Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 45 46 47 Cl S O O 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 H H H H H 1 2 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-4.9176,-2.6649,-2.5662;.3293,-1.2141,2.547;-1.6786,-1.2734,1.0422;.1962,-.6741,-.0509;-3.4226,.6697,-1.461;-4.0953,-.2645,-2.0894;4.5592,-.1693,.5041;6.0303,.1687,.2908;4.3617,-1.3483,1.4514;6.2733,1.3942,-.5857;2.9088,-1.792,1.6112;5.7949,1.2479,-2.026;2.0476,-.7107,2.241;6.139,2.4572,-2.8827;-.3528,-1.0016,.9571;-2.4755,-.9439,-.0152;-2.6354,.3868,-.4371;-1.9214,1.5182,.1841;-1.2497,2.4253,-.6337;-1.8974,1.6921,1.5665;-3.1688,-1.9317,-.6569;-.5476,3.4806,-.0748;-1.1959,2.753,2.1211;-.5141,3.6432,1.304;-3.9871,-1.5087,-1.6985;4.0801,-.4002,-.4527;4.0485,.718,.8922;6.5441,-.6962,-.1432;6.4975,.337,1.2667;4.7784,-1.1047,2.4347;4.9386,-2.2018,1.0827;7.346,1.6139,-.5924;5.7916,2.2671,-.1308;2.5028,-2.0741,.6368;2.8713,-2.6863,2.2378;6.2422,.3501,-2.4652;4.7133,1.0895,-2.0493;2.4252,-.447,3.2314;2.0241,.2085,1.6564;7.2176,2.6235,-2.923;5.6824,3.3674,-2.4883;5.7883,2.3348,-3.9088;-1.2622,2.2927,-1.7078;-2.4408,1.018,2.2163;-3.0794,-2.9721,-.375;-.0197,4.1736,-.7169;-1.1842,2.883,3.1953;.0401,4.4644,1.7398; 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 1482 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1119 ENuc 2417.6118254954 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.314e-06 Time for diagonalization 0.433 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.210 sec Total time needed 0.648 sec 17 16 8 8 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 1 1 1 1 1 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-4.9176,-2.6649,-2.5662;.3293,-1.2141,2.547;-1.6786,-1.2734,1.0422;.1962,-.6741,-.0509;-3.4226,.6697,-1.461;-4.0953,-.2645,-2.0894;4.5592,-.1693,.5041;6.0303,.1687,.2908;4.3618,-1.3483,1.4514;6.2733,1.3942,-.5857;2.9088,-1.792,1.6112;5.7949,1.2479,-2.026;2.0476,-.7107,2.241;6.139,2.4572,-2.8827;-.3528,-1.0016,.9571;-2.4755,-.9439,-.0152;-2.6354,.3868,-.4371;-1.9214,1.5182,.1841;-1.2497,2.4253,-.6337;-1.8974,1.6921,1.5665;-3.1688,-1.9317,-.6569;-.5476,3.4806,-.0748;-1.1959,2.753,2.1211;-.5141,3.6432,1.304;-3.9871,-1.5087,-1.6985;4.0801,-.4002,-.4527;4.0485,.718,.8922;6.5441,-.6962,-.1432;6.4975,.337,1.2667;4.7784,-1.1047,2.4347;4.9386,-2.2018,1.0827;7.346,1.6139,-.5924;5.7916,2.2671,-.1308;2.5028,-2.0741,.6368;2.8713,-2.6863,2.2378;6.2422,.3501,-2.4652;4.7133,1.0895,-2.0493;2.4252,-.447,3.2314;2.0241,.2085,1.6564;7.2176,2.6235,-2.923;5.6824,3.3674,-2.4883;5.7883,2.3348,-3.9088;-1.2622,2.2927,-1.7078;-2.4408,1.018,2.2163;-3.0794,-2.9721,-.375;-.0197,4.1736,-.7169;-1.1842,2.883,3.1953;.0401,4.4644,1.7398; 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 cpcm smd true smdsolvent "1-OCTANOL" 