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:-5.6613,.0086,1.2179;1.0434,-3.0724,.3487;-1.185,-1.9576,-.0188;.2701,-.6376,1.0718;-2.7511,1.1636,-.9658;-3.885,1.0914,-.3112;4.4393,.1569,1.4085;3.5244,1.2919,.9613;4.6249,-.9375,.3583;3.5685,2.4982,1.8919;3.3353,-1.5846,-.1416;2.58,3.5997,1.5161;2.6208,-2.3832,.9367;1.1271,3.2452,1.8014;.0165,-1.6748,.5364;-2.091,-.9398,-.1151;-1.8539,.1934,-.9117;-.6188,.3954,-1.692;-.0796,-.6214,-2.4793;.0135,1.6374,-1.6503;-3.2728,-1.0411,.5626;1.0839,-.3994,-3.2012;1.1795,1.8517,-2.3676;1.7201,.8324,-3.1405;-4.1455,.0304,.409;4.0585,-.2702,2.3419;5.4262,.5633,1.6525;2.4989,.9242,.8844;3.8061,1.6126,-.0488;5.2905,-1.7117,.7531;5.1419,-.5097,-.5058;4.584,2.9068,1.8887;3.3761,2.1772,2.9222;2.6679,-.8192,-.5437;3.5681,-2.2518,-.9747;2.8329,4.512,2.0635;2.6982,3.8448,.4553;3.2097,-3.2527,1.235;2.425,-1.807,1.8405;.4557,4.0516,1.5013;.9693,3.0701,2.8679;.8067,2.3454,1.2737;-.5753,-1.5805,-2.5571;-.4006,2.4322,-1.0433;-3.5024,-1.892,1.1898;1.4919,-1.1929,-3.8136;1.6688,2.8159,-2.3206;2.6328,.9995,-3.6978; 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 2567.7922226586 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 6.083e-06 Time for diagonalization 0.427 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.209 sec Total time needed 0.643 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:-5.6613,.0086,1.2179;1.0434,-3.0724,.3487;-1.185,-1.9576,-.0188;.2701,-.6376,1.0718;-2.7511,1.1636,-.9658;-3.885,1.0914,-.3112;4.4393,.1569,1.4085;3.5244,1.2919,.9613;4.6249,-.9375,.3583;3.5685,2.4982,1.8919;3.3353,-1.5846,-.1416;2.58,3.5997,1.5161;2.6208,-2.3832,.9367;1.1271,3.2452,1.8014;.0165,-1.6748,.5364;-2.091,-.9398,-.1151;-1.8539,.1934,-.9117;-.6188,.3954,-1.692;-.0796,-.6214,-2.4793;.0135,1.6374,-1.6503;-3.2728,-1.0411,.5626;1.0839,-.3994,-3.2012;1.1795,1.8517,-2.3676;1.7201,.8324,-3.1405;-4.1455,.0304,.409;4.0585,-.2702,2.3419;5.4262,.5633,1.6525;2.4989,.9242,.8844;3.8061,1.6126,-.0488;5.2905,-1.7117,.7531;5.1419,-.5097,-.5058;4.584,2.9068,1.8887;3.3761,2.1772,2.9222;2.6679,-.8192,-.5437;3.5681,-2.2518,-.9747;2.8329,4.512,2.0635;2.6982,3.8448,.4553;3.2097,-3.2527,1.235;2.425,-1.807,1.8405;.4557,4.0516,1.5013;.9693,3.0701,2.8679;.8067,2.3454,1.2737;-.5753,-1.5805,-2.5571;-.4006,2.4322,-1.0433;-3.5024,-1.892,1.1898;1.4919,-1.1929,-3.8136;1.6688,2.8159,-2.3206;2.6328,.9995,-3.6978; 