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:-5.6582,-.1534,1.0489;1.0647,-3.0442,.4145;-1.0691,-1.8729,-.1322;.2139,-.6616,1.2632;-2.7489,1.2099,-1.0138;-3.8988,1.0604,-.4017;3.6693,.2038,1.0656;3.8506,1.5367,.3488;3.7373,-.9811,.1101;3.576,2.7582,1.2209;3.7392,-2.3396,.7967;2.1005,2.9636,1.5459;2.4608,-2.7047,1.5351;1.852,4.1968,2.4002;.0441,-1.6469,.6074;-2.0091,-.8805,-.2039;-1.7994,.2883,-.9512;-.5526,.5836,-1.68;-.0409,1.881,-1.6484;.1049,-.3899,-2.4324;-3.2009,-1.0572,.4402;1.1123,2.1964,-2.348;1.2597,-.0686,-3.1309;1.7681,1.2216,-3.0881;-4.1224,-.0285,.2902;2.7173,.1948,1.5993;4.4449,.1003,1.8323;3.1943,1.5719,-.5277;4.8717,1.5885,-.0408;4.6497,-.904,-.4885;2.9088,-.9246,-.6056;3.9469,3.6528,.7109;4.1501,2.683,2.1515;3.9645,-3.1231,.0693;4.5478,-2.3713,1.5333;1.5399,3.0508,.61;1.698,2.0841,2.0559;2.5979,-3.6324,2.0908;2.1542,-1.9467,2.2548;2.3657,4.1251,3.3609;.7897,4.3345,2.6063;2.2097,5.1012,1.9042;-.5388,2.644,-1.0652;-.2934,-1.3924,-2.5111;-3.4062,-1.9394,1.0309;1.5034,3.2043,-2.3084;1.7571,-.8301,-3.7164;2.6713,1.468,-3.6304; 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 2557.3772558473 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 6.278e-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 0.207 sec Total time needed 0.645 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:-5.6582,-.1534,1.0489;1.0647,-3.0442,.4145;-1.0691,-1.8729,-.1322;.2139,-.6616,1.2632;-2.7489,1.2099,-1.0138;-3.8988,1.0604,-.4017;3.6693,.2038,1.0656;3.8506,1.5367,.3488;3.7373,-.9811,.1101;3.576,2.7582,1.2209;3.7392,-2.3396,.7967;2.1005,2.9636,1.5459;2.4608,-2.7047,1.5351;1.852,4.1968,2.4002;.0441,-1.6469,.6074;-2.0091,-.8805,-.2039;-1.7994,.2883,-.9512;-.5526,.5836,-1.68;-.0409,1.881,-1.6484;.1049,-.3899,-2.4324;-3.2009,-1.0572,.4402;1.1123,2.1964,-2.348;1.2597,-.0686,-3.1309;1.7681,1.2216,-3.0881;-4.1224,-.0285,.2902;2.7173,.1948,1.5993;4.4449,.1003,1.8323;3.1943,1.5719,-.5277;4.8717,1.5885,-.0408;4.6497,-.904,-.4885;2.9088,-.9246,-.6056;3.9469,3.6528,.7109;4.1501,2.683,2.1515;3.9645,-3.1231,.0693;4.5478,-2.3713,1.5333;1.5399,3.0508,.61;1.698,2.0841,2.0559;2.5979,-3.6324,2.0908;2.1542,-1.9467,2.2548;2.3657,4.1251,3.3609;.7897,4.3345,2.6063;2.2097,5.1012,1.9042;-.5388,2.644,-1.0652;-.2934,-1.3924,-2.5111;-3.4062,-1.9394,1.0309;1.5034,3.2043,-2.3084;1.7571,-.8301,-3.7164;2.6713,1.468,-3.6304; 