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:-6.057,-.3802,.6882;.9265,-2.9277,.5095;-1.3263,-1.9692,-.0643;-.1221,-.6077,1.2622;-3.014,1.0515,-1.1158;-4.2062,.8746,-.6007;5.0863,.4296,.6171;4.3353,1.5797,-.0522;4.2118,-.541,1.4058;3.4391,2.4006,.8701;3.0976,-1.1757,.5804;4.1691,3.063,2.0324;2.3322,-2.2,1.4012;3.2505,3.9299,2.8797;-.2267,-1.6276,.65;-2.2922,-1.019,-.2354;-2.0558,.1503,-.9758;-.7606,.4645,-1.6069;-.0742,-.4827,-2.3654;-.2263,1.7445,-1.463;-3.5316,-1.2268,.3017;1.1321,-.1521,-2.9655;.9795,2.069,-2.0628;1.6621,1.1215,-2.8151;-4.4627,-.2217,.0663;5.8528,.8285,1.2876;5.6297,-.1247,-.1546;3.7281,1.1868,-.8726;5.0681,2.2441,-.5216;3.7717,-.0311,2.2686;4.8492,-1.3292,1.8187;2.6284,1.7758,1.261;2.9474,3.1769,.2741;2.4135,-.4047,.2196;3.5162,-1.6606,-.3059;4.6302,2.3021,2.6687;4.9922,3.6717,1.644;2.9656,-3.0526,1.6521;1.9679,-1.7863,2.3422;2.8021,4.7311,2.2884;3.7874,4.3952,3.7079;2.4348,3.3423,3.3065;-.4874,-1.4712,-2.5201;-.751,2.4847,-.8726;-3.7635,-2.1102,.881;1.6533,-.8916,-3.559;1.3876,3.0641,-1.9421;2.6022,1.3775,-3.2864; 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 2520.4225293435 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 6.205e-06 Time for diagonalization 0.434 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.208 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:-6.057,-.3802,.6882;.9265,-2.9277,.5095;-1.3263,-1.9692,-.0643;-.1221,-.6077,1.2622;-3.014,1.0515,-1.1158;-4.2062,.8746,-.6007;5.0863,.4296,.6171;4.3353,1.5797,-.0522;4.2118,-.541,1.4058;3.4391,2.4006,.8701;3.0976,-1.1757,.5804;4.1691,3.063,2.0324;2.3322,-2.2,1.4012;3.2505,3.9299,2.8797;-.2267,-1.6276,.65;-2.2922,-1.019,-.2354;-2.0558,.1503,-.9758;-.7606,.4645,-1.6069;-.0742,-.4827,-2.3654;-.2263,1.7445,-1.463;-3.5316,-1.2268,.3017;1.1321,-.1521,-2.9655;.9795,2.069,-2.0628;1.6621,1.1215,-2.8151;-4.4627,-.2217,.0663;5.8528,.8285,1.2876;5.6297,-.1247,-.1546;3.7281,1.1868,-.8726;5.0681,2.2441,-.5216;3.7717,-.0311,2.2686;4.8492,-1.3292,1.8187;2.6284,1.7758,1.261;2.9474,3.1769,.2741;2.4135,-.4047,.2196;3.5162,-1.6606,-.3059;4.6302,2.3021,2.6687;4.9922,3.6717,1.644;2.9656,-3.0526,1.6521;1.9679,-1.7863,2.3422;2.8021,4.7311,2.2884;3.7874,4.3952,3.7079;2.4348,3.3423,3.3065;-.4874,-1.4712,-2.5201;-.751,2.4847,-.8726;-3.7635,-2.1102,.881;1.6533,-.8916,-3.559;1.3876,3.0641,-1.9421;2.6022,1.3775,-3.2864; 