9993 1.0010 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 1.1982 1.1521 1.1388 0.8890 1.9354 0.9740 0.9634 0.9184 0.8776 0.9474 0.9603 0.8877 1.0257 0.9931 1.0245 1.0182 0.9884 0.9891 0.9951 0.9900 0.9850 0.9889 1.8684 0.9536 0.9079 1.0186 0.9751 1.3775 1.3848 1.3969 0.9498 1.4523 0.9772 1.4216 1.4375 0.9760 0.9713 1.4065 1.3609 1.4492 0.9729 1.4339 0.9621 1.4212 0.9760 1.4346 0.9733 0.9794 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 -0.022030277 -1958.447686761926 -7.11490 6.98016 -0.13474 11.87649 -12.54262 -0.66613 -29.10798 28.16070 -0.94727 1.16585 2.96336