Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 Cl Cl O O O N N N 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 1 1 2 2 2 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2/rA:45nClClOOONNN2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;s7;/rC:1.9341,-2.5902,-.8992;-7.7538,1.5327,.2842;3.1608,.0694,-1.0465;2.4593,1.7388,.2347;-2.8608,-1.6708,.0189;4.6004,.1436,1.2815;5.0541,1.3693,1.5545;6.7485,.185,.8893;2.4516,.3485,.1161;2.9877,1.1555,-1.9608;3.2003,-.2263,1.3205;2.378,2.2597,-1.0841;1.0306,-.2035,.091;2.1234,.7748,-3.1411;.7127,-1.4832,-.3636;-.0217,.5738,.5644;-.5907,-1.9444,-.3958;-1.3345,.1341,.5588;-1.6187,-1.129,.0587;5.6492,-.5499,.8697;6.3526,1.3705,1.3176;-3.9747,-.8745,.0802;-4.9214,-1.1662,1.0479;-4.1867,.1464,-.8363;-6.0948,-.4299,1.1062;-5.3525,.8919,-.7706;-6.2972,.6,.2021;3.9841,1.4368,-2.3094;3.1698,-1.3136,1.3307;2.7599,.1303,2.2513;2.9377,3.1934,-1.1213;1.3383,2.4662,-1.358;1.1161,.4897,-2.8335;2.5609,-.0504,-3.7031;2.0371,1.6248,-3.8201;.1807,1.5614,.956;-.8149,-2.9362,-.7665;-2.1114,.7794,.946;5.5709,-1.5838,.5729;6.9711,2.2408,1.4672;-4.7506,-1.9712,1.7509;-3.455,.3651,-1.604;-6.837,-.6602,1.8584;-5.5203,1.6897,-1.4813;4.4452,2.1115,1.8852; 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 1525 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 1 Mult 1 NEL 210 Dim 1111 ENuc 2733.1723902895 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 6.239e-06 Time for diagonalization 1.257 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.856 sec Total time needed 2.124 sec 17 17 8 8 8 7 7 7 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 1 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2/rA:45nClClOOONNN2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;s7;/rC:1.9341,-2.5902,-.8992;-7.7538,1.5327,.2842;3.1608,.0694,-1.0465;2.4593,1.7388,.2347;-2.8608,-1.6708,.0189;4.6004,.1436,1.2815;5.0541,1.3693,1.5545;6.7485,.185,.8893;2.4516,.3485,.1161;2.9877,1.1555,-1.9608;3.2003,-.2263,1.3205;2.378,2.2597,-1.0841;1.0306,-.2035,.091;2.1234,.7748,-3.1411;.7127,-1.4832,-.3636;-.0217,.5738,.5644;-.5907,-1.9444,-.3958;-1.3345,.1341,.5588;-1.6187,-1.129,.0587;5.6492,-.5499,.8697;6.3526,1.3705,1.3176;-3.9747,-.8745,.0802;-4.9214,-1.1662,1.0479;-4.1867,.1464,-.8363;-6.0948,-.4299,1.1062;-5.3525,.8919,-.7706;-6.2972,.6,.2021;3.9841,1.4368,-2.3094;3.1698,-1.3136,1.3307;2.7599,.1303,2.2513;2.9377,3.1934,-1.1213;1.3383,2.4662,-1.358;1.1161,.4897,-2.8335;2.5609,-.0504,-3.7031;2.0371,1.6248,-3.8201;.1807,1.5614,.956;-.8149,-2.9362,-.7665;-2.1114,.7794,.946;5.5709,-1.5838,.5729;6.9711,2.2408,1.4672;-4.7506,-1.9712,1.7509;-3.455,.3651,-1.604;-6.837,-.6602,1.8584;-5.5203,1.6897,-1.4813;4.4452,2.1115,1.8852; 1 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 cpcm