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:-5.6582,-.1534,1.0489;1.0647,-3.0442,.4145;-1.0691,-1.8729,-.1322;.2139,-.6616,1.2632;-2.7489,1.2099,-1.0138;-3.8988,1.0604,-.4017;3.6693,.2038,1.0656;3.8506,1.5367,.3488;3.7373,-.9811,.1101;3.576,2.7582,1.2209;3.7392,-2.3396,.7967;2.1005,2.9636,1.5459;2.4608,-2.7047,1.5351;1.852,4.1968,2.4002;.0441,-1.6469,.6074;-2.0091,-.8805,-.2039;-1.7994,.2883,-.9512;-.5526,.5836,-1.68;-.0409,1.881,-1.6484;.1049,-.3899,-2.4324;-3.2009,-1.0572,.4402;1.1123,2.1964,-2.348;1.2597,-.0686,-3.1309;1.7681,1.2216,-3.0881;-4.1224,-.0285,.2902;2.7173,.1948,1.5993;4.4449,.1003,1.8323;3.1943,1.5719,-.5277;4.8717,1.5885,-.0408;4.6497,-.904,-.4885;2.9088,-.9246,-.6056;3.9469,3.6528,.7109;4.1501,2.683,2.1515;3.9645,-3.1231,.0693;4.5478,-2.3713,1.5333;1.5399,3.0508,.61;1.698,2.0841,2.0559;2.5979,-3.6324,2.0908;2.1542,-1.9467,2.2548;2.3657,4.1251,3.3609;.7897,4.3345,2.6063;2.2097,5.1012,1.9042;-.5388,2.644,-1.0652;-.2934,-1.3924,-2.5111;-3.4062,-1.9394,1.0309;1.5034,3.2043,-2.3084;1.7571,-.8301,-3.7164;2.6713,1.468,-3.6304; 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 2800 GEPOL Volume 2786.4809 GEPOL Surface-area 1539.9205 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.32097957 2557.37725585 -4413.69823542 -7627.40345002 3213.70521460 -0.02867655 -3706.93630521 1850.61532564 2.00308311 100.000042142476 100.000042142476 200.000084284952 -138.238808712407 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 -2765.7028 -2421.1376 -525.6493 -523.8298 -393.9341 -393.9186 -284.5164 -282.8043 -282.6567 -281.6445 -280.9404 -280.5141 -280.3611 -279.9566 -279.9101 -279.8346 -279.8079 -279.7948 -279.4804 -279.1955 -279.0914 -279.0655 -279.0504 -279.0416 -278.9391 -260.9810 -219.6729 -199.8189 -199.5816 -199.5667 -163.9901 -163.8766 -163.7708 -34.6622 -32.1850 -31.9184 -28.0308 -27.0939 -26.4358 -25.7579 -25.4516 -24.9879 -24.2652 -23.8081 -23.6712 -23.3464 -22.4181 -21.7522 -21.4787 -20.4906 -19.8709 -19.5729 -19.3586 -19.1498 -18.3485 -18.2224 -18.0961 -17.5203 -17.1193 -16.9088 -16.2787 -15.9834 -15.8402 -15.5652 -15.5251 -15.2462 -15.1374 -14.9773 -14.8680 -14.5211 -14.4192 -14.2311 -14.1711 -13.9858 -13.7219 -13.4347 -13.1754 -12.8434 -12.7875 -12.7511 -12.6538 -12.4672 -12.2139 -12.0128 -11.8628 -11.7529 -11.6262 -11.5642 -11.4674 -11.1864 -11.0934 -11.0194 -10.8552 -10.6271 -10.5855 -10.4717 -9.8183 -9.6927 -9.3961 -9.1101 0.1506 0.3355 1.4701 1.8601 1.9950 2.6186 2.9573 3.2236 3.4768 3.7417 3.7960 4.0157 4.0725 4.3912 4.4335 4.4894 4.6209 4.8533 5.0210 5.1358 5.1550 5.3070 5.3586 5.4844 5.6477 5.7437 5.8349 5.9774 6.1243 6.1386 6.2367 6.3533 6.3663 6.4863 6.6163 6.7129 6.9194 7.0022 7.0958 7.1558 7.4133 7.4985 7.5570 7.6877 7.8832 7.8866 8.0323 8.1652 8.2512 8.2937 8.4639 8.6027 8.6111 8.7481 8.8797 8.9365 9.1093 9.1984 9.2664 9.3448 9.4452 9.5209 9.6808 9.7635 9.9804 10.0366 10.2053 10.2402 10.3664 10.5253 10.6699 