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 48 Cl S 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 H H 1 2 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 6 6 339.7340999999997 AuxInfo=1/0/N:9,10,11,12,13,14,18,19,15,16,24,21,17,8,22,23,20,6,7,1,5,4,3,2/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,17.3,21.2,23.1/rA:49nClSO1NN2CCC3CCCCCCC3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;;s4;s6;s6;s6;s6;s7;s7;s7;s8;s8;;s15s17;s16s17;s3s4;s2s17;s2;s1s20s22;s5s22;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s18;s19;s21;s21;s24;/rC:-1.7933,-2.6922,1.9697;-.1343,-3.3551,-.7662;-2.8343,-.0001,1.9784;-2.0137,.6642,-.0583;-1.3985,.3823,-1.1958;2.9981,2.4418,-.7521;-2.4507,2.0964,.1046;2.6324,1.0006,-.4203;4.5227,2.5714,-.8458;2.3687,2.8208,-2.0985;2.4916,3.4254,.3017;-1.751,2.7075,1.3198;-3.9721,2.1695,.2302;-2.0356,2.8981,-1.1253;1.9662,.6394,.7462;2.9579,-.0249,-1.3153;1.8936,-1.6833,.0778;1.6021,-.68,.9915;2.5928,-1.3376,-1.0775;-2.2229,-.2545,.9499;1.3637,-3.0638,.2766;-.9733,-1.8404,-.4443;-1.6393,-1.5649,.6999;-.9083,-.7917,-1.3989;4.9989,2.3215,.1044;4.9431,1.918,-1.6118;4.8032,3.5961,-1.0982;2.7278,2.1917,-2.9139;1.2807,2.7322,-2.0634;2.6105,3.8547,-2.3531;1.4043,3.3947,.4016;2.9252,3.2391,1.2857;2.763,4.4425,.0149;-1.9953,3.769,1.3643;-.6664,2.6238,1.2284;-2.0534,2.2641,2.2644;-4.2679,3.2176,.2817;-4.3556,1.6782,1.1199;-4.4574,1.7328,-.6436;-2.5077,2.544,-2.0403;-.9561,2.911,-1.2752;-2.3581,3.9267,-.9634;1.7009,1.3857,1.4826;3.4956,.2035,-2.2277;1.0694,-.9211,1.9041;2.8373,-2.101,-1.807;2.0644,-3.8315,-.0531;1.1124,-3.2583,1.3179;-.4145,-.9453,-2.3483; 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 1455 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 194 Dim 1116 ENuc 2551.6667907315 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 5.120e-06 Time for diagonalization 0.256 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.275 sec Total time needed 0.539 sec 17 16 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 1 1 339.7340999999997 AuxInfo=1/0/N:9,10,11,12,13,14,18,19,15,16,24,21,17,8,22,23,20,6,7,1,5,4,3,2/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,17.3,21.2,23.1/rA:49nClSO1NN2CCC3CCCCCCC3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;;s4;s6;s6;s6;s6;s7;s7;s7;s8;s8;;s15s17;s16s17;s3s4;s2s17;s2;s1s20s22;s5s22;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s18;s19;s21;s21;s24;/rC:-1.7932,-2.6922,1.9697;-.1343,-3.3551,-.7662;-2.8343,-.0001,1.9784;-2.0137,.6642,-.0583;-1.3985,.3823,-1.1958;2.9981,2.4418,-.7521;-2.4507,2.0964,.1046;2.6324,1.0006,-.4203;4.5227,2.5714,-.8458;2.3687,2.8208,-2.0985;2.4916,3.4254,.3017;-1.751,2.7075,1.3198;-3.9721,2.1695,.2302;-2.0356,2.8981,-1.1253;1.9662,.6394,.7462;2.9579,-.0249,-1.3153;1.8936,-1.6833,.0778;1.6021,-.68,.9915;2.5928,-1.3376,-1.0775;-2.2229,-.2545,.9499;1.3637,-3.0638,.2766;-.9733,-1.8404,-.4443;-1.6393,-1.5649,.6999;-.9083,-.7917,-1.3989;4.9989,2.3215,.1044;4.9431,