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:-6.1386,-.895,1.0811;.3653,2.1317,-.9941;-1.8681,1.0139,-.7957;-.1995,-.2505,.0399;-3.5584,-2.1176,-1.4547;-4.596,-2.0223,-.6562;4.2071,1.5028,2.6657;5.6379,1.0623,2.9461;3.8084,1.3311,1.2065;6.0445,1.2388,4.4029;2.3755,1.769,.9267;7.4751,.8015,4.6898;2.0386,1.5927,-.5425;7.869,.9934,6.1465;-.5722,.7578,-.4833;-2.7712,-.0095,-.7313;-2.6544,-1.1557,-1.5345;-1.5324,-1.3698,-2.4666;-.8477,-2.5835,-2.44;-1.1409,-.3807,-3.3672;-3.8449,.11,.1052;.2264,-2.7974,-3.2887;-.0666,-.601,-4.217;.6226,-1.8048,-4.1756;-4.743,-.9502,.0804;4.0872,2.5524,2.954;3.52,.9325,3.2997;6.3234,1.6291,2.3067;5.7561,.0116,2.6599;3.9294,.2824,.9163;4.4926,1.9048,.5726;5.3585,.6724,5.0422;5.9246,2.2898,4.6878;1.6859,1.1894,1.5446;2.2466,2.8176,1.2063;7.5953,-.2502,4.4128;8.1612,1.3634,4.0488;2.6891,2.212,-1.1633;2.1688,.5625,-.8757;7.2215,.4184,6.8113;7.7928,2.0416,6.4421;8.8955,.6746,6.3317;-1.1433,-3.3537,-1.7398;-1.6818,.555,-3.4259;-3.98,.9704,.7459;.7589,-3.7384,-3.2531;.2305,.1717,-4.9134;1.4661,-1.9697,-4.8329; 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 2341.2035647996 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 7.306e-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:-6.1386,-.895,1.0811;.3653,2.1317,-.9941;-1.8681,1.0139,-.7957;-.1995,-.2505,.0399;-3.5584,-2.1176,-1.4547;-4.596,-2.0223,-.6562;4.2071,1.5028,2.6657;5.6379,1.0623,2.9461;3.8084,1.3311,1.2065;6.0445,1.2388,4.4029;2.3755,1.769,.9267;7.4751,.8015,4.6898;2.0386,1.5927,-.5425;7.869,.9934,6.1465;-.5722,.7578,-.4833;-2.7712,-.0095,-.7313;-2.6544,-1.1557,-1.5345;-1.5324,-1.3698,-2.4666;-.8477,-2.5835,-2.44;-1.1409,-.3807,-3.3672;-3.8449,.11,.1052;.2264,-2.7974,-3.2887;-.0666,-.601,-4.217;.6226,-1.8048,-4.1756;-4.743,-.9502,.0804;4.0872,2.5524,2.954;3.52,.9325,3.2997;6.3234,1.6291,2.3067;5.7561,.0116,2.6599;3.9294,.2824,.9163;4.4926,1.9048,.5726;5.3585,.6724,5.0422;5.9246,2.2898,4.6878;1.6859,1.1894,1.5446;2.2466,2.8176,1.2063;7.5953,-.2502,4.4128;8.1612,1.3634,4.0488;2.6891,2.212,-1.1633;2.1688,.5625,-.8757;7.2215,.4184,6.8113;7.7928,2.0416,6.4421;8.8955,.6746,6.3317;-1.1433,-3.3537,-1.7398;-1.6818,.555,-3.4259;-3.98,.9704,.7459;.7589,-3.7384,-3.2531;.2305,.1717,-4.9134;1.4661,-1.9697,-4.8329; 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 "WATER" 