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:.5066,-.8738,2.0332;-.2835,-3.4091,.1181;-1.1597,1.4114,1.5197;-2.6398,.4162,.0782;-3.0212,-.6319,-.637;3.4219,1.9995,-.2194;-3.4878,1.6503,-.0811;2.7869,.6716,-.611;4.7211,1.8128,.5617;3.7278,2.8195,-1.4784;2.4317,2.7694,.6646;-4.6517,1.3503,-1.0209;-2.6554,2.7721,-.7021;-4.0701,2.0569,1.2729;1.5774,.6662,-1.3078;3.3383,-.5642,-.2773;1.4592,-1.7439,-1.2313;.9272,-.5161,-1.6175;2.6833,-1.7503,-.5749;-1.5373,.4218,.9059;.6707,-2.9959,-1.4128;-1.1977,-1.9087,.221;-.8308,-.851,.9823;-2.3497,-1.73,-.5881;5.1374,2.7876,.8207;4.5644,1.2668,1.4937;5.477,1.2806,-.0185;4.1846,3.7742,-1.2098;4.4232,2.2922,-2.134;2.8273,3.0386,-2.0537;2.8673,3.7182,.9847;1.5036,2.9964,.1377;2.1733,2.1993,1.5592;-5.2444,2.2616,-1.1013;-5.3057,.5647,-.6453;-4.3262,1.0797,-2.024;-3.3059,3.6269,-.8881;-2.2371,2.4618,-1.6606;-1.8436,3.1122,-.0646;-3.3184,2.3726,1.991;-4.6472,1.241,1.7099;-4.7495,2.8959,1.1213;1.1173,1.6007,-1.6052;4.2831,-.6198,.2462;-.017,-.4824,-2.1495;3.1217,-2.6921,-.2659;-.0296,-2.9258,-2.2444;1.3038,-3.8695,-1.5729;-2.7154,-2.5397,-1.2051; 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 2554.1522014431 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 5.227e-06 Time for diagonalization 0.254 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.270 sec Total time needed 0.532 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:.5066,-.8738,2.0332;-.2835,-3.4091,.1181;-1.1597,1.4114,1.5197;-2.6398,.4162,.0782;-3.0212,-.6319,-.637;3.4219,1.9995,-.2194;-3.4878,1.6503,-.0811;2.7869,.6716,-.611;4.7211,1.8128,.5617;3.7278,2.8195,-1.4784;2.4317,2.7694,.6646;-4.6517,1.3503,-1.0209;-2.6554,2.7721,-.7021;-4.0701,2.0569,1.2729;1.5774,.6662,-1.3078;3.3383,-.5642,-.2773;1.4592,-1.7439,-1.2313;.9272,-.5161,-1.6175;2.6833,-1.7503,-.5749;-1.5373,.4218,.9059;.6707,-2.9959,-1.4128;-1.1977,-1.9087,.221;-.8308,-.851,.9823;-2.3497,-1.73,-.5881;5.1374,2.7876,.8207;4.5644,1.2668,1.4937;5.477,1.2806,-.0185;4.1846,3.7742,-1.2098;4.4232,2.2922,-2.134;2.8273,3.0386,-2.0537;2.8673,3.7182,.9847;1.5036,2.9964,.1377;2.1733,2.1993,1.5592;-5.2444,2.2617,-1.1013;-5.3057,.5647,-.6453;-4.3262,1.0797,-2.024;-3.3059,3.6269,-.8881;-2.2371,2.4618,-1.6606;-1.8436,3.1122,-.0646;-3.3184,2.3726,1.991;-4.6472,1.241,1.7099;-4.7495,2.8959,1.1213;1.1173,1.6007,-1.6052;4.2831,-.6198,.2462;-.017,-.4824,-2.1495;3.1217,-2.6921,-.2659;-.0296,-2.9258,-2.2444;1.3038,-3.8695,-1.5729;-2.7154,-2.5397,-1.2051; 