smd true smdsolvent "1-OCTANOL" 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2/rA:45nClClOOONNN2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;s7;/rC:1.9341,-2.5902,-.8992;-7.7538,1.5327,.2842;3.1608,.0694,-1.0465;2.4593,1.7388,.2347;-2.8608,-1.6708,.0189;4.6004,.1436,1.2815;5.0541,1.3693,1.5545;6.7485,.185,.8893;2.4516,.3485,.1161;2.9877,1.1555,-1.9608;3.2003,-.2263,1.3205;2.378,2.2597,-1.0841;1.0306,-.2035,.091;2.1234,.7748,-3.1411;.7127,-1.4832,-.3636;-.0217,.5738,.5644;-.5907,-1.9444,-.3958;-1.3345,.1341,.5588;-1.6187,-1.129,.0587;5.6492,-.5499,.8697;6.3526,1.3705,1.3176;-3.9747,-.8745,.0802;-4.9214,-1.1662,1.0479;-4.1867,.1464,-.8363;-6.0948,-.4299,1.1062;-5.3525,.8919,-.7706;-6.2972,.6,.2021;3.9841,1.4368,-2.3094;3.1698,-1.3136,1.3307;2.7599,.1303,2.2513;2.9377,3.1934,-1.1213;1.3383,2.4662,-1.358;1.1161,.4897,-2.8335;2.5609,-.0504,-3.7031;2.0371,1.6248,-3.8201;.1807,1.5614,.956;-.8149,-2.9362,-.7665;-2.1114,.7794,.946;5.5709,-1.5838,.5729;6.9711,2.2408,1.4672;-4.7506,-1.9712,1.7509;-3.455,.3651,-1.604;-6.837,-.6602,1.8584;-5.5203,1.6897,-1.4813;4.4452,2.1115,1.8852; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2517 GEPOL Volume 2769.4317 GEPOL Surface-area 1488.2970 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.1s) Overall time for CPCM initialization 1.2s -2045.13876388 2733.17239029 -4778.31115417 -8212.49635635 3434.18520218 -0.10381220 -4084.17701739 2039.03825350 2.00299186 105.000088213083 105.000088213083 210.000176426166 -150.074719711257 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 1108 1109 1110 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.6136 -2765.4371 -525.0509 -524.4995 -524.2463 -396.8413 -396.5587 -393.7560 -283.6649 -283.1132 -283.0501 -282.1846 -282.0740 -281.9829 -281.8838 -281.6718 -281.5383 -281.3301 -280.6202 -280.4500 -280.3460 -280.3268 -280.3122 -280.2603 -280.2100 -280.2054 -279.4966 -260.8893 -260.7096 -199.7262 -199.5432 -199.4921 -199.4753 -199.3097 -199.3026 -35.3501 -34.0992 -33.4438 -31.2316 -29.8764 -28.6936 -28.1876 -27.8950 -26.6396 -26.3062 -25.9566 -24.5870 -24.2814 -24.2292 -23.6979 -23.3020 -22.4687 -22.3394 -21.8801 -21.3647 -20.5945 -20.4586 -20.1795 -19.9956 -19.4408 -19.1428 -18.5647 -18.2182 -17.9049 -17.5228 -17.3596 -16.9436 -16.7189 -16.5447 -16.3684 -16.2996 -15.9046 -15.5881 -15.3812 -15.2271 -14.9920 -14.8470 -14.8054 -14.7801 -14.6093 -14.5361 -14.3004 -14.2721 -13.8693 -13.6147 -13.5195 -13.2953 -12.9819 -12.8767 -12.6481 -12.6008 -12.4481 -12.2107 -12.0500 -11.9984 -11.8575 -11.6531 -11.4633 -11.3971 -10.7833 -10.4552 -9.9663 -9.6852 -9.4690 -8.7761 0.3094 0.8349 1.0001 1.3280 1.5106 2.0757 2.7465 2.7705 2.8585 3.1788 3.5460 3.7718 3.9074 4.0632 4.1576 4.2576 4.3408 4.4130 4.5378 4.5937 4.7162 4.8323 4.8725 