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:-6.1386,-.895,1.0811;.3653,2.1317,-.9941;-1.8681,1.0139,-.7957;-.1995,-.2505,.0399;-3.5584,-2.1176,-1.4547;-4.596,-2.0223,-.6562;4.2071,1.5028,2.6657;5.6379,1.0623,2.9461;3.8084,1.3311,1.2065;6.0445,1.2388,4.4029;2.3755,1.769,.9267;7.4751,.8015,4.6898;2.0386,1.5927,-.5425;7.869,.9934,6.1465;-.5722,.7578,-.4833;-2.7712,-.0095,-.7313;-2.6544,-1.1557,-1.5345;-1.5324,-1.3698,-2.4666;-.8477,-2.5835,-2.44;-1.1409,-.3807,-3.3672;-3.8449,.11,.1052;.2264,-2.7974,-3.2887;-.0666,-.601,-4.217;.6226,-1.8048,-4.1756;-4.743,-.9502,.0804;4.0872,2.5524,2.954;3.52,.9325,3.2997;6.3234,1.6291,2.3067;5.7561,.0116,2.6599;3.9294,.2824,.9163;4.4926,1.9048,.5726;5.3585,.6724,5.0422;5.9246,2.2898,4.6878;1.6859,1.1894,1.5446;2.2466,2.8176,1.2063;7.5953,-.2502,4.4128;8.1612,1.3634,4.0488;2.6891,2.212,-1.1633;2.1688,.5625,-.8757;7.2215,.4184,6.8113;7.7928,2.0416,6.4421;8.8955,.6746,6.3317;-1.1433,-3.3537,-1.7398;-1.6818,.555,-3.4259;-3.98,.9704,.7459;.7589,-3.7384,-3.2531;.2305,.1717,-4.9134;1.4661,-1.9697,-4.8329; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S O N C H 2.3800 2.4900 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2789 GEPOL Volume 2778.9940 GEPOL Surface-area 1551.9470 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.32396048 2341.20356480 -4197.52752528 -7194.62008229 2997.09255701 -0.02972797 -3706.94110762 1850.61714714 2.00308374 99.999927298731 99.999927298731 199.999854597461 -138.233780213481 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 -2765.6987 -2421.1524 -525.6755 -523.8370 -393.9475 -393.9032 -284.5024 -282.8103 -282.6813 -281.6307 -280.9319 -280.5169 -280.3359 -279.9534 -279.9148 -279.8381 -279.8161 -279.8046 -279.4481 -279.2208 -279.1320 -279.1222 -279.0806 -279.0665 -278.9505 -260.9770 -219.6873 -199.8150 -199.5776 -199.5627 -164.0069 -163.8895 -163.7850 -34.6585 -32.2037 -31.9187 -28.0278 -27.0968 -26.4386 -25.7646 -25.4506 -25.0287 -24.3444 -23.8196 -23.6804 -23.4008 -22.4388 -21.7452 -21.4603 -20.3631 -19.8116 -19.5772 -19.2733 -19.0310 -18.5244 -18.3973 -18.1864 -17.4989 -17.1044 -16.8907 -16.2639 -16.0070 -15.9089 -15.7227 -15.5533 -15.3404 -15.1423 -14.9102 -14.6333 -14.4241 -14.4014 -14.2432 -14.2214 -14.0095 -13.5499 -13.4499 -13.1960 -13.1010 -12.8050 -12.7824 -12.5077 -12.2780 -12.2388 -12.0453 -11.9932 -11.7910 -11.6322 -11.5155 -11.4729 -11.1494 -11.0881 -10.9994 -10.9392 -10.8515 -10.5833 -10.4449 -9.8192 -9.7649 -9.3650 -9.1711 0.1831 0.3907 1.4065 1.8888 1.9566 2.6148 2.9590 3.3945 3.5421 3.7737 4.0051 4.0961 4.1382 4.1999 4.3647 4.4869 4.5864 4.7663 4.8470 4.8601 5.2179 5.3383 5.4020 5.4883 5.5633 5.6767 5.7643 5.7917 5.8776 6.0443 6.1364 6.2355 6.2625 6.3267 6.3776 6.6052 6.7014 6.7552 6.9082 7.0485 7.2877 7.4119 7.4589 7.5734 7.8056 7.8543 7.9673 7.9986 8.0999 8.1571 8.2684 8.4219 8.4849 8.5585 8.7923 8.8475 9.0693 9.0747 9.1532 9.2977 9.3666 9.4904 9.5315 9.7358 9.9466 10.1310 10.2133 10.2454 10.4456 