1.918,-1.6118;4.8032,3.5961,-1.0982;2.7278,2.1917,-2.9139;1.2807,2.7322,-2.0634;2.6105,3.8547,-2.3531;1.4043,3.3947,.4016;2.9252,3.239,1.2857;2.763,4.4425,.0149;-1.9953,3.769,1.3643;-.6664,2.6238,1.2284;-2.0534,2.2641,2.2644;-4.2679,3.2176,.2817;-4.3556,1.6782,1.1199;-4.4574,1.7328,-.6436;-2.5077,2.544,-2.0403;-.9561,2.911,-1.2752;-2.3581,3.9267,-.9634;1.7009,1.3857,1.4826;3.4956,.2035,-2.2277;1.0694,-.9211,1.9041;2.8373,-2.101,-1.807;2.0644,-3.8315,-.0531;1.1124,-3.2583,1.3179;-.4145,-.9453,-2.3483; 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" 339.7340999999997 AuxInfo=1/0/N:9,10,11,12,13,14,18,19,15,16,24,21,17,8,22,23,20,6,7,1,5,4,3,2/E:(1,2,3)(4,5,6)(7,8)(9,10)/CRV:7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,17.3,21.2,23.1/rA:49nClSO1NN2CCC3CCCCCCC3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;;s4;s6;s6;s6;s6;s7;s7;s7;s8;s8;;s15s17;s16s17;s3s4;s2s17;s2;s1s20s22;s5s22;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s18;s19;s21;s21;s24;/rC:-1.7933,-2.6922,1.9697;-.1343,-3.3551,-.7662;-2.8343,-.0001,1.9784;-2.0137,.6642,-.0583;-1.3985,.3823,-1.1958;2.9981,2.4418,-.7521;-2.4507,2.0964,.1046;2.6324,1.0006,-.4203;4.5227,2.5714,-.8458;2.3687,2.8208,-2.0985;2.4916,3.4254,.3017;-1.751,2.7075,1.3198;-3.9721,2.1695,.2302;-2.0356,2.8981,-1.1253;1.9662,.6394,.7462;2.9579,-.0249,-1.3153;1.8936,-1.6833,.0778;1.6021,-.68,.9915;2.5928,-1.3376,-1.0775;-2.2229,-.2545,.9499;1.3637,-3.0638,.2766;-.9733,-1.8404,-.4443;-1.6393,-1.5649,.6999;-.9083,-.7917,-1.3989;4.9989,2.3215,.1044;4.9431,1.918,-1.6118;4.8032,3.5961,-1.0982;2.7278,2.1917,-2.9139;1.2807,2.7322,-2.0634;2.6105,3.8547,-2.3531;1.4043,3.3947,.4016;2.9252,3.2391,1.2857;2.763,4.4425,.0149;-1.9953,3.769,1.3643;-.6664,2.6238,1.2284;-2.0534,2.2641,2.2644;-4.2679,3.2176,.2817;-4.3556,1.6782,1.1199;-4.4574,1.7328,-.6436;-2.5077,2.544,-2.0403;-.9561,2.911,-1.2752;-2.3581,3.9267,-.9634;1.7009,1.3857,1.4826;3.4956,.2035,-2.2277;1.0694,-.9211,1.9041;2.8373,-2.101,-1.807;2.0644,-3.8315,-.0531;1.1124,-3.2583,1.3179;-.4145,-.9453,-2.3483; 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 2764 GEPOL Volume 2700.5849 GEPOL Surface-area 1434.1924 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.4s -1782.29543431 2551.66679073 -4333.96222504 -7514.51830229 3180.55607724 -0.02740047 -3559.03144179 1776.73600748 2.00312901 97.000001926666 97.000001926666 194.000003853331 -132.575674422439 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.6816 -2420.7142 -522.7545 -395.1357 -393.9692 -283.1148 -282.0887 -281.4533 -281.2606 -281.0169 -280.6124 -279.9546 -279.9482 -279.8436 -279.6453 -279.6400 -279.5694 -279.5519 -279.1574 -279.1537 -279.1501 -279.0201 -279.0125 -278.9756 -260.9482 -219.2283 -199.7884 -199.5547 -199.5286 -163.5632 -163.4561 -163.2907 -32.7343 -31.3111 -28.0367 -27.0131 -26.9029 -25.8653 -25.3291 -25.0022 -24.3696 -23.4790 -23.0758 -21.9822 -21.8952 -21.6269 -21.5931 -21.5779 -20.9532 -20.1547 -19.4068 -19.0939 -18.7737 -18.1893 -17.7905 -16.7344 -16.4174 -16.3323 -15.7957 -15.4902 -15.3590 -15.0772 -14.8496 -14.6930 -14.6685 -14.5909 -14.3800 -14.2778 -14.1978 -14.0805 -13.8019 -13.4659 -13.2736 -13.2298 -13.0713 -12.9860 -12.8794 -12.7199 -12.5613 -12.4036 -12.3372 -12.2039 -12.0054 -11.9789 -11.7917 -11.7509 -11.4742 -11.3412 -11.2605 -11.1029 -10.9229 -10.3843 -9.8542 -9.4509 -9.1421 -8.9374 -8.6765 -0.1158 1.4553 1.5250 1.7718 2.5719 3.0239 3.5012 3.6265 3.8141 3.9756 4.2345 4.4207 4.4557 4.5667 4.6406 4.6813 4.7716 4.9196 5.0168 5.1406 5.1892 5.2383 5.3542 5.5188 5.7082 5.7931 6.0430 6.1124 6.1795 6.3230 6.3602 6.5447 6.5882 6.6770 6.7160 6.8082 6.8781 6.9367 7.0277 7.1007 7.1510 7.2846 7.3442 7.5033 7.6784 7.7432 7.9378 8.1424 8.1666 8.2996 8.3579 8.5166 8.6057 8.6970 8.8693 9.0446 9.1204 9.2590 9.4516 9.4922 9.5916 9.7720 9.9692 10.0177 10.1060 10.1589 10.3284 10.4370 10.4600 10.6355 10.6871 10.9203 10.9720 11.0521 11.1154 11.2904 11.3979 11.5120 11.5740 11.7058 11.7698 11.8828 12.0526 12.0938 12.1856 12.3982 12.4558 12.4981 12.5676 12.6580 12.8704 12.9710 13.1089 13.1898 13.2979 13.3975 13.5757 13.7180 13.8077 13.8545 13.9852 14.0152 14.1351 14.2524 14.3309 14.4570 14.5446 14.6038 14.6731 14.7237 14.7631 14.8640 14.9357 15.0128 15.0210 15.1197 15.1635 15.3309 15.3699 15.4797 15.5387 15.6952 15.7258 15.7779 15.8529 16.0655 16.1254 16.2569 16.3777 16.5328 16.7069 16.8005 16.9479 17.0234 17.1625 17.3194 17.5375 17.7070 17.9164 18.0252 18.0550 18.2612 18.3617 18.4916 18.6981 18.7600 18.8341 18.9603 19.1822 19.2648 19.3773 19.6120 19.8110 19.8913 20.0248 20.1270 20.2580 20.4370 20.5770 20.9180 21.0370 21.0704 21.2312 21.3360 21.5559 21.5977 21.6534 21.9063 21.9413 22.0640 22.2231 22.4045 22.4795 22.6235 22.6908 22.8098 23.0485 23.0982 23.2083 23.3245 23.3923 23.4963 23.7210 23.9073 24.0089 24.1814 24.3292 24.3851 24.6172 24.6876 24.8275 24.9654 25.1918 25.3364 25.4952 25.7481 25.8345 26.0231 26.1583 26.2686 26.4641 26.5055 26.5550 26.9049 27.0465 27.1272 27.3704 27.5693 27.7059 27.7689 27.9282 28.0536 28.1744 28.2663 28.5402 28.6231 28.6906 28.8462 29.0045 29.2286 29.2879 29.3430 29.5255 29.6319 29.7711 29.8644 30.0194 30.2589 30.3791 30.4739 30.6769 30.7676 30.8920 31.1008 31.1911 31.3495 31.6126 31.7574 31.8157 31.8913 31.9784 32.1822 32.2796 32.5141 32.6713 32.8119 32.9691 33.0736 33.2266 33.3797 33.5331 33.6035 33.6879 33.8782 34.1609 34.2535 34.2976 34.4646 34.6584 34.7711 34.8764 35.0137 35.1314 35.2628 35.4436 35.6124 35.7375 35.8123 35.9868 36.0294 36.1194 36.2181 36.5072 36.5548 36.7190 36.9863 37.0949 37.4702 37.5703 37.6129 37.7853 38.0138 38.0603 38.2794 38.6164 38.6966 38.7888 38.9513 39.0071 39.1802 39.3779 39.4249 39.5971 39.6779 39.8508 39.8753 39.9656 40.1794 40.2917 40.4955 40.7869 40.9119 41.0967 41.1888 41.3722 41.4127 41.5977 41.7418 41.9124 42.1042 42.2771 42.4062 42.5189 42.7465 42.9074 42.9520 43.0235 43.1983 43.2079 43.4494 43.6370 43.7546 43.7955 43.9211 44.0000 44.1114 44.1463 44.2570 