10.7240 10.8378 10.9219 11.0125 11.1223 11.2287 11.2851 11.3788 11.5197 11.6284 11.6658 11.8630 11.9424 11.9890 12.0627 12.1681 12.3365 12.5171 12.6176 12.7217 12.7521 12.8909 13.1119 13.2056 13.3086 13.3888 13.5527 13.5617 13.6718 13.7316 13.9226 13.9501 14.0003 14.0346 14.2277 14.2696 14.3749 14.4568 14.5383 14.5918 14.7614 14.8090 14.8933 14.9368 15.0355 15.1367 15.2144 15.2413 15.4002 15.4659 15.5257 15.6084 15.7090 15.7567 15.9410 15.9977 16.1564 16.2030 16.2244 16.3906 16.5098 16.5918 16.6490 16.7505 16.8146 16.8720 17.0141 17.0978 17.2640 17.4686 17.6449 17.7643 17.9222 18.0261 18.0733 18.1630 18.2476 18.4882 18.5809 18.8329 19.0472 19.1391 19.2498 19.3138 19.3745 19.5088 19.6412 19.7260 20.1916 20.2581 20.4293 20.5937 20.6758 20.7935 20.9071 20.9848 21.1778 21.3424 21.4710 21.5157 21.6272 21.8074 21.9313 21.9801 22.2818 22.3624 22.5157 22.5254 22.6836 22.8599 23.1367 23.1835 23.2247 23.4897 23.6829 23.8452 23.8677 24.1263 24.2365 24.3681 24.5824 24.6052 24.7063 24.8834 25.0188 25.1743 25.3011 25.4288 25.5625 25.8413 26.1498 26.2383 26.3092 26.4014 26.6294 26.7233 26.9683 27.0926 27.1361 27.3145 27.4808 27.6860 27.7620 28.0579 28.1317 28.1913 28.4665 28.5974 28.8554 28.9823 29.0049 29.2815 29.3269 29.5713 29.7358 29.9318 30.0587 30.1900 30.3525 30.4937 30.5576 30.6537 30.8916 30.9992 31.1502 31.2989 31.5027 31.5558 31.7529 31.8417 31.9833 32.0728 32.2569 32.4627 32.6183 32.7612 32.9228 33.0606 33.1627 33.2421 33.3891 33.4272 33.4721 33.7143 33.8328 33.9242 34.0366 34.2325 34.3303 34.5393 34.6098 34.7149 35.1183 35.2044 35.2898 35.4214 35.5484 35.6902 35.7662 35.9945 36.1040 36.3630 36.5016 36.5730 36.7102 36.9823 37.0541 37.1022 37.2200 37.4705 37.6187 37.8156 37.8398 37.9721 38.2365 38.3602 38.5876 38.7217 38.7744 38.8526 39.0568 39.2438 39.3317 39.4059 39.4883 39.6303 39.9573 40.0451 40.1317 40.3231 40.5595 40.6558 40.8937 40.9783 41.1841 41.3022 41.4258 41.5725 41.6882 41.8865 42.0370 42.1554 42.2254 42.3243 42.3651 42.5420 42.6230 42.6818 42.8532 43.0311 43.1221 43.2836 43.4549 43.5388 43.6496 43.7893 43.9498 43.9992 44.2480 44.3495 44.3668 44.6240 44.7212 44.8764 44.9073 45.1044 45.3504 45.5892 45.7134 45.8436 45.9012 46.1257 46.2284 46.2835 46.5153 46.6637 46.7405 46.8130 47.0134 47.0889 47.1918 47.2717 47.5936 47.6586 47.7902 47.8799 47.9650 48.2153 48.2774 48.4364 48.5090 48.7451 48.9958 49.1363 49.3163 49.3845 49.5494 49.6747 49.8039 49.9015 49.9887 50.2855 50.5450 50.6023 50.8119 51.2246 51.3588 51.4154 51.5696 51.6632 51.7848 51.8829 52.2133 52.3134 52.5295 52.7572 52.9378 53.0021 53.2119 53.4022 53.6875 53.9410 53.9997 54.2376 54.6145 54.8077 54.8537 55.2119 