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:-6.057,-.3802,.6882;.9265,-2.9277,.5095;-1.3263,-1.9692,-.0643;-.1221,-.6077,1.2622;-3.014,1.0515,-1.1158;-4.2062,.8746,-.6007;5.0863,.4296,.6171;4.3353,1.5797,-.0522;4.2118,-.541,1.4058;3.4391,2.4006,.8701;3.0976,-1.1757,.5804;4.1691,3.063,2.0324;2.3322,-2.2,1.4012;3.2505,3.9299,2.8797;-.2267,-1.6276,.65;-2.2922,-1.019,-.2354;-2.0558,.1503,-.9758;-.7606,.4645,-1.6069;-.0742,-.4827,-2.3654;-.2263,1.7445,-1.463;-3.5316,-1.2268,.3017;1.1321,-.1521,-2.9655;.9795,2.069,-2.0628;1.6621,1.1215,-2.8151;-4.4627,-.2217,.0663;5.8528,.8285,1.2876;5.6297,-.1247,-.1546;3.7281,1.1868,-.8726;5.0681,2.2441,-.5216;3.7717,-.0311,2.2686;4.8492,-1.3292,1.8187;2.6284,1.7758,1.261;2.9474,3.1769,.2741;2.4135,-.4047,.2196;3.5162,-1.6606,-.3059;4.6302,2.3021,2.6687;4.9922,3.6717,1.644;2.9656,-3.0526,1.6521;1.9679,-1.7863,2.3422;2.8021,4.7311,2.2884;3.7874,4.3952,3.7079;2.4348,3.3423,3.3065;-.4874,-1.4712,-2.5201;-.751,2.4847,-.8726;-3.7635,-2.1102,.881;1.6533,-.8916,-3.559;1.3876,3.0641,-1.9421;2.6022,1.3775,-3.2864; 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 2809 GEPOL Volume 2802.7853 GEPOL Surface-area 1546.1320 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1856.33223477 2520.42252934 -4376.75476412 -7553.08002482 3176.32526071 -0.02489269 -3706.94242032 1850.61018555 2.00309198 100.000348599173 100.000348599173 200.000697198346 -138.237247670511 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 -2765.6796 -2421.1501 -525.6799 -523.8006 -393.9095 -393.8718 -284.4667 -282.7961 -282.6671 -281.6150 -280.9511 -280.5547 -280.3464 -279.9711 -279.9214 -279.8578 -279.8306 -279.8159 -279.4739 -279.2602 -279.1613 -279.1387 -279.0950 -279.0794 -278.9659 -260.9574 -219.6841 -199.7955 -199.5580 -199.5430 -164.0043 -163.8869 -163.7811 -34.6942 -32.1871 -31.9095 -28.0089 -27.0908 -26.4329 -25.7810 -25.4533 -25.0759 -24.2473 -23.8140 -23.6843 -23.3240 -22.4019 -21.7413 -21.4986 -20.4521 -19.9175 -19.5982 -19.5173 -19.1544 -18.7542 -18.2234 -17.6297 -17.5137 -17.1003 -16.8389 -16.2725 -16.0043 -15.9092 -15.7110 -15.5511 -15.1689 -15.1461 -15.0531 -14.8845 -14.5083 -14.4259 -14.2453 -14.0834 -14.0170 -13.5101 -13.4517 -13.4073 -12.9625 -12.7733 -12.7507 -12.4950 -12.4493 -12.3423 -12.1583 -12.0174 -11.7818 -11.6166 -11.5629 -11.4586 -11.3547 -11.0180 -10.8935 -10.7536 -10.7277 -10.5829 -10.4420 -9.7798 -9.7336 -9.3958 -9.1322 0.1912 0.3683 1.4351 1.8742 1.9610 2.5540 2.9637 3.1812 3.4573 3.6093 3.8438 3.9645 4.1936 4.3265 4.3583 4.4798 4.5159 4.6942 4.9504 5.1017 5.2414 5.3131 5.3830 5.5060 5.6209 5.7288 5.8154 5.9126 6.0311 6.0403 6.1722 6.1951 6.3809 6.5381 6.5788 6.7139 6.9785 7.1281 7.1845 7.2415 7.4403 7.5988 7.6142 7.6897 7.7897 7.9156 7.9374 8.0061 8.1344 8.2555 8.3401 8.4098 8.5101 8.6499 8.7541 8.8270 8.9576 9.1130 9.2270 9.2580 9.4182 9.5002 9.6751 9.7535 9.8197 10.0858 10.1667 10.3302 10.3814 10.4884 10.5690 10.6899 10.8424 