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:-5.6613,.0086,1.2179;1.0434,-3.0724,.3487;-1.185,-1.9576,-.0188;.2701,-.6376,1.0718;-2.7511,1.1636,-.9658;-3.885,1.0914,-.3112;4.4393,.1569,1.4085;3.5244,1.2919,.9613;4.6249,-.9375,.3583;3.5685,2.4982,1.8919;3.3353,-1.5846,-.1416;2.58,3.5997,1.5161;2.6208,-2.3832,.9367;1.1271,3.2452,1.8014;.0165,-1.6748,.5364;-2.091,-.9398,-.1151;-1.8539,.1934,-.9117;-.6188,.3954,-1.692;-.0796,-.6214,-2.4793;.0135,1.6374,-1.6503;-3.2728,-1.0411,.5626;1.0839,-.3994,-3.2012;1.1795,1.8517,-2.3676;1.7201,.8324,-3.1405;-4.1455,.0304,.409;4.0585,-.2702,2.3419;5.4262,.5633,1.6525;2.4989,.9242,.8844;3.8061,1.6126,-.0488;5.2905,-1.7117,.7531;5.1419,-.5097,-.5058;4.584,2.9068,1.8887;3.3761,2.1772,2.9222;2.6679,-.8192,-.5437;3.5681,-2.2518,-.9747;2.8329,4.512,2.0635;2.6982,3.8448,.4553;3.2097,-3.2527,1.235;2.425,-1.807,1.8405;.4557,4.0516,1.5013;.9693,3.0701,2.8679;.8067,2.3454,1.2737;-.5753,-1.5805,-2.5571;-.4006,2.4322,-1.0433;-3.5024,-1.892,1.1898;1.4919,-1.1929,-3.8136;1.6688,2.8159,-2.3206;2.6328,.9995,-3.6978; 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 2784 GEPOL Volume 2787.5559 GEPOL Surface-area 1546.6951 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.33156440 2567.79222266 -4424.12378706 -7648.03805721 3223.91427015 -0.02415501 -3706.93740322 1850.60583883 2.00309397 99.999887137208 99.999887137208 199.999774274416 -138.235962524203 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 -2765.6806 -2421.1484 -525.6936 -523.7974 -393.9078 -393.8707 -284.4673 -282.7956 -282.6723 -281.6229 -280.9495 -280.5423 -280.3500 -279.9694 -279.9149 -279.8571 -279.8326 -279.8206 -279.4796 -279.2890 -279.1544 -279.1505 -279.0907 -279.0482 -278.9216 -260.9587 -219.6817 -199.7966 -199.5593 -199.5443 -164.0015 -163.8850 -163.7786 -34.7167 -32.1805 -31.9042 -28.0103 -27.0907 -26.4330 -25.7799 -25.4535 -25.0195 -24.3110 -23.8158 -23.6828 -23.2703 -22.3963 -21.7332 -21.4496 -20.5292 -19.9259 -19.6389 -19.5379 -19.1677 -18.3161 -18.2185 -18.0011 -17.5132 -17.1362 -16.8738 -16.2860 -15.9480 -15.8878 -15.5601 -15.4751 -15.3662 -15.1449 -14.9186 -14.8493 -14.5194 -14.4298 -14.2332 -14.1481 -14.0724 -13.7107 -13.4612 -13.2160 -13.0731 -12.7903 -12.7349 -12.4900 -12.4585 -12.1965 -12.0280 -11.9965 -11.7937 -11.7132 -11.6038 -11.3028 -11.2556 -11.0037 -10.9683 -10.8931 -10.7113 -10.5721 -10.4492 -9.7669 -9.7182 -9.3914 -9.1356 0.1926 0.3532 1.4175 1.8822 1.9498 2.5158 2.9619 3.2130 3.5633 3.6476 3.7950 4.0365 4.1798 4.2958 4.3650 4.4363 4.5242 4.8034 4.9804 5.1758 5.2117 5.2901 5.3086 5.4146 5.5447 5.6900 5.7960 5.9590 6.0780 6.1371 6.2154 6.3126 6.4307 6.5216 6.6605 6.6758 6.7940 7.0127 7.1103 7.3389 7.4189 7.4574 7.5238 7.7337 7.7931 8.0045 8.0735 8.1749 8.2123 8.2917 8.3831 8.4719 8.5704 8.7584 8.8205 8.9463 9.0709 9.1419 9.2348 9.2795 9.4435 9.6367 9.6869 9.8241 9.8780 10.0374 10.2043 10.2812 10.3150 10.3555 