55.2934 55.6225 55.8201 55.9819 56.3669 56.5513 56.8453 57.1855 57.3661 57.6330 57.8269 58.0776 58.4350 58.7403 58.8957 59.0551 59.2194 59.2430 59.3660 59.7205 59.7824 59.8713 60.0065 60.0697 60.4145 60.4837 60.6258 60.8859 61.1662 61.6321 61.6812 61.8033 62.1862 62.2464 62.4636 62.5551 62.6767 62.9439 63.2066 63.2802 63.4377 63.8223 64.0384 64.4926 64.6441 64.8861 65.1103 65.2922 65.4216 65.6604 65.7303 65.9578 66.1104 66.4625 66.5500 66.6546 66.7340 66.7674 67.7000 68.0532 68.1424 68.4999 68.7791 69.0085 69.1284 69.3254 69.5043 69.8563 70.2368 70.6484 70.9755 71.1789 71.6122 71.6467 71.9102 71.9336 72.1905 72.4462 72.6936 72.8619 73.2902 73.3930 73.8443 74.1351 74.2264 74.4355 74.4916 74.6019 74.8238 75.1561 75.2874 75.3098 75.6196 75.7284 75.8596 75.9145 76.3200 76.5366 76.6287 76.9410 77.1180 77.2934 77.4665 77.6555 77.7265 77.8763 77.9620 78.0845 78.6031 78.8296 79.1996 79.5468 79.6234 79.8234 79.9446 80.1110 80.1785 80.2862 80.4477 80.7332 80.9238 81.2984 81.3641 81.5273 81.5566 81.6928 81.7732 81.9487 82.2178 82.3716 82.6468 82.6640 82.7624 82.8802 83.1675 83.3442 83.4104 83.4638 83.7024 83.9891 84.0494 84.1522 84.2111 84.3883 84.6833 84.7665 84.9189 85.1081 85.1821 85.2941 85.3430 85.5369 85.6745 85.6867 85.7926 86.0634 86.1267 86.1918 86.2957 86.5427 86.6463 86.7150 86.8814 86.8968 87.0507 87.3197 87.4615 87.6268 87.6982 87.8015 87.9071 87.9794 88.0454 88.0637 88.2411 88.4851 88.5329 88.7142 88.9188 89.0376 89.1224 89.2709 89.4415 89.6179 89.7373 89.8309 89.9347 90.1573 90.3014 90.3782 90.5218 90.6733 90.7484 90.8262 90.9436 91.0475 91.1177 91.1962 91.2639 91.5180 91.6182 91.7676 91.9817 92.0200 92.1592 92.2528 92.2851 92.5542 92.6354 92.7407 92.8950 92.9997 93.2221 93.3204 93.3962 93.5222 93.6265 93.8239 93.9676 94.1046 94.1508 94.4180 94.5150 94.7748 94.8161 95.0111 95.0487 95.0869 95.2899 95.3140 95.6401 95.7993 95.9397 96.2444 96.4436 96.5802 97.0620 97.1984 97.2240 97.4248 97.6225 97.7063 97.7557 97.8689 98.2302 98.3727 98.5124 98.6608 98.9377 98.9883 99.1553 99.2786 99.5732 99.6575 99.9608 100.1877 100.3453 100.4554 100.5351 100.7647 100.8645 101.1730 101.3679 101.4291 101.6484 101.7750 101.8861 101.9409 101.9905 102.2816 102.5658 102.6359 102.8394 102.9485 103.0914 103.3241 103.4692 103.6129 103.7822 104.2029 104.3099 104.4164 104.6005 104.8413 104.9587 104.9941 105.1705 105.2673 105.4373 105.7318 105.8926 106.0455 106.2733 106.4739 106.6025 106.9219 107.0829 107.1427 107.4319 107.5128 107.5774 107.8432 107.9463 108.1381 108.2475 108.4227 108.7833 109.0369 109.1677 109.3006 109.4482 109.6524 109.6724 109.8682 109.9544 110.0672 110.1312 110.2934 110.3676 110.4541 110.7225 