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:.5066,-.8738,2.0332;-.2835,-3.4091,.1181;-1.1597,1.4114,1.5197;-2.6398,.4162,.0782;-3.0212,-.6319,-.637;3.4219,1.9995,-.2194;-3.4878,1.6503,-.0811;2.7869,.6716,-.611;4.7211,1.8128,.5617;3.7278,2.8195,-1.4784;2.4317,2.7694,.6646;-4.6517,1.3503,-1.0209;-2.6554,2.7721,-.7021;-4.0701,2.0569,1.2729;1.5774,.6662,-1.3078;3.3383,-.5642,-.2773;1.4592,-1.7439,-1.2313;.9272,-.5161,-1.6175;2.6833,-1.7503,-.5749;-1.5373,.4218,.9059;.6707,-2.9959,-1.4128;-1.1977,-1.9087,.221;-.8308,-.851,.9823;-2.3497,-1.73,-.5881;5.1374,2.7876,.8207;4.5644,1.2668,1.4937;5.477,1.2806,-.0185;4.1846,3.7742,-1.2098;4.4232,2.2922,-2.134;2.8273,3.0386,-2.0537;2.8673,3.7182,.9847;1.5036,2.9964,.1377;2.1733,2.1993,1.5592;-5.2444,2.2616,-1.1013;-5.3057,.5647,-.6453;-4.3262,1.0797,-2.024;-3.3059,3.6269,-.8881;-2.2371,2.4618,-1.6606;-1.8436,3.1122,-.0646;-3.3184,2.3726,1.991;-4.6472,1.241,1.7099;-4.7495,2.8959,1.1213;1.1173,1.6007,-1.6052;4.2831,-.6198,.2462;-.017,-.4824,-2.1495;3.1217,-2.6921,-.2659;-.0296,-2.9258,-2.2444;1.3038,-3.8695,-1.5729;-2.7154,-2.5397,-1.2051; 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 2667.5894 GEPOL Surface-area 1395.7141 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.4s -1782.29411047 2554.15220144 -4336.44631191 -7520.43019066 3183.98387875 -0.02951496 -3559.04350935 1776.74939889 2.00312071 97.000388918113 97.000388918113 194.000777836226 -132.577910624294 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 -2765.5556 -2420.6695 -522.7509 -395.1133 -393.9418 -283.0927 -282.0765 -281.3943 -281.2520 -281.0079 -280.6016 -279.9303 -279.8666 -279.7824 -279.6025 -279.5646 -279.4938 -279.4826 -279.1556 -279.1532 -279.1495 -279.0048 -279.0013 -278.9659 -260.8241 -219.1837 -199.6653 -199.4311 -199.4027 -163.5174 -163.4135 -163.2453 -32.7116 -31.2865 -27.9787 -26.9769 -26.8477 -25.8383 -25.3182 -24.9890 -24.3074 -23.4271 -23.0331 -21.9764 -21.8931 -21.5964 -21.5660 -21.5476 -20.9368 -20.1200 -19.3601 -19.0585 -18.7555 -18.1556 -17.7533 -16.6856 -16.4140 -16.3002 -15.7547 -15.4548 -15.3675 -15.0163 -14.8454 -14.6601 -14.6397 -14.5640 -14.3929 -14.2923 -14.1889 -14.0007 -13.7140 -13.4764 -13.2018 -13.1884 -13.0382 -12.9819 -12.8764 -12.6501 -12.5416 -12.3795 -12.2996 -12.1937 -12.0422 -11.8567 -11.8071 -11.7384 -11.4597 -11.3433 -11.2554 -11.0897 -10.8901 -10.3382 -9.8309 -9.3299 -9.1728 -8.8346 -8.6044 -0.0499 1.4374 1.5426 1.8170 2.6917 2.9895 3.3158 3.5314 3.9905 4.0246 4.2386 4.3325 4.4463 4.5027 4.6357 4.7559 4.8057 4.8796 5.0427 5.1277 5.2308 5.3126 5.4165 5.4643 5.6515 5.8836 5.9473 6.0958 