10.4911 10.6860 10.8886 11.0042 11.0796 11.1993 11.2689 11.3419 11.3986 11.4625 11.6630 11.7492 11.8611 11.9385 11.9868 12.1447 12.4092 12.4564 12.6075 12.7092 12.8289 12.8602 12.9774 13.1513 13.1887 13.3054 13.4744 13.5294 13.5651 13.6528 13.6943 13.8513 13.8870 13.9985 14.0580 14.1132 14.2419 14.3979 14.5119 14.5483 14.5957 14.6728 14.7670 14.8696 14.9699 15.0031 15.1098 15.2183 15.2732 15.2901 15.4016 15.4797 15.6279 15.7677 15.8018 15.9755 16.0073 16.1408 16.1746 16.2858 16.3537 16.4471 16.5931 16.6225 16.7185 16.8352 16.8942 17.0404 17.1733 17.3140 17.3843 17.4908 17.5508 17.7423 17.9008 18.0179 18.1654 18.2325 18.5807 18.6994 18.8202 19.0208 19.1148 19.2223 19.3350 19.5414 19.5815 19.7812 20.0312 20.0732 20.2979 20.3367 20.4577 20.6800 20.9051 21.0149 21.0981 21.1549 21.3495 21.4782 21.6505 21.7970 21.9532 22.0828 22.1236 22.1842 22.4441 22.5447 22.5698 22.7147 22.8151 23.1054 23.2401 23.3265 23.4519 23.6283 23.6909 23.8247 24.0341 24.2195 24.3089 24.4784 24.7827 24.9835 25.0610 25.2343 25.4146 25.6971 25.7655 26.1188 26.2002 26.3320 26.3968 26.5896 26.6873 26.7615 27.0161 27.1898 27.2486 27.4503 27.5351 27.7557 27.8195 27.9917 28.1166 28.3116 28.3766 28.7615 28.8659 28.9543 29.1695 29.2444 29.3851 29.4399 29.6848 29.7878 29.9536 30.1526 30.3650 30.4978 30.5534 30.7084 30.7264 30.9910 31.1151 31.1895 31.2270 31.3574 31.6167 31.8354 31.9614 32.1612 32.2640 32.4132 32.5949 32.6529 32.6817 32.8397 33.0580 33.0794 33.3445 33.3952 33.5894 33.6865 33.8399 33.9354 34.0733 34.1094 34.3601 34.4372 34.5242 34.6945 34.8075 34.9330 35.1531 35.3154 35.3869 35.4884 35.6333 35.8925 36.0196 36.0978 36.3561 36.6026 36.7634 36.8486 37.0602 37.2041 37.3177 37.3486 37.4801 37.5927 37.7426 37.9409 38.0572 38.2408 38.2935 38.3494 38.5910 38.6868 38.9142 39.0133 39.2183 39.2884 39.4396 39.5392 39.7702 39.8506 40.0108 40.2817 40.3510 40.6476 40.7276 40.8260 41.2049 41.3113 41.4668 41.5859 41.6579 41.7346 41.8511 42.0646 42.0867 42.2608 42.3353 42.4378 42.6451 42.7785 42.8001 42.9414 42.9901 43.1560 43.4149 43.5785 43.5983 43.7566 43.8689 44.0144 44.2003 44.3006 44.4280 44.4928 44.6008 44.7206 44.8658 44.9304 45.0796 45.0816 45.3161 45.4487 45.7182 45.8411 46.0079 46.1842 46.4462 46.5215 46.6727 46.8947 46.9072 47.0297 47.2193 47.3600 47.6133 47.6495 47.7897 47.9162 48.0986 48.2013 48.2935 48.3540 48.4366 48.7768 48.8526 49.0147 49.2317 49.3437 49.4541 49.7609 49.8312 49.9117 50.0094 50.1018 50.3423 50.5218 50.7757 50.8919 51.0559 51.2984 51.5258 51.6575 51.7770 51.8305 52.0107 52.1636 52.2586 52.4199 52.7292 53.0437 53.1456 53.1716 53.3031 53.4467 53.7613 53.9640 54.2695 54.4607 54.8356 55.0120 55.2231 