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:-3.9699,-.9385,1.3342;-3.5469,-1.6903,-1.416;1.3762,2.6014,.0716;.0133,1.8236,-1.5286;3.0539,-2.3273,.1987;-2.1982,2.9487,.4135;-2.09,1.4756,.6846;-.8351,2.3377,.6571;-2.7358,3.8043,1.5358;-2.6031,3.4439,-.9524;-2.3962,.4739,-.3456;.1909,2.2128,-.4025;-3.1958,-.5679,-.1614;2.5362,2.4648,-.7526;3.359,1.2931,-.2979;2.7981,.0197,-.2857;4.6718,1.4712,.1134;3.5436,-1.0594,.1647;5.4223,.379,.5281;4.8636,-.885,.5676;1.7089,-2.5284,.359;1.0597,-3.3415,-.5556;1.0192,-1.9777,1.4324;-.2909,-3.6126,-.3893;-.3316,-2.2481,1.5805;-.9906,-3.0679,.6755;-2.3685,1.1776,1.6887;-.4118,2.5404,1.6337;-2.4479,3.4233,2.5163;-2.3658,4.8279,1.4557;-3.8258,3.8392,1.5016;-2.282,4.4782,-1.0871;-2.1912,2.8646,-1.7732;-3.6904,3.4219,-1.0408;-1.9588,.5819,-1.3278;2.251,2.3642,-1.8006;3.0995,3.3916,-.6403;1.7855,-.1341,-.6375;5.1113,2.4608,.1146;6.4476,.5182,.8443;5.4355,-1.738,.9078;1.613,-3.758,-1.3869;1.5339,-1.3454,2.1447;-.7991,-4.2464,-1.1035;-.8745,-1.8174,2.4116;-2.0437,-3.2782,.7996; 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 2649.4971925801 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 6.667e-06 Time for diagonalization 0.426 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.203 sec Total time needed 0.635 sec 17 17 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-3.9699,-.9385,1.3342;-3.5469,-1.6903,-1.416;1.3762,2.6014,.0716;.0133,1.8236,-1.5286;3.0539,-2.3273,.1987;-2.1982,2.9487,.4135;-2.09,1.4756,.6846;-.8351,2.3377,.6571;-2.7358,3.8043,1.5358;-2.6031,3.4439,-.9524;-2.3962,.4739,-.3456;.1909,2.2128,-.4025;-3.1958,-.5679,-.1614;2.5362,2.4648,-.7526;3.359,1.2931,-.2979;2.7981,.0197,-.2857;4.6718,1.4712,.1134;3.5436,-1.0594,.1647;5.4223,.379,.5281;4.8636,-.885,.5676;1.7089,-2.5284,.359;1.0597,-3.3415,-.5556;1.0192,-1.9777,1.4324;-.2909,-3.6126,-.3893;-.3316,-2.2481,1.5805;-.9906,-3.0679,.6755;-2.3685,1.1776,1.6887;-.4118,2.5404,1.6337;-2.4479,3.4233,2.5163;-2.3658,4.8279,1.4557;-3.8258,3.8392,1.5016;-2.282,4.4782,-1.0871;-2.1912,2.8646,-1.7732;-3.6904,3.4219,-1.0408;-1.9588,.5819,-1.3278;2.251,2.3642,-1.8006;3.0995,3.3916,-.6403;1.7855,-.1341,-.6375;5.1113,2.4608,.1146;6.4476,.5182,.8443;5.4355,-1.738,.9078;1.613,-3.758,-1.3869;1.5339,-1.3454,2.1447;-.7991,-4.2464,-1.1035;-.8745,-1.8174,2.4116;-2.0437,-3.2782,.7996; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-3.9699,-.9385,1.3342;-3.5469,-1.6903,-1.416;1.3762,2.6014,.0716;.0133,1.8236,-1.5286;3.0539,-2.3273,.1987;-2.1982,2.9487,.4135;-2.09,1.4756,.6846;-.8351,2.3377,.6571;-2.7358,3.8043,1.5358