10.9183 10.9477 11.0108 11.1894 11.2507 11.3647 11.4999 11.6343 11.6971 11.8261 12.0118 12.0766 12.1391 12.3076 12.3858 12.3927 12.6163 12.7142 12.7518 12.9262 13.0589 13.0896 13.3267 13.3945 13.4407 13.4799 13.5227 13.6947 13.7653 13.9322 13.9646 14.0612 14.1044 14.1494 14.3205 14.4328 14.4690 14.5068 14.5985 14.6868 14.7707 14.9089 14.9592 15.0752 15.1160 15.2437 15.3611 15.3980 15.4505 15.5424 15.6211 15.6978 15.8434 15.9400 15.9870 16.0856 16.1776 16.2597 16.3081 16.5112 16.5804 16.6774 16.7796 16.9726 17.0862 17.2118 17.2858 17.3763 17.4197 17.5419 17.8237 17.9344 17.9737 18.1226 18.2652 18.4782 18.6269 18.7894 18.9113 19.0325 19.1250 19.2653 19.3876 19.5744 19.7297 19.8371 20.0678 20.2139 20.3751 20.4531 20.5311 20.6289 20.7270 20.9661 21.0024 21.1593 21.3266 21.5391 21.5685 21.7337 21.8336 21.9615 22.1271 22.1412 22.3515 22.5828 22.6607 22.7679 23.0017 23.1245 23.1547 23.3683 23.5885 23.6974 23.8330 23.9746 24.1590 24.2620 24.3414 24.4163 24.5937 25.0085 25.1098 25.4391 25.5250 25.7542 25.8184 25.9110 26.1907 26.3448 26.5718 26.6638 26.7565 26.9422 26.9780 27.0747 27.2187 27.4260 27.5575 27.6758 27.6992 28.1716 28.2147 28.4764 28.5478 28.6327 28.8075 28.8571 29.0366 29.1522 29.2055 29.2986 29.6475 29.8369 29.9007 30.1734 30.2888 30.4165 30.5913 30.6601 30.9283 30.9598 30.9975 31.3080 31.4135 31.5392 31.7046 31.9042 31.9810 32.0875 32.2825 32.4262 32.4832 32.6736 32.7810 32.8052 33.0847 33.1097 33.2154 33.4328 33.5876 33.7667 33.7991 33.9444 34.1848 34.2553 34.5230 34.6387 34.8093 34.9331 34.9421 35.1036 35.3756 35.5315 35.5918 35.7619 35.8480 36.2517 36.3436 36.5496 36.6006 36.7423 36.9102 37.0757 37.1033 37.4033 37.5005 37.6007 37.6969 37.7682 37.8841 38.0746 38.1243 38.3468 38.4246 38.5822 38.6773 38.8399 39.0185 39.1007 39.1927 39.4194 39.4652 39.5738 39.6528 39.8891 40.1998 40.2791 40.6936 40.7881 40.8458 41.0448 41.2466 41.2951 41.4542 41.5207 41.7198 41.8958 42.0196 42.0999 42.1901 42.2660 42.4396 42.5585 42.6109 42.7632 42.7843 43.0058 43.1581 43.2684 43.4507 43.6805 43.7964 43.9092 44.0014 44.0787 44.1782 44.3268 44.3594 44.4717 44.6526 44.9397 44.9781 45.1609 45.1697 45.3015 45.4683 45.6051 45.9559 46.0837 46.0885 46.2150 46.3753 46.5026 46.5277 46.6513 46.9656 47.0536 47.2550 47.2879 47.4890 47.6607 47.8028 47.9281 48.0690 48.1769 48.2816 48.6156 48.6322 48.9359 48.9699 49.0982 49.4455 49.6310 49.6758 49.7910 49.9348 49.9739 50.3631 50.4573 50.6845 50.8885 51.0282 51.2419 51.3176 51.3927 51.5004 51.6758 51.6990 51.8472 51.9482 52.1127 52.4149 52.8258 52.8713 53.2300 53.4817 53.6781 53.7388 53.7498 53.8932 54.1392 54.4768 54.5944 55.0796 55.2749 55.3616 55.6216 55.6992 