110.8995 111.0127 111.2993 111.5851 111.6046 111.8438 112.0089 112.1166 112.2866 112.4315 112.5844 112.6189 112.8647 113.0662 113.1890 113.4356 113.5184 113.7072 113.8291 113.9036 113.9494 114.0682 114.2650 114.4099 114.6645 114.7524 114.9020 114.9947 115.2374 115.4823 115.5629 115.7348 116.0088 116.0614 116.2780 116.3775 116.5810 116.7557 116.9301 117.0125 117.1297 117.4122 117.4759 117.6129 117.9155 118.0623 118.2398 118.3886 118.6054 118.7229 118.7523 118.9225 119.1338 119.2942 119.4078 119.6280 119.7637 119.8277 119.9236 120.0624 120.1744 120.4471 120.6284 120.7599 120.9237 120.9861 121.2897 121.4853 121.6227 121.6784 121.8335 122.0139 122.1621 122.5568 122.6223 122.7291 123.0091 123.0254 123.2308 123.5081 123.5861 123.8691 124.1107 124.5811 125.0578 125.2655 125.5173 126.0507 126.4088 127.0245 127.0370 127.3034 127.5435 127.8665 128.0213 128.2963 128.5818 128.9795 129.1200 129.5433 129.6863 129.8968 130.0227 130.1792 130.3180 130.5955 130.6610 130.7861 131.0540 131.0839 131.5136 131.6440 131.7335 132.0528 132.3766 132.4328 132.5756 132.8970 132.9850 133.2706 133.3674 133.4685 133.8197 134.2042 134.3182 134.7359 134.9217 135.1749 135.4522 135.6567 136.0368 136.1752 136.3419 136.5393 136.6335 137.0771 137.1609 137.4718 137.5733 137.7917 138.1004 138.2647 138.4720 138.6335 138.9105 139.1162 139.3765 139.4600 139.6588 140.0069 140.0440 140.4132 140.7080 140.9334 141.3140 141.3915 141.8378 142.3095 142.5856 142.8079 142.8445 143.0524 143.1816 143.6891 144.2638 144.4982 144.7762 144.9286 145.0482 145.1820 145.7957 146.1397 146.5355 146.7061 147.0880 147.5359 147.8481 148.2832 148.8894 149.0752 149.1530 149.3490 149.5820 149.7202 149.8691 150.0123 150.4818 150.7284 150.9901 150.9937 151.2930 151.4024 151.7551 151.8465 152.3348 152.6772 152.7907 152.9686 153.1929 153.5319 153.6317 153.8098 154.0147 154.2836 154.4674 154.8052 154.9805 155.2078 155.4949 155.9403 156.1184 156.4521 156.7492 156.8878 157.1579 157.6465 157.7692 158.0174 158.1254 158.4101 158.8533 158.9773 159.1474 159.5107 159.5618 159.9951 160.5140 160.8654 161.0124 161.6275 162.2828 162.5877 163.7180 164.1333 164.9041 166.2014 168.0544 168.8142 169.2157 170.4663 172.1879 173.6280 174.4165 176.5467 177.8415 179.1368 182.3087 184.3374 185.2578 185.8847 187.4473 187.9789 188.3103 189.0455 190.0486 191.8888 194.4209 195.3764 196.2571 198.2312 200.8766 202.2035 204.7611 221.2253 222.4191 223.0485 226.4956 228.8752 246.9077 257.0576 263.0443 294.5080 296.4836 311.8270 546.1647 619.8611 623.6557 626.4793 631.7294 632.0993 634.1067 634.3001 635.6127 636.7687 637.6396 639.1848 640.1129 640.4115 641.0722 642.7054 643.7961 