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-4.9176,-2.6649,-2.5662;.3293,-1.2141,2.547;-1.6786,-1.2734,1.0422;.1962,-.6741,-.0509;-3.4226,.6697,-1.461;-4.0953,-.2645,-2.0894;4.5592,-.1693,.5041;6.0303,.1687,.2908;4.3617,-1.3483,1.4514;6.2733,1.3942,-.5857;2.9088,-1.792,1.6112;5.7949,1.2479,-2.026;2.0476,-.7107,2.241;6.139,2.4572,-2.8827;-.3528,-1.0016,.9571;-2.4755,-.9439,-.0152;-2.6354,.3868,-.4371;-1.9214,1.5182,.1841;-1.2497,2.4253,-.6337;-1.8974,1.6921,1.5665;-3.1688,-1.9317,-.6569;-.5476,3.4806,-.0748;-1.1959,2.753,2.1211;-.5141,3.6432,1.304;-3.9871,-1.5087,-1.6985;4.0801,-.4002,-.4527;4.0485,.718,.8922;6.5441,-.6962,-.1432;6.4975,.337,1.2667;4.7784,-1.1047,2.4347;4.9386,-2.2018,1.0827;7.346,1.6139,-.5924;5.7916,2.2671,-.1308;2.5028,-2.0741,.6368;2.8713,-2.6863,2.2378;6.2422,.3501,-2.4652;4.7133,1.0895,-2.0493;2.4252,-.447,3.2314;2.0241,.2085,1.6564;7.2176,2.6235,-2.923;5.6824,3.3674,-2.4883;5.7883,2.3348,-3.9088;-1.2622,2.2927,-1.7078;-2.4408,1.018,2.2163;-3.0794,-2.9721,-.375;-.0197,4.1736,-.7169;-1.1842,2.883,3.1953;.0401,4.4644,1.7398; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S O N C H 2.3800 2.4900 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 2780 GEPOL Volume 2793.5001 GEPOL Surface-area 1552.0777 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1856.33263876 2417.61182550 -4273.94446426 -7347.43293708 3073.48847282 -0.02521294 -3706.93962996 1850.60699120 2.00309393 99.999953686341 99.999953686341 199.999907372683 -138.232678863663 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 1111 1112 1113 1114 1115 1116 1117 1118 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6749 -2421.1491 -525.6739 -523.7978 -393.9124 -393.8649 -284.4654 -282.7955 -282.6764 -281.6108 -280.9440 -280.5401 -280.3336 -279.9661 -279.9114 -279.8510 -279.8304 -279.8125 -279.4999 -279.2856 -279.1428 -279.1398 -279.1334 -279.1128 -278.9739 -260.9525 -219.6828 -199.7906 -199.5531 -199.5382 -164.0026 -163.8857 -163.7800 -34.6814 -32.1909 -31.9025 -28.0013 -27.0891 -26.4313 -25.7777 -25.4442 -25.0453 -24.3283 -23.8152 -23.6832 -23.3410 -22.4513 -21.7350 -21.4503 -20.4705 -19.8330 -19.5819 -19.4395 -19.1909 -18.6044 -18.1978 -18.0959 -17.5058 -17.0915 -16.8672 -16.2616 -15.9036 -15.8484 -15.6366 -15.5396 -15.1425 -15.1034 -15.0516 -14.9083 -14.4750 -14.4150 -14.2507 -14.1800 -13.9815 -13.6197 -13.5211 -13.4231 -12.9930 -12.7806 -12.7539 -12.4968 -12.4303 -12.3145 -12.0203 -11.9083 -11.7680 -11.7530 -11.6057 -11.4244 -11.2875 -10.9958 -10.9425 -10.8320 -10.7232 -10.6555 -10.4273 -9.7846 -9.7528 -9.3670 -9.1630 0.1991 0.4013 1.4225 1.8951 1.9642 2.5667 2.9610 3.3875 3.5161 3.7322 3.9041 3.9614 4.1170 4.2191 4.3469 4.4372 4.7058 4.7490 4.7980 5.0002 5.2293 5.2658 5.3414 5.3857 5.5241 5.5699 5.6470 5.7383 5.8546 5.8872 6.1395 6.2288 6.2691 