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:-6.095,-.547,.6753;.8947,-3.0464,.3213;-1.3456,-2.0148,-.1561;-.1379,-.8093,1.313;-3.0226,1.1138,-.8668;-4.2275,.8699,-.4078;5.1064,.205,.6315;4.3769,1.5301,.4194;4.2929,-.8768,1.3401;4.0888,2.2911,1.7088;3.0646,-1.3161,.5504;3.1645,3.4921,1.528;2.3196,-2.4299,1.2641;3.6725,4.5298,.5378;-.2455,-1.7588,.594;-2.309,-1.0463,-.2302;-2.0605,.2066,-.8119;-.7495,.6036,-1.3575;-.0304,-.2356,-2.207;-.2278,1.8544,-1.0282;-3.5592,-1.324,.246;1.1953,.1724,-2.714;.9962,2.2569,-1.5371;1.7118,1.416,-2.3799;-4.4906,-.3021,.1139;6.0231,.3894,1.2003;5.4279,-.1837,-.3398;3.4398,1.3571,-.1191;4.9822,2.1544,-.2434;3.9852,-.5349,2.3327;4.9358,-1.7458,1.5079;5.0364,2.6207,2.149;3.634,1.6198,2.4431;2.3941,-.4688,.3934;3.3705,-1.6619,-.4408;2.1784,3.1391,1.2092;3.0121,3.9687,2.5001;2.9545,-3.3089,1.3899;1.9825,-2.1339,2.2579;4.6696,4.8836,.8095;3.0142,5.3992,.5068;3.7315,4.1338,-.4771;-.4313,-1.1966,-2.5023;-.7743,2.5098,-.3627;-3.7998,-2.2741,.7029;1.7425,-.483,-3.3783;1.3954,3.2274,-1.2719;2.6688,1.7309,-2.7747; 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 2522.3642743283 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 6.197e-06 Time for diagonalization 0.431 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 0.645 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:-6.095,-.547,.6753;.8947,-3.0464,.3213;-1.3456,-2.0148,-.1561;-.1379,-.8093,1.313;-3.0226,1.1138,-.8668;-4.2275,.8699,-.4078;5.1064,.205,.6315;4.3769,1.5301,.4194;4.2929,-.8768,1.3401;4.0888,2.2911,1.7088;3.0646,-1.3161,.5504;3.1645,3.4921,1.528;2.3196,-2.4299,1.2641;3.6725,4.5298,.5378;-.2455,-1.7588,.594;-2.309,-1.0463,-.2302;-2.0605,.2066,-.8119;-.7495,.6036,-1.3575;-.0304,-.2356,-2.207;-.2278,1.8544,-1.0282;-3.5592,-1.324,.246;1.1953,.1724,-2.714;.9962,2.2569,-1.5371;1.7118,1.416,-2.3799;-4.4906,-.3021,.1139;6.0231,.3894,1.2003;5.4279,-.1837,-.3398;3.4398,1.3571,-.1191;4.9822,2.1544,-.2434;3.9852,-.5349,2.3327;4.9358,-1.7458,1.5079;5.0364,2.6207,2.149;3.634,1.6198,2.4431;2.3941,-.4688,.3934;3.3705,-1.6619,-.4408;2.1784,3.1391,1.2092;3.0121,3.9687,2.5001;2.9545,-3.3089,1.3899;1.9825,-2.1339,2.2579;4.6696,4.8836,.8095;3.0142,5.3992,.5068;3.7315,4.1338,-.4771;-.4313,-1.1966,-2.5023;-.7743,2.5098,-.3627;-3.7998,-2.2741,.7029;1.7425,-.483,-3.3783;1.3954,3.2274,-1.2719;2.6688,1.7309,-2.7747; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.095,-.547,.6753;.8947,-3.0464,.3213;-1.3456,-2.0148,-.1561;-.1379,-.8093,1.313;-3.0226,1.1138,-.8668;-4.2275,.8699,-.4078;5.1064,.205,.6315;4.3769,1.5301,.4194;4.2929,-.8768,1.3401;4.0888,2.2911,1.7088;3.0646,-1.3161,.5504;3.