5.0041 5.0514 5.2286 5.3022 5.4669 5.4957 5.5603 5.6448 5.7589 5.9265 6.0891 6.2368 6.2934 6.4069 6.5009 6.9236 6.9875 7.1379 7.2274 7.3318 7.3637 7.4392 7.6617 7.7629 7.8469 7.9944 8.0575 8.1991 8.2973 8.4336 8.5030 8.6239 8.6821 8.7187 8.8404 8.9804 9.0516 9.1335 9.3140 9.3716 9.4797 9.7079 9.7747 9.8431 10.0160 10.0189 10.0985 10.2004 10.2401 10.3478 10.5602 10.6264 10.8675 10.9786 11.0118 11.1698 11.2122 11.2527 11.4224 11.4862 11.5073 11.7602 11.7829 11.8555 11.9797 12.0279 12.0811 12.1996 12.3182 12.4137 12.5049 12.5983 12.6630 12.7137 12.7919 12.8635 12.9974 13.1019 13.1587 13.3258 13.4672 13.5046 13.6668 13.6988 13.7494 13.8588 13.9581 14.0408 14.1519 14.2247 14.3350 14.3496 14.5094 14.5780 14.6063 14.6888 14.8285 14.9057 14.9841 15.0138 15.2601 15.2806 15.4802 15.5206 15.6317 15.8314 16.0239 16.0496 16.2090 16.3753 16.4702 16.6008 16.7024 16.7374 16.8460 16.9967 17.2340 17.2878 17.3468 17.4308 17.6546 17.7097 17.9310 18.0818 18.1996 18.2736 18.4988 18.5640 18.7790 18.9170 19.0647 19.3138 19.4706 19.6241 19.6727 19.8006 19.8571 19.9650 20.1434 20.2039 20.3072 20.4723 20.5681 20.7689 20.8667 20.9257 21.0970 21.3805 21.4579 21.5015 21.7518 21.9413 22.0303 22.1010 22.2206 22.4298 22.4527 22.6489 22.7941 22.9352 22.9834 23.0727 23.2055 23.3815 23.5699 23.7002 23.8855 24.0905 24.3025 24.3526 24.5437 24.6378 24.7807 24.9237 25.1292 25.2175 25.5756 25.6143 25.7525 25.9352 26.1095 26.2362 26.3144 26.5854 26.7140 26.8209 26.9778 27.1558 27.3187 27.3686 27.5501 27.7322 27.8467 27.9364 28.2719 28.3964 28.4596 28.5662 28.6646 28.7804 28.9733 29.0376 29.1176 29.3453 29.4319 29.5555 29.7828 30.0084 30.0268 30.1241 30.2958 30.5998 30.7473 30.7720 31.1959 31.2954 31.3294 31.4633 31.6693 31.7787 31.8589 31.9194 32.1952 32.3212 32.4412 32.6040 32.8282 33.1506 33.3246 33.4186 33.5247 33.7831 33.9750 34.1569 34.4068 34.5470 34.6615 34.9111 34.9556 35.2161 35.2721 35.3988 35.4668 35.7358 35.8012 35.8272 36.0447 36.2519 36.2660 36.5897 36.6384 36.7780 37.0021 37.0224 37.1776 37.2229 37.4072 37.4226 37.6131 37.7471 37.9068 38.0385 38.1015 38.3003 38.6203 38.6962 38.7414 38.9168 39.1133 39.2173 39.3225 39.5118 39.6717 39.7298 39.7707 40.0823 40.2843 40.5788 40.6340 40.7288 40.8647 40.9074 41.2600 41.3279 41.4568 41.6654 41.8665 41.9189 42.0314 42.2184 42.3432 42.4563 42.6400 42.7843 43.0157 43.1252 43.2529 43.3253 43.4532 43.6376 43.7291 43.7630 43.9163 43.9714 44.2131 44.3985 44.4609 44.7356 44.8256 44.9689 45.2114 45.2553 45.4241 45.5849 45.6301 45.8254 46.1489 46.2882 46.3160 46.5331 46.7435 46.8094 47.1248 47.1823 47.3638 47.5729 47.7055 47.8955 48.0491 48.1745 48.4054 48.7423 49.0747 49.0943 49.2552 49.4777 49.5068 49.7786 49.9926 50.3079 50.6058 50.7337 50.7482 51.0885 51.1312 51.2901 51.7107 51.7971 51.8572 52.0093 52.4434 