44.4225 44.4648 44.7719 44.9933 45.0988 45.1941 45.3291 45.4038 45.5281 45.6961 45.8577 46.1074 46.2177 46.2273 46.4094 46.5871 46.6100 46.7956 46.9195 47.0929 47.1821 47.3492 47.4579 47.7385 47.8169 47.8549 48.0146 48.1181 48.2613 48.3751 48.7462 48.7495 49.1763 49.2165 49.2976 49.5605 49.8020 49.9514 50.1441 50.2641 50.4523 50.5470 50.6921 51.0199 51.1067 51.3507 51.4426 51.5342 51.8374 51.9217 52.0039 52.1528 52.4519 52.5779 52.7699 52.9270 53.0052 53.1829 53.3074 53.6781 53.8786 54.0173 54.1292 54.3011 54.7443 54.9868 55.1340 55.3357 55.6318 55.7611 56.0328 56.2582 56.3732 56.4320 56.7498 57.1279 57.1917 57.5222 57.6884 57.9238 58.0659 58.4234 58.9223 59.0037 59.2845 59.3894 59.6161 59.8257 59.9893 60.2109 60.2534 60.4416 60.4781 60.6531 60.8194 60.8622 61.1640 61.2420 61.4164 61.7620 61.9188 62.1720 62.3415 62.5528 62.7049 62.7687 62.8999 63.1815 63.3645 63.5605 63.6696 63.8510 64.0467 64.3490 64.4395 64.9743 65.2673 65.7301 65.7938 66.2492 66.5005 66.7605 67.0740 67.2552 67.3313 67.6826 68.4002 68.5377 68.7585 69.0144 69.3119 69.5001 69.9491 70.2046 70.5392 70.8299 70.9783 71.2303 71.4202 71.5256 71.6866 72.0900 72.2572 72.4086 72.6031 72.9767 73.0109 73.4905 73.5660 73.8449 74.0652 74.1104 74.2965 74.5300 75.0204 75.0286 75.4195 75.7049 75.8882 75.9992 76.1145 76.3180 76.6885 76.7164 76.9022 77.1722 77.4936 77.6703 77.7631 77.8882 78.0508 78.1137 78.2007 78.5858 78.6795 78.8600 79.0043 79.1189 79.2675 79.5082 79.5617 79.6447 79.7336 79.8428 80.0503 80.1828 80.2652 80.4225 80.6703 80.8125 80.8691 80.9627 81.2173 81.3469 81.4732 81.7089 81.9119 81.9951 82.0615 82.2529 82.4353 82.5537 82.6682 82.9067 82.9741 83.2155 83.4317 83.5742 83.6397 83.8651 84.0207 84.1478 84.3819 84.4580 84.5887 84.6638 84.8571 84.9570 85.1023 85.1134 85.2914 85.4593 85.6663 85.9760 86.0742 86.0856 86.2878 86.3650 86.5901 86.6904 86.8085 86.8736 86.9090 86.9642 87.0796 87.2110 87.4450 87.5406 87.5974 87.7078 88.1502 88.2876 88.4291 88.5810 88.6037 89.1577 89.2106 89.2664 89.3170 89.4066 89.6035 89.7633 89.9317 89.9839 90.2824 90.3331 90.4839 90.5786 90.7410 90.8763 91.0124 91.2295 91.4373 91.5910 91.8012 91.8990 92.1334 92.1882 92.3605 92.4904 92.5879 92.7128 92.8360 93.0968 93.2105 93.2467 93.3792 93.4128 93.5543 93.5943 93.6421 93.7406 93.7772 93.8898 94.2925 94.4291 94.5693 94.5795 94.6505 94.9775 95.0310 95.1769 95.2960 95.3910 95.4553 95.6296 95.7953 95.9380 96.1218 96.2405 96.2449 96.3703 96.4867 96.6699 96.7742 96.9049 97.1208 97.2305 97.2975 97.3430 97.6265 97.8144 98.2096 98.3378 98.4522 98.5525 98.6175 98.8691 99.0116 99.0492 99.1805 99.3229 99.5699 99.6328 99.7374 99.9935 100.1422 100.3560 100.4548 100.6089 100.7511 101.1091 101.3112 101.3869 101.7238 101.7749 101.9107 101.9925 102.1520 102.3748 102.4812 102.8265 102.9706 103.0545 103.4546 103.5675 103.6370 103.8392 103.8925 104.0461 104.1793 104.3980 104.6390 104.7926 104.9284 105.1055 105.3541 105.4317 105.6113 105.6938 105.8506 105.9313 106.1214 106.2155 106.4928 