1645,3.4921,1.528;2.3196,-2.4299,1.2641;3.6725,4.5298,.5378;-.2455,-1.7588,.594;-2.309,-1.0463,-.2302;-2.0605,.2066,-.8119;-.7495,.6036,-1.3575;-.0304,-.2356,-2.207;-.2278,1.8544,-1.0282;-3.5592,-1.324,.246;1.1953,.1724,-2.714;.9962,2.2569,-1.5371;1.7118,1.416,-2.3799;-4.4906,-.3021,.1139;6.0231,.3894,1.2003;5.4279,-.1837,-.3398;3.4398,1.3571,-.1191;4.9822,2.1544,-.2434;3.9852,-.5349,2.3327;4.9358,-1.7458,1.5079;5.0364,2.6207,2.149;3.634,1.6198,2.4431;2.3941,-.4688,.3934;3.3705,-1.6619,-.4408;2.1784,3.1391,1.2092;3.0121,3.9687,2.5001;2.9545,-3.3089,1.3899;1.9825,-2.1339,2.2579;4.6696,4.8836,.8095;3.0142,5.3992,.5068;3.7315,4.1338,-.4771;-.4313,-1.1966,-2.5023;-.7743,2.5098,-.3627;-3.7998,-2.2741,.7029;1.7425,-.483,-3.3783;1.3954,3.2274,-1.2719;2.6688,1.7309,-2.7747; 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 2817 GEPOL Volume 2805.0461 GEPOL Surface-area 1542.2746 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.32146374 2522.36427433 -4378.68573806 -7556.96209875 3178.27636069 -0.02926256 -3706.93364502 1850.61218128 2.00308508 99.999802838208 99.999802838208 199.999605676416 -138.239124428871 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 -2765.6991 -2421.1482 -525.6800 -523.8274 -393.9410 -393.9067 -284.4963 -282.8045 -282.6699 -281.6335 -280.9316 -280.5197 -280.3473 -279.9549 -279.9172 -279.8358 -279.8133 -279.8013 -279.4268 -279.2094 -279.1418 -279.1315 -279.0462 -279.0252 -278.9319 -260.9777 -219.6824 -199.8155 -199.5785 -199.5634 -164.0028 -163.8848 -163.7794 -34.6713 -32.1903 -31.9150 -28.0299 -27.0940 -26.4337 -25.7648 -25.4549 -25.0315 -24.2733 -23.8130 -23.6746 -23.3008 -22.3279 -21.7348 -21.4404 -20.5346 -19.9482 -19.5877 -19.4764 -19.1255 -18.6182 -18.2086 -17.7459 -17.4971 -17.1075 -16.8683 -16.2682 -15.9515 -15.9028 -15.6538 -15.5483 -15.1436 -15.1128 -14.9461 -14.7722 -14.7112 -14.4122 -14.2887 -14.1852 -13.7411 -13.5942 -13.4498 -13.4173 -12.8583 -12.8094 -12.7690 -12.6249 -12.4873 -12.2953 -12.0164 -11.9309 -11.7827 -11.7050 -11.6387 -11.4255 -11.2129 -10.9888 -10.8856 -10.7714 -10.7345 -10.5299 -10.4364 -9.8189 -9.7349 -9.3880 -9.1337 0.1792 0.3607 1.4133 1.8672 1.9381 2.5923 2.9654 3.2071 3.5670 3.6642 3.7767 4.0029 4.2089 4.3352 4.4275 4.4914 4.5918 4.7775 4.9533 5.1179 5.2807 5.2989 5.3676 5.4287 5.5813 5.7921 5.8840 5.9882 6.0237 6.1460 6.1777 6.3846 6.4958 6.6052 6.6265 6.7768 6.8822 6.9811 7.2341 7.2746 7.3891 7.5211 7.7337 7.7696 7.8378 7.9653 8.0072 8.0175 8.2492 8.3440 8.4575 8.6162 8.6906 8.7399 8.8353 8.9369 9.0079 9.1134 9.1959 9.3305 9.4576 9.5080 9.7169 9.8977 9.9266 10.0666 10.2190 10.3465 10.3892 10.4336 10.6265 10.7797 