52.5064 52.6964 52.8063 52.9923 53.0974 53.1129 53.1885 53.5122 53.8314 54.1404 54.2927 54.4270 54.5367 54.7194 54.8140 54.9857 55.1843 55.3527 55.7015 55.8400 56.0342 56.1635 56.7277 56.7320 56.8511 57.0772 57.4997 57.5957 57.6428 57.9019 58.0738 58.2084 58.4910 58.7529 59.0683 59.1811 59.3179 59.4462 59.4544 59.6951 59.7872 59.8966 60.0669 60.3098 60.5824 60.6560 60.9371 61.0511 61.4417 61.6795 61.7811 61.9401 62.1800 62.5121 62.6104 62.6823 62.8106 63.4160 63.5629 63.7232 63.8916 64.3189 64.3485 64.4441 64.5637 64.6374 64.7741 64.9716 65.0107 65.3167 65.4496 65.6731 65.7298 65.9470 66.1123 66.4417 66.5457 66.5583 66.8930 67.0635 67.5003 67.5312 67.7232 67.8634 68.0042 68.4669 68.8149 68.9581 69.0848 69.4075 69.7244 69.9776 70.2092 71.2384 71.7752 71.9194 72.1753 72.4676 72.5796 72.7676 72.8677 73.3089 73.5057 73.5767 73.7967 73.9936 74.4440 74.6623 74.7967 75.0574 75.3158 75.4266 75.7926 75.9088 75.9882 76.2809 76.5772 76.6894 76.7595 76.8728 76.9541 77.0773 77.3036 77.5214 77.6508 77.7915 78.0377 78.2760 78.4635 78.7868 78.8706 78.9342 79.0823 79.2306 79.2961 79.5514 79.5616 79.6056 79.9550 80.0239 80.2638 80.4594 80.5340 80.7583 80.7804 80.8766 80.9466 81.1776 81.2829 81.4674 81.5766 81.7228 81.8416 81.9637 82.0921 82.2125 82.3411 82.4030 82.4698 82.7695 82.9551 83.0065 83.2377 83.2835 83.4624 83.7084 83.8681 83.9629 84.1538 84.3104 84.4995 84.5580 84.6096 84.8852 84.9406 85.1031 85.2510 85.5171 85.5675 85.7656 85.8679 86.1374 86.3481 86.4017 86.5872 86.7578 86.9688 87.1580 87.2303 87.3584 87.4913 87.6715 87.7636 88.0108 88.0740 88.2723 88.3137 88.4830 88.6240 88.6954 88.7387 88.8676 88.9813 89.0702 89.1417 89.2119 89.3885 89.6912 89.7928 89.8745 89.9540 90.1582 90.2192 90.5091 90.6346 90.8815 90.9015 91.0866 91.1609 91.5280 91.5688 91.6660 91.7762 91.9722 92.1601 92.1791 92.3185 92.5008 92.5412 92.8399 92.9662 93.2708 93.4557 93.5665 93.8893 94.0029 94.0813 94.2939 94.3906 94.5121 94.7449 94.8674 95.0899 95.2495 95.4377 95.6303 95.8931 96.0203 96.1071 96.1647 96.2485 96.3449 96.5280 96.6625 96.9884 97.1181 97.2074 97.4019 97.5594 97.6280 97.8534 97.9989 98.0704 98.2191 98.3184 98.3910 98.5800 98.8039 98.8855 99.0506 99.1151 99.3884 99.6546 99.8209 99.8991 100.0105 100.3856 100.4428 100.5863 100.7272 101.0182 101.1495 101.2430 101.4907 101.6584 101.8820 101.9132 102.0058 102.1552 102.2466 102.6480 102.8621 102.9973 103.0928 103.3022 103.3514 103.6882 103.9156 104.1968 104.2583 104.4872 104.7218 104.7583 104.9489 105.1971 105.2686 105.2732 105.6123 105.6216 105.8174 106.0809 106.1703 106.2611 106.3603 106.4431 106.5170 106.6714 106.8432 106.8631 107.1106 107.3164 107.4394 107.9313 108.0514 108.3850 108.4431 108.5727 108.6991 108.7342 109.1106 109.3139 109.5552 109.6092 109.9286 109.9482 110.3212 110.4272 