55.5127 55.6496 55.7052 56.2492 56.4593 56.6531 56.8164 57.0523 57.1884 57.5467 57.9481 58.1822 58.5255 58.7743 58.9026 58.9868 59.1862 59.4148 59.4823 59.6626 59.8039 59.9251 59.9816 60.1843 60.4507 60.6606 61.0168 61.0660 61.1943 61.3789 61.4812 61.9593 62.1569 62.3662 62.5381 62.5919 62.6520 62.8278 63.1492 63.4237 63.4322 63.9482 64.2861 64.4123 64.6571 64.9204 65.0668 65.4165 65.5645 65.6432 65.8246 66.0265 66.3583 66.5767 66.6791 66.7801 67.0906 67.3518 67.5483 67.9921 68.0126 68.2387 68.6747 69.0446 69.2013 69.5189 69.5908 69.6996 70.2050 70.9469 71.1668 71.3925 71.4820 71.7044 72.0684 72.0794 72.3395 72.5845 72.8977 73.0059 73.2676 73.6309 73.8549 74.2055 74.3550 74.4509 74.6237 74.8082 75.2243 75.2395 75.3342 75.4625 75.5264 75.8508 75.9650 76.1478 76.3454 76.5858 76.8674 76.9506 77.2191 77.2958 77.5462 77.6032 77.9152 77.9699 78.0933 78.3646 78.7484 79.0069 79.2373 79.3931 79.4172 79.9026 79.9982 80.1578 80.3237 80.3560 80.6324 80.7121 80.9016 81.0947 81.3298 81.4206 81.6182 81.6820 81.7378 81.9976 82.2447 82.3579 82.6174 82.8185 83.0435 83.0860 83.2888 83.4455 83.4911 83.6454 83.7861 84.0154 84.0315 84.2767 84.3986 84.5073 84.5618 84.7882 84.9393 85.1012 85.2566 85.4358 85.4592 85.5668 85.8793 85.9989 86.0840 86.1567 86.2805 86.4105 86.4499 86.5450 86.7661 86.8520 86.9166 87.0832 87.2581 87.4028 87.4223 87.6490 87.7261 87.9511 88.0960 88.1349 88.2845 88.4575 88.5705 88.6613 88.7270 88.7989 88.8192 89.0960 89.3054 89.3299 89.4546 89.5653 89.7247 89.7343 89.8930 90.0896 90.2403 90.3655 90.4060 90.5526 90.6376 90.8464 90.9029 90.9965 91.0562 91.1953 91.3848 91.6046 91.7023 91.7283 91.9419 92.0678 92.1765 92.3361 92.4310 92.5108 92.7264 92.8699 93.0024 93.0617 93.1360 93.3865 93.4348 93.4680 93.5654 93.6201 93.7494 94.0218 94.3615 94.5150 94.7977 94.9035 94.9189 95.0677 95.2201 95.4927 95.6142 95.7680 95.8733 96.1190 96.3619 96.4425 96.6042 96.9049 96.9945 97.0694 97.2480 97.4631 97.6278 97.8088 97.9124 97.9709 98.3244 98.4560 98.5381 98.8229 98.9105 99.0978 99.2814 99.5380 99.6293 99.8363 100.0402 100.2408 100.4686 100.5314 100.6800 100.8631 100.9815 101.1690 101.5133 101.5517 101.6141 101.7881 101.9779 102.0536 102.2051 102.3441 102.4689 102.6362 102.7631 102.8817 103.1897 103.2875 103.5268 103.7862 103.9247 104.0227 104.0679 104.1788 104.5788 104.6863 104.8164 105.0108 105.2785 105.3213 105.5333 105.6201 105.8864 106.0374 106.1151 106.2885 106.2932 106.4942 106.8657 106.9676 107.2289 107.4799 107.6248 107.7973 107.8974 108.0437 108.2880 108.5211 108.8095 108.8579 109.0654 109.0973 109.2474 109.3061 109.5760 109.7599 110.0120 110.1164 110.1314 110.3495 110.3741 110.5727 