55.9591 56.2157 56.5795 56.8363 56.8993 57.3711 57.5357 57.7848 58.3140 58.4741 58.6853 58.8089 58.9006 59.1244 59.2329 59.4611 59.4833 59.7412 59.8015 59.9646 60.2240 60.2610 60.4950 60.6903 61.0537 61.1084 61.1431 61.4124 61.5875 61.8266 62.1736 62.4484 62.6164 62.6560 62.9500 63.3116 63.3710 63.5317 63.8419 64.0037 64.0855 64.4081 64.4723 64.9875 65.0510 65.3291 65.5526 65.6441 65.7766 66.1945 66.3651 66.6035 66.7317 67.2400 67.5224 67.5851 68.0535 68.2701 68.2985 68.6863 68.7702 69.0554 69.3170 69.6901 69.9761 70.5416 70.6756 71.0636 71.1997 71.4677 71.9211 72.0146 72.1084 72.4822 72.6734 72.7619 72.8991 73.0779 73.4778 73.7770 73.8277 74.0512 74.3315 74.4210 74.6858 74.9349 75.1226 75.3232 75.5434 75.6287 75.7407 75.8543 76.1273 76.5131 76.7669 76.9545 77.1208 77.2577 77.5098 77.6129 77.8129 77.9015 78.1964 78.5591 78.6991 78.8339 79.0233 79.2007 79.4229 79.5448 79.5986 79.7421 80.0853 80.1585 80.2513 80.4202 80.5482 80.7081 80.9966 81.0533 81.3007 81.5715 81.7061 81.7820 81.9858 82.1210 82.2554 82.4241 82.6078 82.8561 82.9301 83.0031 83.1692 83.4009 83.7180 83.7645 83.9237 84.0992 84.2440 84.3795 84.4763 84.6644 84.6984 84.7973 85.1412 85.2840 85.3872 85.4397 85.5837 85.7314 85.8802 85.9691 86.0016 86.1044 86.2797 86.3788 86.6861 86.7879 86.8148 86.8984 86.9184 87.2599 87.2994 87.5249 87.6419 87.8345 87.9352 88.0584 88.1232 88.1723 88.2379 88.4352 88.5895 88.6670 88.8291 88.8978 89.1046 89.1933 89.3240 89.5243 89.6151 89.8119 89.8582 89.9514 90.0701 90.1828 90.2907 90.3228 90.5649 90.6538 90.7292 90.8093 90.9357 91.0911 91.3359 91.4659 91.5726 91.5998 91.7631 91.9061 91.9652 92.1425 92.3276 92.3797 92.5929 92.8572 92.9642 93.0219 93.2564 93.3640 93.4207 93.5018 93.6205 93.9060 94.0499 94.2093 94.2958 94.4996 94.6772 94.8229 94.8990 94.9476 95.0495 95.3011 95.4464 95.5207 95.7806 95.9564 96.0497 96.1376 96.3518 96.5592 96.7399 96.9400 97.1370 97.3566 97.4695 97.5789 97.7368 97.9213 97.9998 98.1709 98.3140 98.4666 98.6263 98.8392 98.9023 99.1962 99.2068 99.3605 99.5758 99.7925 100.0374 100.2045 100.3176 100.5148 100.7050 100.7823 100.8928 101.3157 101.5460 101.5892 101.6020 101.7674 101.8856 102.0471 102.2313 102.5376 102.8091 102.8306 103.0768 103.1929 103.3568 103.6133 103.6962 104.0354 104.0462 104.2501 104.3299 104.7508 104.8089 104.8643 105.0426 105.2952 105.4288 105.5461 105.6871 105.8411 105.8960 106.0790 106.3710 106.4276 106.8464 106.9503 107.1701 107.3564 107.6560 107.7400 107.9611 108.2012 108.3024 108.5058 108.5702 108.8487 108.9356 109.0179 109.1958 109.4095 109.5471 109.6034 109.7092 109.7873 109.8927 110.1007 110.2073 110.2802 110.4362 110.7319 110.8094 111.1298 