6.1799 6.2693 6.3952 6.4443 6.5883 6.6344 6.8155 6.8212 6.8654 6.9299 6.9755 7.0025 7.0889 7.1968 7.3347 7.3883 7.5701 7.6589 7.8461 7.9373 8.0166 8.2314 8.3380 8.4692 8.5620 8.6396 8.7724 8.8369 8.9317 9.1792 9.2008 9.2480 9.5594 9.5672 9.7826 10.0082 10.0554 10.1347 10.1711 10.3160 10.3683 10.5207 10.6333 10.7806 10.8512 10.9672 11.0366 11.0882 11.3171 11.4527 11.4821 11.5276 11.7043 11.9445 12.0480 12.1824 12.2346 12.3675 12.4502 12.5395 12.5666 12.6882 12.7484 12.8556 12.9236 13.2166 13.2814 13.4877 13.5393 13.6876 13.7853 13.8504 13.8841 13.9408 14.0946 14.1526 14.2546 14.3291 14.4865 14.5299 14.6357 14.6895 14.7461 14.8575 14.9336 14.9437 14.9756 15.1157 15.1446 15.2350 15.3365 15.4184 15.4774 15.6876 15.7694 15.8095 15.9007 15.9907 16.0847 16.0910 16.2244 16.2913 16.5701 16.7834 16.8482 16.9256 16.9686 17.2081 17.2747 17.3622 17.4659 17.5713 17.8433 17.9114 18.0218 18.4077 18.4819 18.6031 18.7271 18.8444 19.0344 19.1826 19.1894 19.4007 19.4595 19.5993 19.7000 19.9301 20.2085 20.2275 20.3658 20.6828 20.7731 20.7844 21.0850 21.1844 21.2366 21.5368 21.5898 21.6734 21.8951 21.9517 22.0449 22.1976 22.2972 22.5268 22.6993 22.8580 23.0687 23.1530 23.3982 23.4738 23.5216 23.7177 23.7754 23.8828 23.9502 24.2479 24.3702 24.5018 24.6291 24.7066 24.8978 25.0662 25.2744 25.3070 25.5316 25.7705 25.8603 26.0271 26.0789 26.1199 26.2712 26.6351 26.7000 26.9510 27.0787 27.1811 27.4542 27.5242 27.6130 27.7777 27.8466 28.1024 28.2347 28.3080 28.5054 28.6277 28.7867 28.8172 28.9854 29.0518 29.2251 29.3339 29.4296 29.4738 29.6355 29.6983 29.8704 30.1495 30.2777 30.4800 30.6273 30.6718 30.9055 31.1833 31.2730 31.3367 31.3813 31.6029 31.6927 31.7645 31.9818 32.1277 32.1365 32.3506 32.5201 32.6379 32.7213 32.8648 33.1533 33.2217 33.3083 33.5090 33.5678 33.6475 33.9554 34.0261 34.2235 34.3791 34.5900 34.6457 34.9430 35.0458 35.2253 35.2501 35.2953 35.6532 35.6778 35.8726 35.9472 36.1007 36.2358 36.2947 36.5402 36.7163 36.7969 36.9997 37.1592 37.3860 37.4177 37.6324 37.6787 37.7641 38.0176 38.0859 38.4554 38.6227 38.6660 38.7973 38.8509 39.0855 39.1391 39.2186 39.3581 39.4223 39.5254 39.5961 39.6629 40.0657 40.2008 40.2708 40.4822 40.5757 40.7978 41.0767 41.1982 41.3379 41.4560 41.7136 41.7739 41.9150 42.0548 42.1542 42.2972 42.5926 42.7508 42.8277 42.9394 43.0626 43.1632 43.2725 43.5177 43.6297 43.6917 43.8321 43.9386 44.1313 44.3307 44.4081 44.4538 44.5779 44.7250 44.8136 44.8427 44.9920 45.1241 45.1925 45.3228 45.4061 45.6408 45.8268 45.9876 46.0433 46.1952 46.3065 46.4394 46.6071 46.7532 46.8694 