110.7014 110.8619 111.0814 111.2964 111.4151 111.5475 111.6998 111.8641 112.1150 112.4176 112.4323 112.5268 112.6230 112.8117 112.9897 113.0890 113.2395 113.3470 113.4821 113.6921 113.9272 114.1196 114.2307 114.4300 114.5908 114.6659 114.8220 114.9385 115.2298 115.3696 115.5740 115.8387 115.8880 116.0530 116.2319 116.3681 116.5220 116.6866 116.9116 117.0529 117.1934 117.3259 117.5904 117.6751 117.8271 118.0393 118.1585 118.2154 118.6149 118.6693 118.7378 118.9860 119.0895 119.2945 119.3401 119.5214 119.5729 119.7532 119.8731 119.9711 120.1199 120.2584 120.3943 120.6724 120.8532 121.0020 121.1292 121.2312 121.4260 121.5794 121.7560 122.1369 122.3295 122.3741 122.5566 122.7079 123.0143 123.0799 123.4216 123.5339 123.8708 124.2058 124.3933 124.7037 124.9864 125.2044 125.8257 125.9730 126.2247 126.6995 126.9793 127.1794 127.2332 127.5610 127.6330 128.0155 128.2551 128.4154 129.0714 129.1960 129.5004 129.6196 129.7576 129.9548 130.0724 130.4516 130.5706 130.6936 130.8136 130.9464 131.0604 131.3663 131.6456 131.8356 131.8922 132.0308 132.2181 132.3252 132.4803 132.7456 132.9812 133.2605 133.3112 133.3666 133.8778 134.4926 134.5572 134.8626 135.1173 135.2909 135.5361 135.9277 136.1070 136.2315 136.4359 136.5236 136.8060 137.0563 137.1275 137.4418 137.5044 138.2219 138.2852 138.6241 138.8593 139.1267 139.2340 139.5179 139.6541 140.0500 140.1450 140.3882 140.4257 140.5117 140.8289 141.1736 141.3907 141.4397 142.1206 142.1622 142.4519 142.5827 142.8649 143.3617 143.5513 144.1962 144.2832 144.4691 144.4812 144.8378 145.1626 145.6525 145.7446 146.5125 146.7765 147.8526 147.8763 148.2709 148.4937 148.9226 149.2271 149.3185 149.4415 149.5142 149.7300 149.9645 150.1469 150.4566 150.7247 150.9443 151.0368 151.1577 151.7683 151.8028 152.0399 152.3849 152.5968 152.8512 152.9967 153.0609 153.1692 153.4751 153.6843 154.2150 154.2876 154.3673 154.5266 154.7112 155.1927 155.3974 155.6597 156.0190 156.2182 156.4383 156.8678 156.9519 157.4352 157.6552 158.1638 158.2973 158.4006 158.8387 159.2759 159.4439 159.5590 159.6857 160.1441 160.5056 160.7228 160.8867 161.1478 161.7560 162.0930 163.0278 163.8651 165.3335 165.9903 167.9503 168.8074 169.2334 170.4939 172.1759 173.6666 174.3416 177.3473 178.0169 179.5709 182.0786 184.4796 185.2155 185.8892 187.3832 188.0000 188.3141 189.1623 190.0112 191.6824 194.1566 195.6035 196.7523 198.1205 201.2122 202.5035 204.5246 221.2482 222.4375 223.0653 226.5080 228.8846 246.7644 258.3232 262.8372 294.5325 296.4972 311.8372 545.8910 619.8974 622.8526 626.3675 631.6071 631.9237 634.3941 634.8354 635.1421 636.6960 637.5825 638.0381 639.1569 641.1156 641.4746 643.0273 643.6835 