;-2.6031,3.4439,-.9524;-2.3962,.4739,-.3456;.1909,2.2128,-.4025;-3.1958,-.5679,-.1614;2.5362,2.4648,-.7526;3.359,1.2931,-.2979;2.7981,.0197,-.2857;4.6718,1.4712,.1134;3.5436,-1.0594,.1647;5.4223,.379,.5281;4.8636,-.885,.5676;1.7089,-2.5284,.359;1.0597,-3.3415,-.5556;1.0192,-1.9777,1.4324;-.2909,-3.6126,-.3893;-.3316,-2.2481,1.5805;-.9906,-3.0679,.6755;-2.3685,1.1776,1.6887;-.4118,2.5404,1.6337;-2.4479,3.4233,2.5163;-2.3658,4.8279,1.4557;-3.8258,3.8392,1.5016;-2.282,4.4782,-1.0871;-2.1912,2.8646,-1.7732;-3.6904,3.4219,-1.0408;-1.9588,.5819,-1.3278;2.251,2.3642,-1.8006;3.0995,3.3916,-.6403;1.7855,-.1341,-.6375;5.1113,2.4608,.1146;6.4476,.5182,.8443;5.4355,-1.738,.9078;1.613,-3.758,-1.3869;1.5339,-1.3454,2.1447;-.7991,-4.2464,-1.1035;-.8745,-1.8174,2.4116;-2.0437,-3.2782,.7996; -1958.42494096 2649.49719258 -4607.92213354 -7952.29881487 3344.37668133 -3911.03950588 1952.61456492 2.00297569 101.999937634573 101.999937634573 203.999875269146 -143.517309274214 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 -2765.6252 -2765.4777 -524.7861 -524.4764 -523.0864 -283.4750 -282.7319 -281.5952 -281.4397 -281.4217 -280.7840 -280.5630 -280.4665 -280.2893 -280.2272 -279.9575 -279.8313 -279.8004 -279.7880 -279.7801 -279.7788 -279.7770 -279.7356 -279.7176 -279.6202 -279.5449 -260.8929 -260.7445 -199.7326 -199.5893 -199.4906 -199.4821 -199.3374 -199.3331 -33.6994 -32.8897 -31.1975 -28.3685 -27.7435 -27.0086 -26.5838 -25.9132 -24.8215 -24.1609 -24.0112 -23.6642 -23.5384 -23.1449 -22.6315 -22.2751 -20.9089 -20.4685 -19.8088 -19.5203 -19.0718 -18.8415 -18.3261 -17.9247 -17.8453 -17.0485 -16.9043 -16.5519 -16.2958 -16.1281 -15.9532 -15.8842 -15.7736 -15.4407 -15.1492 -14.8846 -14.8594 -14.5970 -14.4009 -14.3216 -14.3033 -14.0193 -13.8741 -13.8188 -13.6564 -13.5224 -13.2639 -13.0983 -12.9397 -12.7296 -12.6573 -12.4618 -12.3266 -12.2645 -12.0376 -11.8700 -11.6674 -11.5482 -11.4266 -11.1387 -11.0423 -10.6348 -10.3669 -9.5596 -9.3147 -9.2466 -8.8575 -8.4161 1.1973 1.4101 1.6726 1.8444 2.0779 2.3265 2.5641 2.9182 3.3855 3.5142 3.6490 3.8554 4.0642 4.2059 4.3204 4.3751 4.5687 4.6819 4.7409 4.9076 4.9506 4.9635 5.1369 5.2856 5.5172 5.6354 5.7280 5.8083 5.9896 6.0801 6.1148 6.2156 6.2221 6.3789 6.4522 6.6563 6.7429 6.9409 7.0780 7.2061 7.4543 7.4829 7.6000 7.6376 7.7178 7.8701 8.0033 8.0433 8.1306 8.2051 8.5845 8.6347 8.6908 8.7736 8.8312 9.0180 9.1260 9.1921 9.4518 9.5032 9.5646 9.6425 9.7202 9.8665 9.9543 10.0510 10.1627 10.2970 10.5425 10.5657 10.7045 10.8167 10.9934 11.0889 11.2009 11.3179 11.3778 11.4431 11.4757 11.5662 11.6709 