47.0050 47.1700 47.1923 47.3416 47.4256 47.5555 47.5880 47.8903 47.9834 48.1384 48.3417 48.5019 48.7753 49.0149 49.1398 49.3253 49.3975 49.5908 49.8557 49.8743 50.1057 50.2092 50.4807 50.5565 50.7037 50.7718 50.9666 51.0544 51.4021 51.6554 51.8753 52.0369 52.2129 52.3372 52.5864 52.8119 53.1020 53.2762 53.6554 53.8769 54.0910 54.1641 54.1885 54.3730 54.9903 55.1550 55.2968 55.4561 55.5100 55.8959 56.0050 56.0655 56.2464 56.6219 57.1028 57.1284 57.4112 57.4642 57.9046 58.1351 58.3122 58.4087 58.8617 59.0074 59.2205 59.3520 59.4201 59.7278 60.0901 60.1287 60.2416 60.3620 60.4809 60.5742 60.7554 61.1342 61.4676 61.5432 61.5922 61.7031 61.9933 62.0473 62.3721 62.4775 62.7330 62.9800 63.1660 63.2492 63.4289 63.6080 63.8218 64.0292 64.3443 64.7903 65.1607 65.2079 65.5640 65.7546 66.1330 66.6698 66.7671 66.8951 67.1012 67.3125 67.6049 67.9489 68.1999 68.4043 68.7200 69.1401 69.5311 69.7202 69.9183 70.0024 70.4916 70.8569 71.0159 71.1760 71.3471 71.5314 71.7175 71.7497 72.2204 72.2798 72.4498 72.6118 73.0171 73.1814 73.4654 73.5458 73.7109 73.8377 74.2760 74.4720 74.6416 74.7734 75.1711 75.2854 75.5161 75.6000 75.8979 76.0256 76.4226 76.6162 76.8207 77.2430 77.3768 77.6026 77.6808 77.7251 77.8161 78.0773 78.2367 78.3130 78.4737 78.6769 78.7219 78.9832 79.3914 79.4378 79.4828 79.6426 79.6853 79.8872 79.9362 80.0816 80.1810 80.3359 80.5707 80.6667 80.7030 80.9221 81.1188 81.2615 81.3570 81.5252 81.6494 81.8396 82.0250 82.0596 82.2561 82.6244 82.7735 82.8782 82.9429 83.2275 83.3133 83.3530 83.5672 83.7040 83.9160 84.1065 84.2238 84.5069 84.6095 84.6279 84.7351 84.9162 85.1437 85.2110 85.2530 85.4327 85.6434 85.8707 85.9360 86.1405 86.2707 86.3702 86.4746 86.6584 86.7351 86.7821 86.9186 86.9685 87.1283 87.2578 87.2915 87.5317 87.6695 87.8211 87.8320 88.0905 88.3219 88.3902 88.6069 88.7117 89.1285 89.2599 89.3229 89.4916 89.5541 89.6728 89.8060 90.0498 90.0850 90.4505 90.4871 90.5964 90.8150 90.8557 91.0433 91.1157 91.2459 91.5773 91.7033 91.8560 91.9882 92.1286 92.2899 92.3223 92.4838 92.7344 92.8718 92.9948 93.1501 93.2922 93.3719 93.3995 93.4496 93.6426 93.8256 93.8602 93.9527 94.0831 94.2768 94.3228 94.4633 94.6900 94.7841 94.8647 94.9404 95.1111 95.2834 95.3438 95.5368 95.6025 95.7288 95.9420 96.0507 96.1234 96.1758 96.3778 96.4959 96.6325 96.7461 96.9034 97.0291 97.1280 97.1638 97.2938 97.5264 97.6099 98.0932 98.2041 98.4090 98.4768 98.6160 98.8767 98.8865 99.1060 99.1256 99.2693 99.5229 99.5744 99.7848 99.8871 100.0526 100.2825 100.3684 100.6463 100.7658 100.9325 101.0348 101.3613 101.4200 