10.4588 10.5685 10.6438 10.6556 10.6902 10.7915 10.9373 10.9856 11.1716 11.2327 11.2395 11.2879 11.4441 11.5633 11.5988 11.6700 11.8204 11.8687 11.9145 12.0676 12.1651 12.3100 12.3384 12.5173 12.6524 12.8418 12.9039 12.9568 13.1531 13.2659 13.3086 13.4196 13.5264 13.5691 13.6359 13.7666 13.8401 13.9681 14.0304 14.1516 14.1973 14.3538 14.4643 14.5699 14.6402 14.6633 14.8340 14.8770 14.9188 14.9877 15.1011 15.1916 15.2265 15.4195 15.4561 15.6171 15.7048 15.7420 15.8717 15.8937 16.0171 16.0923 16.1317 16.2529 16.3733 16.4690 16.5337 16.6265 16.6899 16.8407 16.8791 16.9242 17.0650 17.1916 17.4064 17.4744 17.8306 17.9076 18.0680 18.1615 18.3022 18.4778 18.6430 18.6933 18.8020 18.9535 19.1274 19.2061 19.2298 19.3133 19.5829 19.7940 20.0090 20.0840 20.2646 20.3806 20.4567 20.5481 20.7770 20.9581 21.0177 21.2003 21.2739 21.3063 21.4924 21.5710 21.7445 21.7864 21.9894 22.0224 22.1455 22.2512 22.4423 22.4862 22.8619 23.0758 23.1971 23.3295 23.4139 23.6586 23.7610 23.7759 23.9911 24.0756 24.1342 24.2879 24.3140 24.4734 24.7933 24.9198 25.0703 25.0965 25.2983 25.4849 25.8011 26.0291 26.1306 26.1913 26.5720 26.6872 26.7227 27.0127 27.1883 27.3121 27.4106 27.6292 27.7903 27.9998 28.1931 28.3721 28.4560 28.6366 28.7358 28.9666 29.1123 29.3545 29.3943 29.5508 29.6201 29.7714 29.8968 30.0311 30.2735 30.3861 30.4062 30.5748 30.6777 30.8515 30.9361 31.0408 31.0996 31.4321 31.5883 31.8874 32.0493 32.0735 32.1630 32.2294 32.4156 32.4557 32.6589 32.8074 32.8873 33.0301 33.0689 33.3209 33.4665 33.4958 33.6413 34.0463 34.0902 34.3093 34.3612 34.5084 34.5417 34.6775 34.7618 34.8214 35.0248 35.0587 35.3815 35.5449 35.7798 35.8337 35.9669 36.0132 36.1203 36.3720 36.4982 36.5816 36.6922 36.9293 37.1964 37.2307 37.4671 37.5936 37.6767 37.7915 37.9258 38.0192 38.1274 38.3080 38.4456 38.6625 38.7904 38.9924 39.0695 39.2562 39.3740 39.4016 39.5451 39.6328 39.7271 39.8978 40.2084 40.3312 40.4728 40.5375 40.6921 40.9428 41.1427 41.2150 41.3850 41.4817 41.6804 41.8064 41.8922 41.9585 42.0651 42.1013 42.2216 42.5412 42.6991 42.7372 42.8141 42.8311 43.0878 43.1438 43.3585 43.4899 43.5497 43.5945 43.6454 43.7044 43.8386 43.9786 44.1244 44.2805 44.6023 44.6527 44.7540 44.9535 45.0425 45.0827 45.2021 45.2796 45.5866 45.7613 45.8867 46.0090 46.1123 46.4114 46.6257 46.6588 46.7510 46.8464 46.8886 47.0415 47.3208 47.3779 47.5725 47.6484 47.9300 48.0427 48.2639 48.3651 48.5826 48.6424 48.9122 49.0793 49.2112 49.2558 49.4466 49.5736 49.6623 49.9247 50.0862 50.1641 50.3893 50.5700 50.9070 51.1954 51.3083 51.4243 51.5170 51.5917 51.7221 51.7479 51.8513 51.9678 52.3001 52.6315 52.8807 52.9388 53.2661 53.4873 53.7518 53.9738 54.3822 