110.6341 110.6730 110.8019 111.1201 111.2094 111.4329 111.6581 111.8210 111.8979 112.1153 112.3566 112.4185 112.7995 112.9201 113.0260 113.3005 113.3680 113.5260 113.7841 114.0857 114.2063 114.2905 114.4100 114.5744 114.7501 115.0068 115.2301 115.3873 115.4121 115.8021 115.9231 116.0211 116.3672 116.5265 116.7391 116.9558 117.2071 117.3969 117.4316 117.5428 117.5646 117.7741 117.9651 118.1714 118.2724 118.5386 118.7223 118.9446 118.9729 119.1537 119.2952 119.6336 119.7787 119.9292 120.1597 120.2963 120.6554 120.7648 120.8490 120.9862 121.1306 121.2901 121.6277 121.7823 121.8380 122.1872 122.5341 122.8441 122.9042 123.2663 123.7319 123.8639 124.3676 124.8330 125.1490 125.4362 125.7315 125.8399 126.0394 126.3022 126.4560 126.5820 126.8279 126.8745 127.3390 127.5795 127.7512 127.8859 128.5461 129.2688 129.4655 129.7046 129.8249 129.9583 130.3245 130.4153 130.6460 130.8562 131.0014 131.1490 131.3021 131.3305 131.4497 131.5652 131.8854 131.8901 132.1456 132.2761 132.5984 132.6940 132.8793 133.1181 133.7120 133.9472 134.0934 134.3369 134.5707 134.8555 135.1182 135.4164 135.5673 135.7014 136.0163 136.4485 136.5760 137.0594 137.1755 137.3750 137.5161 137.7037 137.8750 138.0850 138.2463 138.4681 138.9500 139.1840 139.4368 139.7828 140.1767 140.4804 140.9693 141.0508 141.5263 141.7068 142.0145 142.3610 142.6153 142.6920 143.0056 143.4272 143.8199 143.9733 144.4436 144.5665 144.8170 145.1966 145.4603 145.8437 146.0428 146.0662 146.3751 147.1185 147.2500 147.5304 147.7200 147.8391 147.9197 148.0142 148.4294 148.6220 148.9864 149.7597 149.8705 149.9830 150.1868 150.4544 150.7062 151.0244 151.5425 151.6275 151.9132 152.3374 153.2418 153.5571 153.9976 154.1743 154.3436 154.6296 154.7879 155.0711 155.2676 155.6919 155.8314 156.1487 156.3540 156.5834 156.6885 157.0375 157.0915 157.3039 157.5024 157.9464 158.0457 158.4853 159.0857 159.3571 159.4431 160.1919 160.5907 161.3224 161.8137 163.0418 163.1565 164.8944 165.4237 165.9477 166.3751 167.6966 168.3213 169.0809 169.4954 170.4132 170.9808 171.6296 171.8983 172.2119 173.4704 174.4451 176.0180 177.4554 178.3201 180.2199 182.7791 185.8344 188.0311 188.4519 189.1309 189.3200 190.3228 190.7134 190.9233 192.6180 194.8497 195.1179 197.3872 197.9627 200.5073 201.3541 204.1862 205.5357 206.5164 208.1604 221.4681 222.7315 222.8006 223.3339 224.1752 224.6145 227.1090 228.0982 229.4612 230.0856 294.7742 295.7685 297.2764 300.0199 312.3734 313.2550 614.1520 614.8631 625.7767 627.8452 628.4114 631.9072 632.2653 633.5747 634.1636 635.2272 636.2627 636.3223 638.6097 639.4165 642.5076 647.5809 647.9481 653.4435 654.1040 712.0899 717.5187 879.4945 892.6575 903.8919 1214.6753 1214.8955 1218.5627 1.0000000 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 Cl Cl O O O N N N 