10.8694 10.9278 10.9525 11.2191 11.2227 11.2446 11.3865 11.5181 11.6282 11.7814 11.8532 11.9072 11.9683 12.1410 12.2666 12.4589 12.5349 12.6978 12.7290 12.8702 12.9626 13.1043 13.1638 13.2454 13.3317 13.4951 13.5848 13.6546 13.7264 13.8607 13.9291 14.0102 14.0557 14.2079 14.2805 14.3228 14.4226 14.5175 14.6169 14.6925 14.7160 14.7708 15.0400 15.0924 15.1326 15.2338 15.2927 15.3856 15.4105 15.5237 15.6035 15.7288 15.8057 15.9403 16.0045 16.0220 16.1614 16.2636 16.3586 16.4529 16.6047 16.7207 16.9076 16.9861 17.0511 17.1311 17.3284 17.3479 17.3999 17.4991 17.6406 17.8174 17.9361 18.1436 18.1884 18.2802 18.6223 18.7130 18.8260 18.8998 19.1650 19.1951 19.3528 19.4787 19.6892 19.7606 19.9607 19.9819 20.1490 20.2381 20.3379 20.3458 20.5753 20.6627 20.8606 21.0268 21.3064 21.3915 21.5228 21.5483 21.8553 21.9723 22.0503 22.2004 22.3367 22.5712 22.7487 22.7962 22.9387 23.0501 23.1365 23.3559 23.5799 23.6180 23.8002 23.9628 24.0396 24.1900 24.3432 24.4938 24.6604 24.7190 25.1560 25.3432 25.4573 25.5769 25.6542 25.8254 26.0651 26.1614 26.2536 26.4450 26.6169 26.6965 26.9348 26.9702 27.0934 27.3748 27.4298 27.5753 27.7218 27.8125 28.0730 28.1023 28.3375 28.5171 28.7958 28.8721 29.0021 29.0810 29.2698 29.3884 29.5566 29.5815 29.8445 30.0070 30.1297 30.5071 30.6009 30.7586 30.8463 31.0140 31.0540 31.1784 31.3968 31.5066 31.7145 31.9250 32.0260 32.1545 32.2234 32.3183 32.4796 32.6238 32.7471 32.8195 32.9026 33.0761 33.3350 33.4097 33.5375 33.6193 33.7422 33.8882 34.0162 34.1982 34.3471 34.4919 34.6257 34.7589 34.8577 35.0211 35.2144 35.3140 35.4046 35.6717 35.7753 36.0022 36.0837 36.2165 36.2358 36.3555 36.6715 36.8241 37.0240 37.1127 37.3065 37.3756 37.5171 37.5561 37.7681 37.8157 38.0443 38.0792 38.2512 38.3765 38.4996 38.7349 38.9155 38.9581 39.1018 39.1914 39.3992 39.4791 39.5753 39.7454 39.8461 40.0500 40.3327 40.4189 40.5321 40.8491 41.0333 41.1300 41.3852 41.4475 41.5900 41.6969 41.9433 42.0726 42.1743 42.2162 42.3983 42.5650 42.6598 42.6788 42.8915 42.9815 43.1342 43.2092 43.3208 43.5325 43.5898 43.8389 43.9858 44.1126 44.2445 44.3846 44.4354 44.4954 44.5081 44.9450 45.0057 45.1617 45.1941 45.2604 45.4878 45.5747 45.6777 45.8149 46.0196 46.1335 46.2655 46.4691 46.5005 46.8259 46.8911 47.0220 47.2013 47.2830 47.4313 47.5515 47.6618 47.8194 47.9805 48.1075 48.2571 48.3507 48.4207 48.6404 48.6531 48.9733 49.2309 49.4264 49.5247 49.6270 49.8259 49.9527 49.9753 50.1036 50.3132 50.5985 50.9028 51.0870 51.1569 51.3053 51.3471 51.5754 51.7098 51.8261 51.9269 52.1225 52.1977 52.5827 52.7196 53.0912 53.1931 53.3506 53.4647 53.7318 53.8213 54.0677 54.2410 54.5110 54.7770 54.9943 55.1500 