54.7341 54.8407 55.1843 55.1950 55.5646 55.9641 56.0509 56.2642 56.4832 56.8913 57.1820 57.4142 57.6686 57.9828 58.1411 58.3543 58.5728 58.8180 59.1502 59.1728 59.2886 59.5132 59.7513 59.7812 59.9336 60.1211 60.1732 60.5891 60.8498 60.9730 61.0699 61.1550 61.4358 61.5487 61.6384 62.0572 62.1413 62.3693 62.5730 62.6789 62.8088 62.9923 63.2212 63.3833 63.4517 63.7026 63.9024 64.4151 64.8774 64.9668 65.1303 65.4163 65.5212 65.7438 65.9789 66.2447 66.4950 66.5369 66.7128 67.2235 67.3305 67.4372 67.8139 68.1233 68.5430 69.0075 69.2488 69.4363 69.6211 69.7435 70.9118 71.1068 71.2389 71.4998 71.6134 71.7189 71.7608 72.0092 72.0822 72.2663 72.5692 72.7693 72.8954 72.9524 73.1611 73.5670 73.7867 74.0924 74.3802 74.6472 74.8777 74.8925 75.0181 75.1814 75.4650 75.6186 75.6779 75.8933 76.2579 76.4461 76.6610 76.9100 76.9552 77.1937 77.4551 77.6609 77.7694 77.9434 78.4079 78.6124 78.8897 79.0414 79.3642 79.4708 79.5176 79.6351 79.6817 79.8825 79.9853 80.1029 80.2117 80.2986 80.4144 80.5834 80.6920 81.1962 81.2296 81.3787 81.4964 81.6466 81.7610 81.9885 82.0557 82.2609 82.4527 82.6004 82.9299 83.0349 83.1305 83.4591 83.6948 83.9422 84.0387 84.1352 84.1997 84.2586 84.4202 84.5345 84.7317 84.8121 84.9627 85.2200 85.3935 85.5403 85.5745 85.6597 85.7438 85.9382 85.9908 86.1714 86.2800 86.4310 86.4831 86.5265 86.6611 86.7603 86.8303 87.1079 87.3372 87.4011 87.6644 87.7481 87.8223 87.9784 88.1396 88.3301 88.4211 88.5520 88.6175 88.7428 88.8887 89.0082 89.0580 89.1634 89.2563 89.3876 89.4219 89.6096 89.8477 89.9785 90.0155 90.0742 90.2166 90.3482 90.4424 90.4571 90.5854 90.6792 90.7385 90.7941 90.9900 91.0354 91.0905 91.1730 91.3688 91.4120 91.6186 91.7956 91.8594 92.0276 92.0847 92.3627 92.4772 92.6625 92.7297 92.8264 92.8698 93.0569 93.2217 93.3689 93.5727 93.6264 93.9352 93.9999 94.0781 94.1645 94.4742 94.5135 94.6766 94.8170 95.2218 95.4134 95.5455 95.9051 95.9990 96.2626 96.4847 96.5086 96.9363 97.1032 97.2892 97.4055 97.4790 97.5704 97.9070 98.0342 98.2180 98.3175 98.3900 98.5288 98.8999 98.9621 99.2099 99.2317 99.3797 99.5230 99.6405 99.9485 100.1004 100.3216 100.3757 100.4628 100.6307 100.7954 100.8418 100.9499 101.4268 101.5921 101.7228 101.8120 101.8547 101.9631 102.2954 102.3765 102.4491 102.7243 103.0409 103.2270 103.5198 103.7014 103.7827 103.9251 104.0875 104.3104 104.7521 104.8010 104.8216 104.9097 105.2928 105.3035 105.5898 105.6662 105.7729 105.8882 106.0415 106.1533 106.6119 106.7486 106.7961 106.9338 107.2654 107.3298 107.6140 107.6993 107.8723 107.9534 108.0025 108.2686 108.5500 108.6949 108.8858 109.1037 109.1160 109.3367 109.4720 109.6249 109.7304 109.9665 110.1022 110.1547 110.1880 