644.4726 647.1987 659.5690 710.1389 881.0044 887.1947 1200.4432 1211.2568 -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 -0.045421 -0.045312 -0.286438 -0.382816 -0.139489 -0.197758 -0.145640 -0.060257 -0.154297 -0.119200 -0.095691 -0.103484 -0.107354 -0.258520 0.359610 0.168192 0.246259 0.054533 -0.167572 -0.193898 -0.131556 -0.196772 -0.195267 -0.089985 0.153992 0.069319 0.071051 0.018495 0.059411 0.080057 0.078012 0.068453 0.058023 0.008604 0.098064 0.073219 0.050822 0.133579 0.116008 0.093303 0.085915 0.046020 0.156121 0.147191 0.152142 0.155041 0.156904 0.158386 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 17.0454 16.0453 8.2864 8.3828 7.1395 7.1978 6.1456 6.0603 6.1543 6.1192 6.0957 6.1035 6.1074 6.2585 5.6404 5.8318 5.7537 5.9455 6.1676 6.1939 6.1316 6.1968 6.1953 6.0900 5.8460 0.9307 0.9289 0.9815 0.9406 0.9199 0.9220 0.9315 0.9420 0.9914 0.9019 0.9268 0.9492 0.8664 0.8840 0.9067 0.9141 0.9540 0.8439 0.8528 0.8479 0.8450 0.8431 0.8416 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 -0.0454 -0.0453 -0.2864 -0.3828 -0.1395 -0.1978 -0.1456 -0.0603 -0.1543 -0.1192 -0.0957 -0.1035 -0.1074 -0.2585 0.3596 0.1682 0.2463 0.0545 -0.1676 -0.1939 -0.1316 -0.1968 -0.1953 -0.0900 0.1540 0.0693 0.0711 0.0185 0.0594 0.0801 0.0780 0.0685 0.0580 0.0086 0.0981 0.0732 0.0508 0.1336 0.1160 0.0933 0.0859 0.0460 0.1561 0.1472 0.1521 0.1550 0.1569 0.1584 1.2575 2.4143 2.1192 2.1114 2.9465 2.9415 3.8994 3.8373 3.9452 3.9072 3.8882 3.8892 3.8756 3.9329 4.2608 3.8889 3.8086 3.5293 3.8607 3.9248 4.0484 3.8947 3.9092 3.8185 4.2068 1.0041 1.0129 1.0063 1.0112 1.0087 1.0083 1.0108 1.0073 1.0237 1.0158 1.0067 1.0103 1.0084 1.0249 1.0042 1.0057 1.0004 1.0087 1.0151 1.0071 0.9951 0.9944 0.9884 1.2575 2.4143 2.1192 2.1114 2.9465 2.9415 3.8994 3.8373 3.9452 3.9072 3.8882 3.8892 3.8756 3.9329 4.2608 3.8889 3.8086 3.5293 3.8607 3.9248 4.0484 3.8947 3.9092 3.8185 4.2068 1.0041 1.0129 1.0063 1.0112 1.0087 1.0083 1.0108 1.0073 1.0237 1.0158 1.0067 1.0103 1.0084 1.0249 1.0042 1.0057 1.0004 1.0087 1.0151 1.0071 0.9951 0.9944 0.9884 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.1372 0.9486 1.2562 1.0476 0.9088 1.8980 1.1713 1.5726 1.5939 0.9219 0.9409 1.0104 1.0087 0.9419 0.9884 1.0010 0.9341 1.0147 1.0078 0.9359 1.0066 1.0118 0.9289 1.0074 0.9968 0.9354 1.0075 1.0071 0.9737 0.9982 0.9998 0.9974 0.9914 1.2427 1.5402 0.9230 1.3033 1.3471 1.4295 0.9927 1.4432 0.9953 1.3226 0.9465 1.3835 0.9981 1.3802 0.9949 0.9890 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 -0.028807895 -1856.360372291655 59.55150 -57.35103 2.20047 16.88668 -18.85241 -1.96573 5.43959 -5.34662 0.09297 2.95208 7.50359