11.7537 11.8954 11.9580 11.9920 12.1443 12.2597 12.3621 12.5325 12.6173 12.6601 12.7590 12.8037 12.8484 12.8926 12.9790 13.1071 13.2034 13.2922 13.3803 13.4207 13.5457 13.6155 13.7533 13.8627 13.9518 14.0023 14.0218 14.1923 14.2298 14.3298 14.4235 14.5682 14.7321 14.7914 14.8508 14.9300 14.9414 15.0319 15.1981 15.3924 15.4315 15.5183 15.6342 15.7264 15.8320 15.8965 15.9733 16.2045 16.2655 16.4320 16.5129 16.6273 16.7498 16.8437 16.8893 16.9842 17.1024 17.2171 17.4407 17.4934 17.5580 17.7053 17.8410 17.9916 18.1687 18.2393 18.4542 18.6527 18.8309 18.9341 18.9941 19.2586 19.4546 19.6025 19.6773 19.8127 20.0237 20.1536 20.2625 20.4621 20.5390 20.6738 20.7917 20.9494 21.0090 21.1905 21.2427 21.3424 21.3534 21.6369 21.8656 21.9322 21.9606 22.1294 22.3777 22.4755 22.6030 22.6673 22.7839 23.1005 23.2517 23.3209 23.4694 23.5810 23.7084 23.8029 23.9888 24.0633 24.2453 24.3381 24.4187 24.6050 24.7461 24.9333 25.1069 25.1687 25.2673 25.4865 25.6207 25.7107 25.7488 26.0032 26.1289 26.4382 26.6175 26.8353 27.0939 27.1925 27.3606 27.4873 27.6436 27.6852 27.9625 28.0277 28.1422 28.2308 28.3418 28.6022 28.6778 28.8299 29.1117 29.2550 29.4563 29.5768 29.6928 29.7249 29.8548 30.0553 30.0993 30.2564 30.3130 30.4504 30.6839 30.7725 30.9885 31.1795 31.3033 31.3526 31.4418 31.7400 31.8246 31.9427 32.1045 32.1845 32.3744 32.5861 32.6677 32.8558 32.9041 33.0669 33.0977 33.3438 33.4512 33.6489 33.7808 33.8681 34.0022 34.2093 34.2845 34.5034 34.6376 34.9740 35.0873 35.1233 35.3753 35.4650 35.5499 35.8687 35.9516 36.0207 36.1609 36.4974 36.5798 36.6893 36.8913 37.1043 37.1698 37.3125 37.4969 37.6324 37.6864 37.8671 37.8809 37.9487 38.0860 38.1813 38.2443 38.4894 38.5663 38.7361 38.8250 38.9535 39.0756 39.1717 39.4994 39.6167 39.7101 39.9131 40.0115 40.0599 40.2491 40.3494 40.4939 40.8453 40.9753 41.0259 41.1831 41.4167 41.4802 41.6566 41.8007 41.9029 41.9366 42.2980 42.4466 42.7108 42.8197 42.9380 43.0412 43.2332 43.2829 43.3965 43.7462 43.8838 43.9272 44.0283 44.2378 44.4018 44.5152 44.6320 44.6862 44.9826 45.0684 45.2084 45.3509 45.5290 45.6679 45.8906 45.9936 46.0641 46.1781 46.4171 46.4697 46.7394 46.7735 47.0903 47.1832 47.4097 47.5758 47.8119 47.8656 48.1156 48.2824 48.4387 48.5913 48.9205 49.0603 49.1955 49.3073 49.4406 49.5880 49.9314 50.1538 50.4972 50.6980 50.7414 50.9864 51.0632 51.1659 51.2228 51.2863 51.5708 51.8061 51.9690 51.9919 52.0870 52.4116 52.5485 52.9029 52.9194 53.0842 53.3752 53.5468 53.5981 53.8167 53.9514 54.0711 54.5048 54.7963 55.0135 55.1158 55.4902 55.5238 55.9552 56.0478 56.3422 56.4049 56.6702 56.7339 