110.4377 110.4754 110.7260 110.8333 111.0203 111.2570 111.3533 111.6404 111.7353 112.0973 112.2606 112.3465 112.4354 112.5808 112.6663 112.8039 112.9824 113.1152 113.2719 113.4494 113.6147 113.8141 113.8970 113.9407 114.0381 114.1513 114.2950 114.3496 114.5024 114.5436 114.8277 114.9609 115.1805 115.2574 115.7257 115.8070 115.9954 116.0911 116.1573 116.2582 116.5321 116.6799 116.7270 116.9378 117.3249 117.3653 117.6911 117.7565 118.0144 118.1987 118.3045 118.3525 118.5075 118.7078 118.8447 118.9059 119.0595 119.3916 119.4923 119.7159 119.8350 119.9606 120.1313 120.1813 120.4535 120.5597 120.6510 120.8250 120.8754 120.9933 121.1573 121.2697 121.3994 121.4445 121.5004 121.7343 122.0871 122.3337 122.4424 122.6281 122.7758 123.2053 123.6279 123.8536 123.8796 124.1003 124.2889 124.9541 125.3866 125.7282 126.1510 126.5211 126.7948 126.8317 127.0744 127.4375 127.5508 127.7150 127.7539 128.1510 128.2831 128.6018 128.9887 129.3748 129.6204 129.8713 130.4488 130.4859 130.5866 130.5987 130.7593 130.9539 130.9714 131.0917 131.2816 131.8250 131.9215 132.2207 132.3878 132.6705 133.0019 133.1053 133.2763 133.7117 133.8892 134.2487 134.5034 134.8731 134.9600 135.8384 135.9662 135.9857 136.2431 136.4780 136.6117 136.6882 136.7856 136.8274 137.1141 137.1693 137.3798 138.0817 138.3304 138.6526 138.7645 138.8552 138.9868 139.0234 139.3985 139.5326 139.7144 140.0557 140.2979 140.6543 140.7111 141.0090 141.1793 141.3089 141.6253 141.7691 142.1002 142.6116 142.8658 143.4280 143.6411 143.9336 144.2301 144.4157 144.5935 144.9829 145.5867 146.2807 146.3801 146.4766 147.3890 147.7957 148.0275 148.5934 148.6224 148.8822 148.9642 149.0339 149.1229 149.3391 149.5295 149.8568 150.0269 150.0520 150.6710 150.8612 150.9251 151.2760 151.5351 151.6445 151.8381 151.8742 151.9540 152.5750 152.9327 153.0128 153.2355 153.3110 153.5637 154.0131 154.0607 154.1481 154.1928 154.2362 154.6308 154.7952 155.0064 155.1567 155.4450 155.6848 156.1360 156.7583 157.1367 157.7746 158.1150 158.2810 158.3544 158.3802 159.0791 159.1961 159.2031 159.3944 159.8456 159.9112 160.1351 160.4191 160.5987 161.6116 161.6604 161.8024 162.8722 165.2630 165.9059 167.7925 168.6576 169.0232 170.4901 171.8701 173.5417 174.1276 176.8045 177.7553 179.2189 181.8285 184.3710 185.0029 185.8229 187.2037 187.7225 188.4733 189.0063 189.7861 191.6136 193.4426 195.4272 196.0022 198.0147 201.3136 202.6408 204.4129 221.2247 222.4177 223.0434 226.4724 228.8617 246.8944 257.8495 262.7400 294.5081 296.4803 311.8224 546.3285 619.7489 621.7957 626.2889 630.5424 631.6082 633.8794 634.3217 634.8724 635.7657 636.4627 637.3384 637.7890 639.4547 640.6510 641.3491 641.5030 