6.3111 6.4617 6.6824 6.6849 6.9085 7.0363 7.1127 7.2214 7.3357 7.5316 7.6538 7.8118 7.8568 7.9166 8.0133 8.1059 8.1493 8.2740 8.4129 8.4881 8.6935 8.7577 8.8136 8.9622 8.9964 9.0949 9.1408 9.3129 9.3564 9.4743 9.5407 9.6245 9.7134 10.0383 10.1219 10.1742 10.2639 10.4157 10.5917 10.7759 10.8393 10.8760 10.9686 11.1100 11.1937 11.2352 11.3271 11.4331 11.5262 11.7231 11.8357 11.8599 11.8961 12.0161 12.0601 12.2006 12.2371 12.4184 12.5513 12.6618 12.7061 12.8297 12.9282 13.0921 13.1903 13.2247 13.3434 13.5056 13.5729 13.6492 13.7385 13.8069 13.9193 13.9711 14.0464 14.1042 14.1580 14.3356 14.4234 14.5348 14.6607 14.7206 14.7654 14.8883 14.8972 14.9752 15.1140 15.1675 15.2169 15.2937 15.3709 15.5756 15.6305 15.7150 15.7538 15.7896 15.8602 15.9811 16.0852 16.1404 16.2796 16.3631 16.4571 16.4935 16.5882 16.9124 16.9781 17.0595 17.1144 17.3477 17.4296 17.6122 17.7471 17.8070 17.8999 18.0536 18.2210 18.2822 18.4682 18.6201 18.8317 18.9611 19.0073 19.1272 19.1989 19.3546 19.6070 19.6657 19.9782 20.0204 20.0810 20.2676 20.3483 20.4842 20.7580 20.9089 20.9544 21.0432 21.1835 21.3584 21.4022 21.5636 21.8717 21.9308 21.9940 22.1751 22.3349 22.3915 22.6008 22.8450 22.8880 22.9964 23.1723 23.2323 23.4842 23.5504 23.6287 23.7276 24.0421 24.1367 24.2886 24.4945 24.6811 24.7748 24.9763 25.1826 25.3425 25.4487 25.6545 25.7511 25.9047 25.9386 26.1597 26.2525 26.5465 26.6487 26.8309 27.1356 27.1810 27.4415 27.5119 27.6790 27.8881 27.9351 28.1461 28.2639 28.4570 28.6100 28.6344 28.9034 28.9654 29.0316 29.3847 29.4847 29.5368 29.6326 29.7361 29.9418 30.1974 30.3119 30.5900 30.6228 30.7435 30.8841 31.1550 31.2097 31.3452 31.5583 31.7666 32.0126 32.1447 32.1660 32.4124 32.4884 32.5046 32.6708 32.7249 32.9068 32.9967 33.2206 33.2459 33.3933 33.5058 33.6945 33.8086 33.8739 33.9922 34.1761 34.4015 34.5004 34.6476 34.7827 34.8581 34.9922 35.0640 35.2329 35.3706 35.4747 35.5779 35.7521 35.7776 35.8360 36.2032 36.5351 36.6179 36.7642 36.9451 37.1239 37.2676 37.4797 37.6242 37.6631 37.7367 37.7722 37.9615 38.0189 38.1624 38.2035 38.3367 38.5895 38.8446 38.9706 39.0905 39.2296 39.3973 39.6063 39.6849 39.8453 39.9357 40.0875 40.3287 40.4014 40.6136 40.7690 41.0957 41.1634 41.3998 41.4153 41.4870 41.6179 41.7201 41.9046 42.0433 42.0878 42.3054 42.3558 42.4918 42.6003 42.7313 42.8511 42.8761 43.0251 43.1110 43.3428 43.4169 43.5214 43.5605 43.6308 43.6758 43.9333 44.0046 44.1704 44.2560 44.4296 44.5208 44.6630 44.8785 44.9182 45.1827 45.3124 45.4700 45.7730 45.8877 45.9815 46.1270 46.1868 46.4812 46.5253 46.7124 46.8211 46.9450 46.9581 47.3176 47.3548 47.3920 47.5478 47.6774 47.8016 47.9218 48.0175 48.2625 48.2947 48.4559 48.5722 48.7527 49.2060 49.2899 49.4553 49.6618 49.6777 49.9434 50.0053 50.3650 50.4574 50.6792 50.8680 51.1693 51.2641 51.4126 51.5274 51.6607 51.7421 