55.4152 55.7258 55.7564 55.9412 56.3420 56.5787 56.8488 57.0589 57.3953 57.6498 57.7567 58.1672 58.4749 58.6753 58.9422 58.9546 59.2239 59.3119 59.4748 59.6995 59.7293 59.9423 60.0280 60.2820 60.3414 60.7940 60.8759 61.0226 61.2058 61.2732 61.6050 61.8389 61.8836 62.2344 62.4601 62.6262 62.6382 62.7095 62.9484 63.3138 63.4122 63.7289 64.0206 64.2697 64.4478 64.9800 65.2496 65.4081 65.5656 65.6318 65.8076 66.0842 66.1439 66.1839 66.5054 66.7060 66.8081 66.9911 67.4902 67.8356 68.0794 68.3292 68.5137 68.6617 69.1015 69.3680 69.3849 70.0370 70.4289 70.7519 71.0412 71.3403 71.4500 71.9005 72.0144 72.1968 72.2738 72.6056 72.9206 73.1374 73.1832 73.4338 73.7398 74.0603 74.1956 74.4658 74.6408 74.7884 74.8057 74.9967 75.3560 75.5006 75.6464 75.7922 75.9277 76.3937 76.6787 76.8218 76.9557 77.0908 77.1475 77.3838 77.6376 77.8063 77.9912 78.0873 78.2327 78.5901 78.7662 79.2216 79.3936 79.4815 79.5717 79.7870 79.8215 79.9518 80.0204 80.1842 80.3160 80.4732 80.8681 81.1470 81.1646 81.2583 81.6076 81.6342 81.9227 81.9611 82.1066 82.3002 82.6576 82.7864 82.9119 82.9721 83.1455 83.3045 83.3308 83.5499 83.8176 83.9418 84.1133 84.2092 84.4317 84.5331 84.6079 84.7606 84.8163 85.0978 85.2053 85.3617 85.5983 85.7258 85.7828 85.8915 86.0553 86.0786 86.1454 86.2944 86.4165 86.5547 86.8306 86.8465 87.0228 87.1590 87.2560 87.3429 87.5127 87.6059 87.8382 87.8836 88.0197 88.1148 88.1532 88.3727 88.4235 88.5997 88.6757 88.9251 88.9872 89.1671 89.2318 89.3346 89.5148 89.6360 89.7448 89.8315 89.9535 90.0489 90.1552 90.2579 90.3219 90.4631 90.5973 90.7699 90.8474 91.0575 91.2247 91.2887 91.3581 91.4806 91.6674 91.7705 91.9318 92.0395 92.2956 92.3067 92.3360 92.4332 92.6482 92.8010 92.9086 93.1272 93.2709 93.3004 93.4314 93.5284 93.7710 93.9334 94.0453 94.2390 94.5584 94.6972 94.7504 94.9208 94.9376 95.0819 95.3324 95.4858 95.5567 95.7233 96.0022 96.1168 96.2757 96.3293 96.4252 96.7171 96.9824 97.1303 97.3700 97.4958 97.5692 97.7553 97.8758 98.0066 98.2981 98.5011 98.7127 98.8666 98.9683 99.0204 99.2639 99.3360 99.5782 99.6379 99.8115 99.9643 100.1763 100.4402 100.5195 100.7183 100.8895 101.1427 101.1834 101.2722 101.5629 101.6226 101.7448 101.9971 102.0467 102.2750 102.5027 102.6442 102.8488 103.1303 103.2514 103.3675 103.6833 103.8354 103.9967 104.2040 104.2922 104.4160 104.6588 104.7408 105.0118 105.1078 105.1724 105.3571 105.4869 105.6582 105.7243 105.9447 106.0013 106.3115 106.3756 106.6929 106.8289 106.9875 107.3913 107.5619 107.7320 107.9284 108.0520 108.2770 108.4476 108.5659 108.7918 108.8705 109.0154 109.0765 109.3210 109.5193 109.6009 109.6690 109.8613 110.0048 110.0451 110.3213 110.4036 110.5273 