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 -0.073355 -0.093450 -0.373782 -0.395641 -0.315356 0.103547 -0.028745 -0.357526 0.592654 0.204002 -0.098360 -0.034040 -0.180355 -0.302857 0.016364 -0.131498 -0.218717 -0.227174 0.296524 0.166789 0.190262 0.279442 -0.235389 -0.204954 -0.108035 -0.121224 0.067032 0.090344 0.145711 0.164288 0.112095 0.103499 0.087174 0.093781 0.106239 0.150500 0.127296 0.156329 0.194368 0.204954 0.149588 0.161163 0.144927 0.145324 0.246265 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 Cl Cl O O O N N N 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 17.0734 17.0934 8.3738 8.3956 8.3154 6.8965 7.0287 7.3575 5.4073 5.7960 6.0984 6.0340 6.1804 6.3029 5.9836 6.1315 6.2187 6.2272 5.7035 5.8332 5.8097 5.7206 6.2354 6.2050 6.1080 6.1212 5.9330 0.9097 0.8543 0.8357 0.8879 0.8965 0.9128 0.9062 0.8938 0.8495 0.8727 0.8437 0.8056 0.7950 0.8504 0.8388 0.8551 0.8547 0.7537 17.0000 17.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 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 -0.0734 -0.0934 -0.3738 -0.3956 -0.3154 0.1035 -0.0287 -0.3575 0.5927 0.2040 -0.0984 -0.0340 -0.1804 -0.3029 0.0164 -0.1315 -0.2187 -0.2272 0.2965 0.1668 0.1903 0.2794 -0.2354 -0.2050 -0.1080 -0.1212 0.0670 0.0903 0.1457 0.1643 0.1121 0.1035 0.0872 0.0938 0.1062 0.1505 0.1273 0.1563 0.1944 0.2050 0.1496 0.1612 0.1449 0.1453 0.2463 1.2455 1.2095 1.9804 1.9694 2.0989 3.3804 3.5128 3.0418 3.8708 3.8307 3.7247 3.9269 3.5883 3.9847 3.9750 3.9553 4.1134 3.9726 3.7989 4.0010 3.9485 3.6959 4.0458 3.9804 3.9480 3.9549 3.8575 1.0006 1.0135 1.0011 1.0019 0.9990 0.9958 1.0083 1.0075 1.0203 1.0282 0.9997 0.9836 0.9726 1.0047 0.9943 1.0024 1.0035 0.9780 1.2455 1.2095 1.9804 1.9694 2.0989 3.3804 3.5128 3.0418 3.8708 3.8307 3.7247 3.9269 3.5883 3.9847 3.9750 3.9553 4.1134 3.9726 3.7989 4.0010 3.9485 3.6959 4.0458 3.9804 3.9480 3.9549 3.8575 1.0006 1.0135 1.0011 1.0019 0.9990 0.9958 1.0083 1.0075 1.0203 1.0282 0.9997 0.9836 0.9726 1.0047 0.9943 1.0024 1.0035 0.9780 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 1.0730 1.0096 1.0102 0.9034 0.9679 0.9145 1.0017 0.9000 1.0060 0.8499 1.3950 1.4018 0.9290 1.4775 1.4703 0.8726 0.8665 0.9216 0.9594 0.9921 0.9861 0.9834 0.9784 1.0167 1.2938 1.3171 0.9830 0.9923 0.9860 1.4828 1.4784 0.9639 1.3965 0.9668 1.3488 0.9630 0.9430 0.9384 1.3979 1.3588 1.4275 0.9831 1.4353 0.9712 1.3749 0.9778 1.3735 0.9756 0 14 1 26 2 8 2 9 3 8 3 11 4 18 4 21 5 6 5 10 5 19 6 20 6 44 7 19 7 20 8 10 8 12 9 11 9 13 9 27 10 28 10 29 11 30 11 31 12 14 12 15 13 32 13 33 13 34 14 16 15 17 15 35 16 18 16 36 17 18 17 37 19 38 20 39 21 22 21 23 22 24 22 40 23 25 23 41 24 26 24 42 25 26 25 43 -0.025423425 -2045.164187306216 20.99696 -13.77145 7.22551 10.37334 -7.83837 2.53497 -4.67077 6.79506 2.12429 7.94649 20.19837