51.8419 51.9703 52.3367 52.3506 52.5794 52.8942 52.9830 53.0375 53.3262 53.6303 53.8197 54.1446 54.4135 54.7769 54.9571 55.1154 55.3227 55.5843 56.0292 56.0708 56.4715 56.6979 57.1444 57.3378 57.6524 57.7238 58.0257 58.2015 58.4894 58.6046 58.8347 59.0978 59.2013 59.2782 59.5437 59.6644 59.8659 60.0721 60.1606 60.4015 60.5275 60.7267 60.8802 60.9479 61.0901 61.1766 61.5121 62.0641 62.1663 62.5223 62.6141 62.6426 62.7994 62.8114 63.2399 63.4058 63.5033 63.7060 63.8315 64.4230 64.6606 64.9325 65.0842 65.4188 65.4912 65.7566 65.8975 66.1910 66.2764 66.4111 66.7104 66.7553 67.2784 67.4217 67.7744 68.0643 68.4280 68.8097 69.0132 69.2606 69.4358 69.6359 70.0828 70.4289 70.5601 70.9479 71.1234 71.2712 71.5450 71.8251 72.1000 72.3449 72.3602 72.7481 72.8592 72.9934 73.1779 73.4030 73.7160 73.7590 74.0795 74.2076 74.5636 74.8570 74.9375 75.1656 75.4555 75.5437 75.6131 75.7140 76.0262 76.3705 76.4362 76.5727 76.7714 76.8834 77.0441 77.5346 77.6542 77.7071 77.7876 78.1392 78.3800 78.6614 78.9244 79.0754 79.3474 79.4825 79.5832 79.6375 79.8523 80.0175 80.1811 80.2867 80.4269 80.6114 80.9509 81.0439 81.2843 81.4559 81.5263 81.7714 81.8483 81.9510 82.0714 82.2143 82.4316 82.6229 82.9032 83.0607 83.1990 83.2430 83.4154 83.7627 83.9534 84.0905 84.1537 84.2021 84.4293 84.4983 84.5850 84.8214 84.8919 84.9806 85.1521 85.4167 85.4890 85.5367 85.6481 85.6838 85.8474 85.9845 86.2314 86.2588 86.3726 86.4691 86.6267 86.6664 86.7880 86.9220 87.1808 87.2336 87.3238 87.4459 87.6081 87.7792 88.0432 88.1254 88.2515 88.5066 88.5549 88.6686 88.6773 88.8450 88.9364 89.0422 89.2405 89.2942 89.3513 89.4798 89.5652 89.6674 89.7276 89.9929 90.0275 90.1656 90.2975 90.3844 90.4931 90.7691 90.8161 90.9360 90.9758 91.1427 91.3197 91.3637 91.5486 91.7501 91.8037 91.9221 91.9744 92.0743 92.1444 92.2425 92.5651 92.7266 92.8364 92.9708 93.0459 93.2028 93.2860 93.3856 93.5730 93.7185 93.9771 94.0174 94.1135 94.2393 94.3966 94.6176 94.7971 95.0658 95.1908 95.2530 95.3610 95.5386 95.5993 95.9655 96.0204 96.2689 96.3939 96.5293 96.9109 97.1200 97.3477 97.4920 97.5716 97.8554 98.0001 98.1334 98.3115 98.3848 98.6032 98.8614 98.9975 99.0887 99.3326 99.4537 99.5212 99.7632 99.9564 100.2289 100.3118 100.4027 100.4283 100.7007 100.8849 101.1558 101.3492 101.4983 101.5907 101.7025 101.7426 101.9412 102.0177 102.4148 102.5015 102.5775 102.7872 102.9671 103.1838 103.5496 103.5902 103.7226 103.8841 104.2691 104.3465 104.6448 104.8554 104.9800 105.2969 105.3151 105.3582 105.6496 105.7607 105.8606 106.0053 106.1238 106.3768 106.7147 106.9091 107.0553 107.2746 107.3193 107.4408 107.5834 107.7786 107.9011 108.0341 108.1601 108.2599 108.5390 108.7715 108.8648 108.8969 108.9575 109.1935 109.4210 109.4906 109.5816 109.6487 109.9122 110.0553 110.0931 110.1933 110.2896 110.4699 110.7530 110.8938 110.9884 