110.7749 110.9356 111.1915 111.3305 111.4358 111.5173 111.7259 111.8045 112.0357 112.1914 112.4777 112.5469 112.7862 112.8504 112.9619 113.2909 113.3677 113.5260 113.6826 113.8074 113.9678 114.0336 114.2673 114.4790 114.5546 114.6092 114.8750 114.9226 115.3475 115.4375 115.5598 115.8411 116.0043 116.2327 116.3284 116.4618 116.5845 116.7159 116.9012 117.0083 117.1561 117.2517 117.3132 117.6769 117.8725 118.0053 118.2009 118.2975 118.6175 118.6462 118.7344 119.0156 119.0940 119.1604 119.2599 119.5427 119.5652 119.8822 119.9475 120.1575 120.3484 120.3675 120.6200 120.7875 120.8414 121.1657 121.2899 121.3861 121.5585 121.6075 121.7944 121.8479 122.1614 122.2681 122.5719 122.7878 123.0192 123.1510 123.5201 123.7455 124.0416 124.2654 124.4460 124.7164 125.0723 125.3159 125.4237 125.6332 125.9624 126.7977 126.8872 127.0309 127.2085 127.5341 127.6778 127.9578 128.2552 128.6131 129.0882 129.1878 129.4751 129.6966 129.9073 130.1386 130.2809 130.3889 130.5645 130.8021 130.9311 131.0029 131.1714 131.4693 131.4891 131.6407 131.9622 132.1448 132.2206 132.4585 132.7174 132.8144 133.0661 133.2520 133.3918 133.9764 134.2437 134.3821 134.6400 134.7496 135.1023 135.5327 135.6959 135.8881 136.0859 136.1844 136.4569 136.7838 136.8239 137.0672 137.1751 137.4555 137.8410 137.9357 138.1627 138.3954 138.6634 138.8258 139.1703 139.4425 139.6046 139.8864 140.0514 140.3036 140.4184 140.8205 141.2142 141.3298 141.4610 141.8805 142.0306 142.3253 142.4141 142.8378 143.0637 143.2572 143.5773 143.8609 144.2730 144.5391 144.9054 145.1004 145.1895 145.7907 146.1586 146.4948 146.9527 147.7372 147.8468 148.3940 148.4842 148.8617 149.1205 149.2413 149.3650 149.4857 149.6307 149.8233 150.0885 150.6793 150.7712 150.9583 150.9747 151.5097 151.6287 151.8877 151.9714 152.6186 152.8301 152.9569 153.1159 153.4283 153.6004 153.7548 153.9071 154.2197 154.3224 154.4688 154.7192 155.0078 155.1662 155.3053 155.5111 156.0141 156.1460 156.5232 156.8173 157.0529 157.3594 158.0789 158.1653 158.3587 158.5032 158.9947 159.1695 159.3489 159.4915 159.7878 160.0694 160.4426 160.7478 160.7570 161.6082 161.8147 162.1981 163.1250 164.2359 165.2175 165.9189 167.9267 168.7972 169.0701 170.3585 172.2496 173.5444 174.2042 176.9815 177.7803 179.2863 181.9353 184.3902 185.1471 185.8003 187.3042 187.8633 188.3894 189.0710 189.7354 191.7484 193.6536 195.4295 195.8722 198.0611 201.1514 202.5158 204.4585 221.2275 222.4258 223.0464 226.5012 228.8814 246.8644 258.1060 262.7755 294.5137 296.4862 311.8411 545.9019 619.8243 623.1096 626.3693 631.0672 632.1600 634.2935 634.5264 635.2736 636.7139 637.6973 638.7073 640.0296 640.6276 641.4068 642.6780 