644.1832 646.3161 659.6568 710.2484 880.7703 886.7934 1199.3357 1211.3805 -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 -0.045277 -0.044868 -0.287926 -0.409047 -0.149772 -0.203846 -0.143634 -0.073755 -0.089217 -0.140589 -0.132526 -0.062978 -0.132641 -0.291814 0.372302 0.159803 0.258179 0.047963 -0.197513 -0.176593 -0.115109 -0.183315 -0.185140 -0.103945 0.152947 0.058795 0.071542 0.018279 0.082058 0.082287 0.017476 0.073257 0.057291 0.089664 0.080072 0.040814 0.054106 0.138175 0.119600 0.081138 0.089527 0.079481 0.145402 0.160185 0.155141 0.162820 0.158172 0.163030 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 17.0453 16.0449 8.2879 8.4090 7.1498 7.2038 6.1436 6.0738 6.0892 6.1406 6.1325 6.0630 6.1326 6.2918 5.6277 5.8402 5.7418 5.9520 6.1975 6.1766 6.1151 6.1833 6.1851 6.1039 5.8471 0.9412 0.9285 0.9817 0.9179 0.9177 0.9825 0.9267 0.9427 0.9103 0.9199 0.9592 0.9459 0.8618 0.8804 0.9189 0.9105 0.9205 0.8546 0.8398 0.8449 0.8372 0.8418 0.8370 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 -0.0453 -0.0449 -0.2879 -0.4090 -0.1498 -0.2038 -0.1436 -0.0738 -0.0892 -0.1406 -0.1325 -0.0630 -0.1326 -0.2918 0.3723 0.1598 0.2582 0.0480 -0.1975 -0.1766 -0.1151 -0.1833 -0.1851 -0.1039 0.1529 0.0588 0.0715 0.0183 0.0821 0.0823 0.0175 0.0733 0.0573 0.0897 0.0801 0.0408 0.0541 0.1382 0.1196 0.0811 0.0895 0.0795 0.1454 0.1602 0.1551 0.1628 0.1582 0.1630 1.2584 2.4134 2.1112 2.0789 2.9487 2.9384 3.8468 3.8812 3.8867 3.9169 3.9088 3.8586 3.8828 3.9630 4.2476 3.8790 3.8168 3.5289 3.9217 3.8607 4.0456 3.8587 3.8753 3.8055 4.2102 1.0089 1.0162 1.0368 1.0123 1.0129 1.0289 1.0067 1.0084 1.0129 1.0110 1.0143 1.0108 1.0070 1.0192 1.0009 1.0032 1.0006 1.0179 1.0069 1.0051 0.9911 0.9945 0.9877 1.2584 2.4134 2.1112 2.0789 2.9487 2.9384 3.8468 3.8812 3.8867 3.9169 3.9088 3.8586 3.8828 3.9630 4.2476 3.8790 3.8168 3.5289 3.9217 3.8607 4.0456 3.8587 3.8753 3.8055 4.2102 1.0089 1.0162 1.0368 1.0123 1.0129 1.0289 1.0067 1.0084 1.0129 1.0110 1.0143 1.0108 1.0070 1.0192 1.0009 1.0032 1.0006 1.0179 1.0069 1.0051 0.9911 0.9945 0.9877 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1413 0.9434 1.2717 1.0463 0.8914 1.8702 1.1736 1.5676 1.5914 0.9210 0.9134 1.0132 1.0010 0.9443 1.0186 1.0085 0.9364 1.0022 1.0125 0.9423 0.9998 1.0041 0.9277 1.0181 0.9966 0.9442 0.9984 0.9972 0.9827 0.9797 0.9984 0.9998 0.9963 1.2538 1.5394 0.9271 1.3439 1.3023 1.4306 0.9941 1.4248 0.9875 1.3213 0.9461 1.3542 1.0052 1.3808 1.0004 0.9910 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 -0.027894060 -1856.348873630527 58.99884 -56.72848 2.27036 17.85070 -20.07498 -2.22428 7.15668 -6.85880 0.29788 3.19229 8.11415