111.2909 111.3715 111.4163 111.8245 111.9742 112.2054 112.2747 112.6175 112.6700 112.8733 113.1078 113.2750 113.4415 113.5120 113.8702 113.8764 113.9277 114.0101 114.1895 114.2918 114.3465 114.6269 114.6965 114.8092 115.0846 115.1866 115.4901 115.5127 115.6714 115.7802 115.9511 116.1415 116.2416 116.2872 116.6676 116.8510 116.9252 117.3220 117.3523 117.5987 117.6676 117.7820 118.0618 118.3294 118.3511 118.4622 118.5152 118.6971 118.8386 118.9946 119.1153 119.4609 119.5267 119.6224 119.9071 119.9823 120.0885 120.2949 120.5203 120.5517 120.6895 120.8382 120.9331 121.1447 121.2163 121.3709 121.6317 121.8065 121.8974 122.3305 122.3534 122.6246 122.8378 123.1278 123.2771 123.5604 123.7488 124.2786 124.9107 125.0123 125.3147 125.3878 125.7217 125.9852 126.4188 126.8159 127.1001 127.4059 127.5119 127.6206 128.1294 128.3605 128.4330 128.5578 128.9810 129.0631 129.4333 129.5846 129.6345 129.8795 130.3370 130.4639 130.5794 130.6682 130.8298 130.9145 130.9787 131.1261 131.3031 131.8539 131.9033 132.1304 132.3523 132.6396 132.9482 133.1087 133.2369 133.5502 134.0460 134.2635 134.4665 134.7457 134.9605 135.4460 135.5407 135.8313 136.0283 136.0901 136.2901 136.4882 136.5547 136.6031 136.7908 137.2198 137.4269 137.7965 138.1056 138.1556 138.6011 138.6772 138.8489 139.0101 139.4481 139.5296 139.7408 139.9372 140.0786 140.3343 140.4897 140.6885 141.0725 141.2758 141.9037 142.1010 142.4154 142.6016 142.9476 143.2337 143.4874 144.1310 144.3731 144.5440 144.7323 145.0084 145.1279 145.5712 145.7584 146.2354 146.4039 146.8613 147.0567 147.8232 148.0373 148.5786 148.6965 148.8605 149.1383 149.2509 149.3236 149.7468 150.0305 150.0485 150.4573 150.7967 150.9704 151.0419 151.5384 151.6396 151.9775 152.4296 152.7174 152.9228 152.9985 153.0119 153.2798 153.4176 153.5404 153.6686 154.2648 154.3205 154.4462 154.8842 154.9141 155.1519 155.4635 156.1194 156.1799 156.2684 156.4871 156.8150 157.0239 157.6290 157.8941 158.1171 158.3208 158.3784 158.4819 158.8718 159.2318 159.2617 159.3816 159.6961 160.0235 160.4745 160.6509 161.5915 161.7573 162.3667 163.0769 165.3023 165.9627 167.8222 168.6536 169.0926 170.5956 171.8589 173.6729 174.2544 176.8931 177.9418 179.4464 181.9788 184.4459 185.0379 185.8283 187.2566 187.7495 188.4928 189.0788 189.6475 191.5905 193.5622 195.5402 196.0715 198.1131 201.3359 202.6066 204.4102 221.2500 222.4366 223.0654 226.4815 228.8686 246.9092 258.0617 262.7752 294.5311 296.4939 311.8247 545.9209 619.7945 621.7302 626.3562 630.8640 631.6216 634.2294 634.6529 634.9309 636.4727 636.9197 637.3271 638.5973 639.6598 640.2048 641.8108 642.6053 643.5274 646.0229 659.2487 709.9723 880.8397 886.8609 1199.1093 1211.3049 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 46 47 Cl S O O 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 H H H H H -0.045907 -0.043229 -0.285107 -0.380495 -0.140653 -0.196220 -0.118389 -0.126980 -0.130613 -0.128608 -0.163844 -0.077322 -0.099811 -0.284040 0.345973 0.177484 0.240773 0.026075 -0.178659 -0.174878 -0.138370 -0.172280 -0.177916 -0.119335 0.152307 0.066535 0.061340 0.062961 0.070279 0.070145 0.074953 0.069373 0.058063 0.086557 0.085910 0.055075 0.057867 0.132739 0.113368 0.078031 0.077711 0.089409 0.142028 0.159346 0.154161 0.157452 0.157050 0.159692 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 Cl S O O 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 H H H H H 17.0459 16.0432 8.2851 8.3805 7.1407 7.1962 6.1184 6.1270 6.1306 6.1286 6.1638 6.0773 6.0998 6.2840 5.6540 5.8225 5.7592 5.9739 6.1787 6.1749 6.1384 6.1723 6.1779 6.1193 5.8477 0.9335 0.9387 0.9370 0.9297 0.9299 0.9250 0.9306 0.9419 0.9134 0.9141 0.9449 0.9421 0.8673 0.8866 0.9220 0.9223 0.9106 0.8580 0.8407 0.8458 0.8425 0.8429 0.8403 17.0000 16.0000 8.0000 8.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0459 -0.0432 -0.2851 -0.3805 -0.1407 -0.1962 -0.1184 -0.1270 -0.1306 -0.1286 -0.1638 -0.0773 -0.0998 -0.2840 0.3460 0.1775 0.2408 0.0261 -0.1787 -0.1749 -0.1384 -0.1723 -0.1779 -0.1193 0.1523 0.0665 0.0613 0.0630 0.0703 0.0701 0.0750 0.0694 0.0581 0.0866 0.0859 0.0551 0.0579 0.1327 0.1134 0.0780 0.0777 0.0894 0.1420 0.1593 0.1542 0.1575 0.1571 0.1597 1.2565 2.4210 2.1164 2.1147 2.9480 2.9395 3.8594 3.9012 3.9096 3.8954 3.9081 3.8550 3.8730 3.9511 4.2893 3.8695 3.8407 3.5635 3.9819 3.8712 4.0446 3.9416 3.9148 3.8794 4.2097 1.0076 1.0082 1.0102 1.0100 1.0091 1.0111 1.0100 1.0090 1.0183 1.0188 1.0066 1.0071 1.0077 1.0218 1.0013 1.0004 1.0036 1.0169 1.0067 1.0068 0.9928 0.9939 0.9889 1.2565 2.4210 2.1164 2.1147 2.9480 2.9395 3.8594 3.9012 3.9096 3.8954 3.9081 3.8550 3.8730 3.9511 4.2893 3.8695 3.8407 3.5635 3.9819 3.8712 4.0446 3.9416 3.9148 3.8794 4.2097 1.0076 1.0082 1.0102 1.0100 1.0091 1.0111 1.0100 1.0090 1.0183 1.0188 1.0066 1.0071 1.0077 1.0218 1.0013 1.0004 1.0036 1.0169 1.0067 1.0068 0.9928 0.9939 0.9889 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1378 0.9611 1.2605 1.0388 0.9156 1.9119 1.1694 1.5782 1.5942 0.9283 0.9300 1.0034 0.9997 0.9452 1.0144 1.0073 0.9352 1.0144 1.0031 0.9345 1.0060 1.0056 0.9253 1.0143 1.0019 0.9406 0.9988 1.0003 0.9712 0.9959 0.9978 0.9948 1.0005 1.2440 1.5324 0.9243 1.3697 1.2970 1.4682 0.9831 1.4366 0.9916 1.3255 0.9474 1.4011 0.9818 1.4091 0.9852 0.9782 0 24 1 12 1 14 2 14 2 15 3 14 4 5 4 16 5 24 6 7 6 8 6 25 6 26 7 9 7 27 7 28 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 37 12 38 13 39 13 40 13 41 15 16 15 20 16 17 17 18 17 19 18 21 18 42 19 22 19 43 20 24 20 44 21 23 21 45 22 23 22 46 23 47 -0.022843680 -1856.355482439739 77.31891 -75.33007 1.98884 19.70123 -20.31609 -0.61485 5.93874 -3.71820 2.22053 3.04373 7.73655