643.7310 644.6628 647.5684 659.6274 710.2647 880.7904 886.8854 1199.0771 1211.2570 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 -0.045324 -0.040925 -0.284678 -0.400198 -0.145728 -0.204810 -0.134735 -0.081622 -0.166090 -0.122294 -0.099912 -0.116901 -0.108264 -0.291251 0.357969 0.167915 0.252739 0.013404 -0.159108 -0.160464 -0.129466 -0.194240 -0.193400 -0.114553 0.152554 0.074450 0.075921 -0.009272 0.086361 0.076117 0.083993 0.066588 0.072550 0.049462 0.077585 0.049994 0.074515 0.132477 0.118231 0.089930 0.096296 0.076495 0.163132 0.141150 0.156658 0.157063 0.179159 0.160531 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 16.0409 8.2847 8.4002 7.1457 7.2048 6.1347 6.0816 6.1661 6.1223 6.0999 6.1169 6.1083 6.2913 5.6420 5.8321 5.7473 5.9866 6.1591 6.1605 6.1295 6.1942 6.1934 6.1146 5.8474 0.9256 0.9241 1.0093 0.9136 0.9239 0.9160 0.9334 0.9274 0.9505 0.9224 0.9500 0.9255 0.8675 0.8818 0.9101 0.9037 0.9235 0.8369 0.8589 0.8433 0.8429 0.8208 0.8395 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 -0.0409 -0.2847 -0.4002 -0.1457 -0.2048 -0.1347 -0.0816 -0.1661 -0.1223 -0.0999 -0.1169 -0.1083 -0.2913 0.3580 0.1679 0.2527 0.0134 -0.1591 -0.1605 -0.1295 -0.1942 -0.1934 -0.1146 0.1526 0.0744 0.0759 -0.0093 0.0864 0.0761 0.0840 0.0666 0.0726 0.0495 0.0776 0.0500 0.0745 0.1325 0.1182 0.0899 0.0963 0.0765 0.1631 0.1411 0.1567 0.1571 0.1792 0.1605 1.2582 2.4181 2.1209 2.0945 2.9480 2.9368 3.9182 3.8807 3.9292 3.8660 3.8608 3.8949 3.8882 3.9267 4.2701 3.8822 3.8226 3.5586 3.8386 3.9728 4.0419 3.8986 3.8822 3.8100 4.2118 1.0088 1.0082 1.0231 1.0053 1.0035 1.0109 1.0086 1.0107 1.0116 1.0149 1.0099 1.0094 1.0092 1.0227 1.0023 1.0032 0.9967 1.0045 1.0198 1.0053 0.9947 0.9749 0.9918 1.2582 2.4181 2.1209 2.0945 2.9480 2.9368 3.9182 3.8807 3.9292 3.8660 3.8608 3.8949 3.8882 3.9267 4.2701 3.8822 3.8226 3.5586 3.8386 3.9728 4.0419 3.8986 3.8822 3.8100 4.2118 1.0088 1.0082 1.0231 1.0053 1.0035 1.0109 1.0086 1.0107 1.0116 1.0149 1.0099 1.0094 1.0092 1.0227 1.0023 1.0032 0.9967 1.0045 1.0198 1.0053 0.9947 0.9749 0.9918 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1416 0.9500 1.2619 1.0497 0.9046 1.8945 1.1695 1.5756 1.5934 0.9367 0.9294 1.0127 1.0172 0.9292 1.0077 0.9988 0.9260 1.0132 1.0052 0.9452 1.0029 1.0015 0.9310 1.0014 0.9918 0.9304 1.0102 1.0108 0.9782 1.0010 0.9923 0.9981 0.9933 1.2490 1.5358 0.9237 1.2960 1.3717 1.4252 0.9932 1.4626 0.9864 1.3237 0.9468 1.3895 1.0012 1.3501 0.9791 0.9931 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 -0.027782955 -1856.349246690813 69.74914 -67.35405 2.39509 22.49307 -24.49029 -1.99722 5.99379 -5.84634 0.14745 3.12203 7.93556