111.2016 111.3471 111.5483 111.7399 111.8030 111.9082 112.1564 112.3703 112.4692 112.5663 112.7648 112.8493 113.0920 113.3085 113.3640 113.5313 113.7939 113.8928 113.9373 114.0385 114.2285 114.4510 114.5624 114.7887 114.9703 115.0118 115.3508 115.4635 115.6091 115.8438 115.9983 116.0649 116.4176 116.4978 116.6022 116.8878 117.0812 117.1646 117.3713 117.6110 117.6892 117.8773 117.9728 118.0976 118.2588 118.5189 118.6374 118.7874 118.9574 119.0630 119.3283 119.4633 119.5568 119.6685 119.7930 119.9961 120.1260 120.2809 120.4496 120.6635 120.8076 120.8518 121.0836 121.1655 121.4043 121.5900 121.6397 121.8797 121.9300 122.1014 122.4524 122.6201 122.6911 122.9681 123.2545 123.6289 123.6701 123.7615 124.2337 124.2698 124.8956 125.1592 125.2927 125.7630 125.9412 126.2418 126.6531 126.8960 127.0268 127.2186 127.5198 127.7148 128.2003 128.2463 128.6297 129.0257 129.1456 129.2458 129.7053 129.8081 130.0188 130.1904 130.2949 130.6017 130.7818 130.9191 131.0038 131.1082 131.1814 131.2873 131.5063 131.8861 132.1835 132.3306 132.5952 132.7470 132.9675 133.1354 133.2547 133.3837 133.7390 133.9658 134.5722 134.8944 135.1253 135.6108 135.8461 136.0342 136.1359 136.2938 136.4342 136.5333 136.5951 136.9621 137.1320 137.2379 137.3744 137.6983 138.1269 138.2345 138.3711 138.4906 138.8115 139.0180 139.1373 139.2820 139.5821 139.6611 140.0033 140.1421 140.4606 140.6371 140.8044 141.3558 141.6139 141.8545 142.2002 142.6000 142.8084 142.9091 143.3352 143.7486 144.1252 144.4203 144.5427 144.8593 145.0887 145.2173 145.7362 146.2336 146.5194 146.9658 147.8005 147.9132 148.3780 148.7717 148.8634 148.9795 149.2096 149.4215 149.5288 149.7261 149.8041 150.0891 150.2001 150.6104 150.8245 150.9401 151.1237 151.6420 151.8960 152.4247 152.8410 152.8984 152.9974 153.1182 153.3243 153.5058 153.6313 153.6979 154.0226 154.1768 154.3621 154.6754 155.2971 155.3623 155.5546 155.9075 156.0556 156.2017 156.3301 156.9183 157.0577 157.2511 157.4215 158.1172 158.2218 158.4339 158.5609 159.0205 159.2887 159.5052 159.6604 159.9867 160.2922 160.7537 160.9104 161.3228 161.7231 161.9111 162.9829 163.3313 165.2140 165.9950 167.9178 168.7846 169.1223 170.4560 172.1993 173.7085 174.3130 176.9595 177.9167 179.3803 182.1061 184.4488 185.1616 185.8056 187.2754 187.9063 188.3312 189.1336 189.8052 191.6539 193.8116 195.4671 196.0494 198.1631 201.1542 202.5349 204.4475 221.2463 222.4375 223.0671 226.5052 228.8779 246.7635 258.1254 262.7353 294.5308 296.4950 311.8347 545.6941 619.8931 622.9084 626.4231 631.1135 632.0112 634.2149 634.5159 635.1306 636.6635 637.4741 637.6759 639.0513 641.5787 642.9450 643.6960 643.8854 645.9706 646.2153 659.6251 