56.8588 56.9994 57.1668 57.3544 57.4718 57.6594 57.7186 57.8511 58.1550 58.3391 58.4294 58.7433 58.9265 59.0208 59.4260 59.5297 59.7205 59.8469 60.0579 60.2466 60.4425 60.6010 60.7304 61.1279 61.2755 61.4881 61.6737 61.9371 62.0533 62.3552 62.3789 62.8867 63.0744 63.4452 63.5584 63.6920 63.8666 63.9973 64.1629 64.3774 64.7033 64.8383 65.0505 65.2203 65.3168 65.5467 65.6185 65.8609 66.0023 66.0662 66.3427 66.4563 66.6089 66.8372 67.0392 67.5000 67.6743 67.7157 67.8767 67.9885 68.3171 68.3383 68.6298 68.9337 69.3153 69.4541 69.9081 70.1321 70.2403 70.7944 70.9761 71.1813 71.7507 71.9586 72.0674 72.5125 72.5948 72.8994 73.2463 73.7660 74.0004 74.1317 74.1908 74.6638 74.6954 74.9025 75.1425 75.4297 75.5156 75.7779 75.9991 76.0940 76.4188 76.5852 76.7582 76.8538 76.9258 77.0652 77.1743 77.3034 77.5936 77.7276 77.9971 78.2034 78.4068 78.4870 78.7367 78.9122 78.9589 79.0372 79.2366 79.3499 79.4185 79.4632 79.7686 79.9569 80.0150 80.0822 80.2504 80.5146 80.7458 80.8913 80.9231 81.0430 81.3069 81.3926 81.5165 81.7885 81.8928 82.0525 82.2760 82.3727 82.4973 82.6663 82.7632 82.9289 83.1200 83.2070 83.2885 83.4170 83.8019 83.8531 83.9904 84.2255 84.3454 84.3883 84.5397 84.7169 84.8287 84.9832 85.0874 85.0980 85.1973 85.2934 85.4575 85.6169 85.7636 85.8623 86.0248 86.0805 86.2981 86.4622 86.5693 86.8402 86.9175 86.9799 87.1390 87.3065 87.3635 87.6706 87.7161 87.8025 88.1570 88.3811 88.4619 88.6111 88.6783 88.8975 88.9279 89.0212 89.2109 89.3067 89.3963 89.5817 89.6107 89.7517 89.8906 89.9849 90.0159 90.1164 90.3088 90.4317 90.7517 90.8223 90.9850 91.1341 91.2249 91.4618 91.6275 91.7370 91.9817 92.1150 92.2009 92.4798 92.5637 92.6267 92.7016 92.9376 93.0183 93.0992 93.3393 93.5034 93.5652 93.6014 93.7674 93.8041 94.0825 94.1762 94.3029 94.4725 94.6896 94.7663 94.9124 95.1284 95.1979 95.3833 95.4343 95.5218 95.6439 95.8609 96.0036 96.0260 96.2434 96.3990 96.5026 96.6299 96.8209 96.9531 97.0228 97.1269 97.3226 97.5354 97.6796 97.7142 97.8513 98.1267 98.2101 98.3713 98.5064 98.5348 98.6143 98.7653 98.9522 99.2427 99.3174 99.4405 99.5976 99.8415 99.9810 100.3230 100.4081 100.4832 100.8981 100.9188 101.0833 101.3442 101.5926 101.8289 101.9069 102.1029 102.3468 102.5653 102.7011 102.7665 102.8801 103.1836 103.3918 103.4514 103.7737 104.1748 104.3115 104.5434 104.7429 104.8091 104.9565 105.1146 105.3041 105.3597 105.5077 105.6220 105.7061 105.8502 105.9487 106.1263 106.2500 106.3252 106.5089 106.7434 106.8994 107.0542 107.1795 107.2934 107.4712 107.6115 107.8220 108.1652 108.2833 108.3713 108.7084 108.8972 109.0387 109.1328 109.2857 