106.6037 106.6820 106.9114 106.9467 107.2546 107.4412 107.5927 107.8354 107.8747 108.1035 108.2975 108.4302 108.6575 108.8343 109.0156 109.1629 109.3981 109.6025 109.6683 109.8648 110.1151 110.2020 110.5844 110.6446 110.8821 111.1415 111.2538 111.3675 111.7263 111.7728 111.9070 112.0716 112.2146 112.4946 112.6708 112.8445 112.9477 113.0151 113.4043 113.5893 113.7597 113.8759 114.0949 114.4383 114.5423 114.7392 114.8498 114.9309 115.0305 115.2446 115.6532 115.8084 115.9520 116.0125 116.1958 116.2735 116.3843 116.5597 116.6354 116.7318 116.8173 116.9767 117.1685 117.2092 117.2869 117.3715 117.4891 117.5415 117.6944 117.7665 117.8199 117.9157 118.0937 118.1951 118.3247 118.4193 118.5467 118.6467 118.8359 118.9631 119.0391 119.0923 119.2705 119.2940 119.5130 119.9196 120.1497 120.2740 120.3908 120.5491 120.7988 120.9996 121.1022 121.1645 121.5255 121.6674 121.8672 121.9054 122.1089 122.2834 122.4911 122.5311 122.8695 123.3083 123.3568 123.6370 123.8825 123.9465 124.3145 124.3701 124.6449 125.0150 125.2215 125.6829 125.7727 125.9369 126.1722 126.3138 127.1204 127.4523 127.6634 127.8989 128.0335 128.8753 129.0146 129.0350 129.1430 129.2689 129.6068 129.7012 129.7748 129.9520 129.9797 130.2840 130.5656 130.8914 130.9260 131.1299 131.2906 131.4229 131.4890 131.8774 132.0479 132.1717 132.3376 132.4364 132.6526 132.7464 132.9606 133.2085 133.2905 133.4169 133.6649 133.8751 133.8979 134.1018 134.2630 134.3055 134.4513 134.8768 134.9176 135.0997 135.3305 135.5191 135.9125 136.2318 136.5542 136.7655 136.8008 136.9349 137.0116 137.2535 137.7471 138.9677 139.1652 139.2282 139.4646 139.7909 140.0275 140.0719 141.2399 141.7661 141.9287 142.0970 142.2280 142.4708 142.5459 142.7340 142.9430 143.1465 143.4517 143.6437 143.7842 144.4339 144.4855 144.7503 145.1659 145.4095 145.5923 145.7229 145.8679 146.0140 146.2734 146.3482 146.6663 147.1926 147.3128 147.5770 148.0283 148.1403 148.5337 148.6275 148.7755 149.1280 149.2596 149.3834 149.4630 149.6919 149.7312 149.9226 150.1208 150.3092 150.3865 150.4840 150.7918 151.2050 151.2575 151.3615 151.5489 151.6157 152.1821 152.3369 152.5565 152.8080 153.1698 153.1899 153.6147 154.1492 154.3999 154.5972 154.7184 155.2018 155.4748 155.7253 156.5701 156.6318 157.0961 157.4560 157.6899 158.0455 158.2576 158.4833 158.5797 158.8981 159.2116 159.3153 159.4663 159.6634 159.8622 160.3018 160.4529 160.5874 160.8122 160.8859 161.2557 161.4783 162.2051 162.8131 163.4401 164.1134 164.8355 165.0875 168.1504 170.0295 170.7595 173.2534 175.9565 179.1409 179.2100 181.3039 184.2337 188.7807 189.1397 189.7103 190.5394 190.8838 191.7461 195.7585 198.1745 200.1071 201.3057 222.4847 223.3937 224.8600 227.3124 229.7786 249.1261 258.3245 263.0352 295.5488 298.2513 313.1490 548.3829 617.7046 623.8124 625.2158 628.2132 629.6412 632.4718 635.4709 637.2861 637.9476 638.8680 640.0583 644.6516 646.4865 646.8935 648.9996 649.4710 652.2319 652.9822 658.7501 716.7820 888.1199 900.4997 1201.1446 -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 48 Cl S 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 H H -0.037015 -0.103377 -0.533001 0.148643 -0.257261 0.344633 0.176552 -0.072450 -0.330890 -0.333209 -0.351262 -0.324067 -0.328652 -0.233125 -0.233510 -0.158756 0.047199 -0.139640 -0.232620 0.360915 -0.152576 0.133707 -0.095588 -0.080101 0.101779 0.097741 0.097687 0.102275 0.096383 0.098241 0.093179 0.102734 0.103104 0.109069 0.085661 0.114987 0.103790 0.109032 0.106461 0.102938 0.080242 0.101217 0.147949 0.143414 0.141544 0.136544 0.147185 0.132298 0.129994 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 Cl S 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 H H 17.0370 16.1034 8.5330 6.8514 7.2573 5.6554 5.8234 6.0725 6.3309 6.3332 6.3513 6.3241 6.3287 6.2331 6.2335 6.1588 5.9528 6.1396 6.2326 5.6391 6.1526 5.8663 6.0956 6.0801 0.8982 0.9023 0.9023 0.8977 0.9036 0.9018 0.9068 0.8973 0.8969 0.8909 0.9143 0.8850 0.8962 0.8910 0.8935 0.8971 0.9198 0.8988 0.8521 0.8566 0.8585 0.8635 0.8528 0.8677 0.8700 17.0000 16.0000 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 1.0000 1.0000 -0.0370 -0.1034 -0.5330 0.1486 -0.2573 0.3446 0.1766 -0.0725 -0.3309 -0.3332 -0.3513 -0.3241 -0.3287 -0.2331 -0.2335 -0.1588 0.0472 -0.1396 -0.2326 0.3609 -0.1526 0.1337 -0.0956 -0.0801 0.1018 0.0977 0.0977 0.1023 0.0964 0.0982 0.0932 0.1027 0.1031 0.1091 0.0857 0.1150 0.1038 0.1090 0.1065 0.1029 0.0802 0.1012 0.1479 0.1434 0.1415 0.1365 0.1472 0.1323 0.1300 1.3064 2.2115 1.9691 3.2181 2.9257 3.6080 3.8232 3.6810 3.9141 3.9241 3.9342 3.9074 3.9036 3.8617 3.9190 3.9485 3.5071 3.9394 4.0115 4.2530 3.9279 3.7955 3.9485 4.1259 1.0037 1.0037 1.0032 1.0051 1.0008 1.0047 0.9968 1.0012 1.0081 1.0037 1.0100 1.0259 1.0026 1.0226 1.0039 1.0165 1.0073 1.0060 0.9968 1.0013 0.9999 1.0101 0.9992 1.0062 1.0182 1.3064 2.2115 1.9691 3.2181 2.9257 3.6080 3.8232 3.6810 3.9141 3.9241 3.9342 3.9074 3.9036 3.8617 3.9190 3.9485 3.5071 3.9394 4.0115 4.2530 3.9279 3.7955 3.9485 4.1259 1.0037 1.0037 1.0032 1.0051 1.0008 1.0047 0.9968 1.0012 1.0081 1.0037 1.0100 1.0259 1.0026 1.0226 1.0039 1.0165 1.0073 1.0060 0.9968 1.0013 0.9999 1.0101 0.9992 1.0062 1.0182 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1650 0.9727 1.0408 1.8545 0.9665 0.8998 1.1997 1.7741 0.9197 0.9125 0.9033 0.9054 0.9396 0.9365 0.9350 1.3370 1.3321 0.9903 0.9889 0.9913 0.9939 0.9904 0.9914 0.9976 0.9956 1.0011 0.9874 0.9881 0.9940 0.9854 0.9874 0.9884 0.9923 0.9903 0.9942 1.4653 0.9884 1.5194 0.9822 1.3188 1.3272 0.9226 0.9938 1.0099 1.0731 0.9733 1.0134 1.5556 1.1345 0.9961 0 22 1 20 1 21 2 19 3 4 3 6 3 19 4 23 5 7 5 8 5 9 5 10 6 11 6 12 6 13 7 14 7 15 8 24 8 25 8 26 9 27 9 28 9 29 10 30 10 31 10 32 11 33 11 34 11 35 12 36 12 37 12 38 13 39 13 40 13 41 14 17 14 42 15 18 15 43 16 17 16 18 16 20 17 44 18 45 19 22 20 46 20 47 21 22 21 23 23 48 -0.031515167 -1782.326949480391 18.43441 -16.89760 1.53681 44.35666 -43.40264 0.95402 -11.01316 9.65245 -1.36071 2.26351 5.75338