643.5625 646.0941 659.2635 710.0911 880.7596 886.8120 1198.9633 1211.2638 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 -0.045702 -0.039933 -0.283310 -0.401939 -0.145789 -0.202586 -0.111199 -0.107598 -0.117151 -0.110194 -0.147826 -0.078303 -0.095730 -0.283181 0.354924 0.184391 0.246005 0.020365 -0.186612 -0.178174 -0.134114 -0.173718 -0.179243 -0.122435 0.152929 0.059836 0.060423 0.056899 0.057615 0.068222 0.066612 0.055745 0.055660 0.081425 0.073673 0.053996 0.053585 0.132057 0.115716 0.077596 0.077450 0.090176 0.143653 0.163751 0.156933 0.161027 0.160393 0.163679 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 17.0457 16.0399 8.2833 8.4019 7.1458 7.2026 6.1112 6.1076 6.1172 6.1102 6.1478 6.0783 6.0957 6.2832 5.6451 5.8156 5.7540 5.9796 6.1866 6.1782 6.1341 6.1737 6.1792 6.1224 5.8471 0.9402 0.9396 0.9431 0.9424 0.9318 0.9334 0.9443 0.9443 0.9186 0.9263 0.9460 0.9464 0.8679 0.8843 0.9224 0.9226 0.9098 0.8563 0.8362 0.8431 0.8390 0.8396 0.8363 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 -0.0457 -0.0399 -0.2833 -0.4019 -0.1458 -0.2026 -0.1112 -0.1076 -0.1172 -0.1102 -0.1478 -0.0783 -0.0957 -0.2832 0.3549 0.1844 0.2460 0.0204 -0.1866 -0.1782 -0.1341 -0.1737 -0.1792 -0.1224 0.1529 0.0598 0.0604 0.0569 0.0576 0.0682 0.0666 0.0557 0.0557 0.0814 0.0737 0.0540 0.0536 0.1321 0.1157 0.0776 0.0774 0.0902 0.1437 0.1638 0.1569 0.1610 0.1604 0.1637 1.2574 2.4254 2.1185 2.0923 2.9472 2.9371 3.8890 3.8885 3.8981 3.8815 3.8903 3.8758 3.8748 3.9474 4.2810 3.8645 3.8366 3.5633 3.9767 3.8673 4.0411 3.9350 3.9085 3.8741 4.2118 1.0099 1.0100 1.0102 1.0102 1.0101 1.0095 1.0086 1.0084 1.0211 1.0184 1.0071 1.0072 1.0087 1.0211 1.0006 1.0006 1.0042 1.0166 1.0057 1.0056 0.9915 0.9928 0.9875 1.2574 2.4254 2.1185 2.0923 2.9472 2.9371 3.8890 3.8885 3.8981 3.8815 3.8903 3.8758 3.8748 3.9474 4.2810 3.8645 3.8366 3.5633 3.9767 3.8673 4.0411 3.9350 3.9085 3.8741 4.2118 1.0099 1.0100 1.0102 1.0102 1.0101 1.0095 1.0086 1.0084 1.0211 1.0184 1.0071 1.0072 1.0087 1.0211 1.0006 1.0006 1.0042 1.0166 1.0057 1.0056 0.9915 0.9928 0.9875 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1415 0.9563 1.2665 1.0422 0.9128 1.8903 1.1678 1.5746 1.5952 0.9375 0.9342 1.0091 1.0085 0.9389 1.0082 1.0078 0.9264 1.0102 1.0080 0.9439 1.0034 1.0043 0.9290 1.0172 0.9984 0.9402 1.0037 1.0039 0.9750 0.9964 0.9958 0.9960 1.0010 1.2430 1.5326 0.9261 1.3665 1.2952 1.4661 0.9860 1.4350 0.9923 1.3244 0.9464 1.3992 0.9824 1.4060 0.9860 0.9787 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 -0.021725896 -1856.345686376701 86.66185 -84.37285 2.28900 14.26104 -12.01179 2.24925 30.35643 -30.47271 -0.11628 3.21126 8.16237