109.5392 109.8263 109.9452 110.1596 110.3340 110.5275 110.6026 110.7563 110.8854 111.2318 111.2395 111.5987 111.7028 111.8675 112.0417 112.2979 112.4048 112.5708 112.9887 113.0375 113.1299 113.2869 113.4466 113.6072 113.8232 113.8701 114.0541 114.3670 114.5350 114.8081 114.9535 115.0912 115.2274 115.4128 115.5232 115.8148 115.9967 116.0970 116.3074 116.4316 116.5114 116.5940 116.8462 116.9521 117.1213 117.3927 117.5425 117.6322 117.8416 117.9095 118.0204 118.0992 118.3399 118.4975 118.5468 118.7381 118.8632 119.0096 119.1024 119.3009 119.4671 119.6692 119.8309 119.9102 120.1270 120.2173 120.3259 120.5238 120.7584 120.9418 121.1220 121.3849 121.4002 121.6387 121.7175 121.9858 122.2444 122.3189 122.6109 122.9322 123.1577 123.5211 123.6528 123.9566 124.2499 124.6760 125.0161 125.3956 125.6534 125.6973 125.8713 126.4979 126.8105 126.9484 127.1199 127.7450 128.1382 128.3161 128.7277 128.9930 129.0844 129.1926 129.4743 129.5175 129.7095 129.8140 129.9781 130.0392 130.3545 130.6224 130.8629 131.1619 131.4564 131.5730 131.8661 131.9677 132.1889 132.3735 132.7674 132.9351 133.0648 133.1094 133.6376 133.8422 133.9749 134.0998 134.5314 134.8027 135.2098 135.4271 135.7696 136.1471 136.2600 136.8233 136.9161 137.2113 137.3727 137.6240 137.6729 137.9438 138.2522 138.3925 138.5247 138.7716 138.9445 139.9016 140.2147 140.3196 140.6642 140.8168 141.3378 141.5100 142.1011 142.3783 143.2062 143.3786 144.1985 144.3103 144.4358 144.4953 144.6692 144.7194 145.1223 145.4065 145.4681 145.5900 145.9251 146.1268 146.6442 146.7835 146.8849 147.0785 147.4959 148.0066 148.2929 148.4862 148.5487 148.7555 148.9862 149.1616 149.4954 150.0074 150.2874 150.3181 150.5552 150.5936 150.7973 151.4501 151.9463 152.2532 152.4867 152.7176 153.0711 153.3490 153.7174 154.1725 154.4435 154.8983 155.2234 155.8833 156.2508 156.6009 156.7636 157.3859 157.5346 157.7141 157.9306 158.4593 158.9208 159.2321 159.3753 159.8278 160.4262 160.8918 161.6963 162.2336 162.6921 163.2333 163.6999 164.3986 164.8985 167.6308 169.0405 169.3978 172.4664 172.6651 172.9899 173.2383 174.9922 176.1552 177.5415 178.8418 180.0521 181.3457 183.4266 184.9395 185.5011 186.7441 187.4932 189.4628 190.0500 192.1728 192.8954 194.7134 196.0940 196.4428 198.9614 201.9787 204.8971 206.5727 207.3350 221.8981 222.2463 223.0810 223.2817 223.5725 224.6746 226.1109 226.3944 228.2889 229.8978 295.9712 296.1988 296.3417 297.7653 309.0833 314.5309 610.2148 618.8350 619.6578 625.4298 631.0112 631.3750 632.5033 634.0906 634.4458 635.5014 635.9588 636.3140 636.9417 637.2106 638.1685 640.8515 642.7888 