710.0962 880.8874 886.9234 1199.0874 1211.2476 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 -0.045406 -0.043716 -0.286572 -0.379406 -0.140671 -0.195978 -0.164001 -0.135365 -0.137625 -0.121524 -0.108138 -0.094145 -0.102626 -0.277582 0.346328 0.162304 0.256368 0.013916 -0.161282 -0.140515 -0.132331 -0.189645 -0.214780 -0.103098 0.151667 0.080771 0.077555 0.058067 0.079560 0.075268 0.084660 0.060500 0.072597 0.027910 0.084777 0.058215 0.060464 0.131752 0.116403 0.077514 0.089109 0.078949 0.156738 0.140270 0.153189 0.154506 0.161914 0.163137 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 16.0437 8.2866 8.3794 7.1407 7.1960 6.1640 6.1354 6.1376 6.1215 6.1081 6.0941 6.1026 6.2776 5.6537 5.8377 5.7436 5.9861 6.1613 6.1405 6.1323 6.1896 6.2148 6.1031 5.8483 0.9192 0.9224 0.9419 0.9204 0.9247 0.9153 0.9395 0.9274 0.9721 0.9152 0.9418 0.9395 0.8682 0.8836 0.9225 0.9109 0.9211 0.8433 0.8597 0.8468 0.8455 0.8381 0.8369 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 -0.0437 -0.2866 -0.3794 -0.1407 -0.1960 -0.1640 -0.1354 -0.1376 -0.1215 -0.1081 -0.0941 -0.1026 -0.2776 0.3463 0.1623 0.2564 0.0139 -0.1613 -0.1405 -0.1323 -0.1896 -0.2148 -0.1031 0.1517 0.0808 0.0776 0.0581 0.0796 0.0753 0.0847 0.0605 0.0726 0.0279 0.0848 0.0582 0.0605 0.1318 0.1164 0.0775 0.0891 0.0789 0.1567 0.1403 0.1532 0.1545 0.1619 0.1631 1.2573 2.4148 2.1164 2.1150 2.9506 2.9389 3.9028 3.8637 3.8996 3.8478 3.8580 3.8749 3.8831 3.9451 4.2812 3.8834 3.8178 3.5566 3.8590 3.9425 4.0463 3.9050 3.9096 3.8033 4.2090 1.0027 1.0094 1.0214 1.0105 1.0027 1.0098 1.0034 1.0087 1.0236 1.0186 1.0056 1.0080 1.0091 1.0242 1.0017 1.0043 1.0009 1.0075 1.0187 1.0065 0.9952 0.9913 0.9873 1.2573 2.4148 2.1164 2.1150 2.9506 2.9389 3.9028 3.8637 3.8996 3.8478 3.8580 3.8749 3.8831 3.9451 4.2812 3.8834 3.8178 3.5566 3.8590 3.9425 4.0463 3.9050 3.9096 3.8033 4.2090 1.0027 1.0094 1.0214 1.0105 1.0027 1.0098 1.0034 1.0087 1.0236 1.0186 1.0056 1.0080 1.0091 1.0242 1.0017 1.0043 1.0009 1.0075 1.0187 1.0065 0.9952 0.9913 0.9873 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -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 0.9520 1.2596 1.0456 0.9055 1.9139 1.1709 1.5769 1.5925 0.9245 0.9275 1.0140 1.0106 0.9194 1.0175 1.0097 0.9238 1.0136 1.0025 0.9364 1.0044 0.9995 0.9238 1.0113 0.9913 0.9359 1.0055 1.0033 0.9788 1.0027 0.9972 1.0011 0.9963 1.2469 1.5376 0.9229 1.2997 1.3653 1.4352 0.9942 1.4547 0.9849 1.3240 0.9470 1.3873 0.9962 1.3589 0.9912 0.9860 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 -0.027338561 -1856.359573332618 68.84352 -66.50778 2.33573 20.93967 -22.76612 -1.82645 9.79774 -9.47350 0.32424 2.98274 7.58152