647.0617 650.2601 657.3520 658.6090 704.8875 710.3303 1201.2299 1210.1820 1215.3442 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 -0.061531 -0.049250 -0.261540 -0.407256 -0.299154 0.075892 0.039608 -0.091788 -0.232178 -0.255143 -0.213719 0.361192 0.045087 0.062995 -0.004565 -0.150875 -0.197365 0.223196 -0.073188 -0.219014 0.238180 -0.191573 -0.169293 -0.094068 -0.124297 -0.124595 0.074022 0.090042 0.072886 0.090239 0.092523 0.089074 0.101652 0.094459 0.131259 0.120091 0.091535 0.144646 0.106467 0.124099 0.125604 0.123900 0.129046 0.124030 0.119153 0.129515 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 17.0615 17.0493 8.2615 8.4073 8.2992 5.9241 5.9604 6.0918 6.2322 6.2551 6.2137 5.6388 5.9549 5.9370 6.0046 6.1509 6.1974 5.7768 6.0732 6.2190 5.7618 6.1916 6.1693 6.0941 6.1243 6.1246 0.9260 0.9100 0.9271 0.9098 0.9075 0.9109 0.8983 0.9055 0.8687 0.8799 0.9085 0.8554 0.8935 0.8759 0.8744 0.8761 0.8710 0.8760 0.8808 0.8705 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 -0.0615 -0.0493 -0.2615 -0.4073 -0.2992 0.0759 0.0396 -0.0918 -0.2322 -0.2551 -0.2137 0.3612 0.0451 0.0630 -0.0046 -0.1509 -0.1974 0.2232 -0.0732 -0.2190 0.2382 -0.1916 -0.1693 -0.0941 -0.1243 -0.1246 0.0740 0.0900 0.0729 0.0902 0.0925 0.0891 0.1017 0.0945 0.1313 0.1201 0.0915 0.1446 0.1065 0.1241 0.1256 0.1239 0.1290 0.1240 0.1192 0.1295 1.2661 1.2588 2.1430 2.0673 2.1096 3.8035 3.7841 3.9117 3.9081 3.9172 3.8827 4.1558 4.2632 3.8532 3.8218 3.8756 4.0148 3.8547 3.9495 4.0443 3.8067 4.0553 3.9718 3.9621 3.8942 3.8947 1.0332 1.0306 1.0088 1.0045 1.0040 1.0023 1.0186 1.0018 1.0383 1.0143 1.0003 1.0171 1.0134 0.9991 1.0133 1.0128 1.0047 1.0038 1.0103 1.0164 1.2661 1.2588 2.1430 2.0673 2.1096 3.8035 3.7841 3.9117 3.9081 3.9172 3.8827 4.1558 4.2632 3.8532 3.8218 3.8756 4.0148 3.8547 3.9495 4.0443 3.8067 4.0553 3.9718 3.9621 3.8942 3.8947 1.0332 1.0306 1.0088 1.0045 1.0040 1.0023 1.0186 1.0018 1.0383 1.0143 1.0003 1.0171 1.0134 0.9991 1.0133 1.0128 1.0047 1.0038 1.0103 1.0164 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1564 1.1423 1.1698 0.8754 1.8556 1.0024 0.9219 0.9061 0.8983 0.9511 0.9615 0.8837 0.9902 1.0049 1.0206 1.0298 0.9817 0.9931 0.9921 0.9872 0.9866 0.9891 1.8711 0.9554 0.9404 0.9929 0.9872 1.3854 1.4267 1.3887 0.9217 1.4478 0.9636 1.4007 1.4639 0.9784 0.9718 1.4365 1.3756 1.4409 0.9739 1.4334 0.9720 1.4420 0.9740 1.3839 0.9820 0.9651 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 -0.026773655 -1958.451714613369 13.33161 -13.10391 0.22771 22.06350 -20.93279 1.13071 3.45979 -2.92431 0.53548 1.27165 3.23227