101.5596 101.7667 101.8030 101.9750 102.2889 102.6050 102.7468 102.9858 103.1682 103.4799 103.5178 103.6519 103.7577 103.8141 103.9881 104.0423 104.1723 104.5530 104.6250 104.7683 104.9153 105.2915 105.3802 105.6681 105.7304 105.8769 105.9522 106.1116 106.2090 106.2887 106.3738 106.5013 106.7684 106.8430 106.9988 107.1377 107.4053 107.6747 107.7217 107.9064 108.1341 108.5736 108.6173 108.7383 108.9513 109.0980 109.5477 109.6000 109.7180 109.7467 109.8807 109.9199 110.4582 110.5578 110.7780 110.8038 111.0960 111.2018 111.5408 111.5764 111.8372 111.9185 112.0428 112.3613 112.4761 112.7692 113.0755 113.1730 113.4261 113.4540 113.7610 113.8528 113.9266 114.1625 114.3638 114.6786 114.7965 114.8297 114.9212 115.1588 115.4573 115.6870 115.8832 115.9888 116.1174 116.1569 116.2021 116.3073 116.4518 116.4991 116.6749 116.7188 116.7785 116.9008 117.0366 117.1573 117.3368 117.4556 117.5352 117.6299 117.6431 117.7235 117.9057 117.9808 118.1217 118.3869 118.4008 118.4575 118.7284 118.8223 118.8608 118.9947 119.1717 119.2413 119.6322 119.6907 119.9262 120.1148 120.3843 120.5553 120.6101 120.7698 120.9747 121.2155 121.3602 121.5983 121.7862 121.9751 122.0527 122.2498 122.3821 122.6295 122.8588 123.1457 123.4066 123.5154 123.7698 123.8633 124.0558 124.4385 124.5966 124.8492 124.9633 125.5516 125.8003 125.9605 126.3026 126.5202 126.8125 127.0125 127.4746 127.7771 128.0229 128.7414 128.7938 128.9251 129.0989 129.1708 129.2693 129.2972 129.5154 129.7311 130.0065 130.1560 130.4125 130.5664 130.6548 130.8980 131.0193 131.2027 131.3819 131.8732 131.9744 132.1530 132.2395 132.4522 132.5129 132.5830 132.6864 132.7610 133.1786 133.2287 133.5127 133.6441 133.8387 133.9790 134.1715 134.2416 134.3169 134.3464 134.6789 134.7800 134.9220 135.1443 135.8770 136.1013 136.3195 136.3887 136.5224 136.7406 137.2287 137.2948 137.7431 138.8286 138.9919 139.2785 139.4996 139.6602 139.7881 140.0630 141.3710 141.6285 141.9978 142.0808 142.3005 142.5833 142.6965 142.7384 142.8889 143.1066 143.3590 143.6291 143.7841 144.2211 144.5451 144.7664 145.2694 145.4291 145.4561 145.7857 145.8744 145.8935 145.9193 146.1341 146.3640 146.9835 147.1714 147.3583 147.9050 147.9980 148.2453 148.5643 148.6974 149.0683 149.1897 149.2631 149.3040 149.5491 149.6174 149.7299 149.8210 150.1293 150.2220 150.3433 150.5954 150.7471 150.9311 151.0887 151.1134 151.5851 152.1303 152.3008 152.3340 152.4367 152.7838 153.1263 153.2502 154.2532 154.2746 154.2992 154.5318 154.7936 155.1984 155.3624 155.5750 156.2947 156.6691 157.1798 157.6296 157.6840 158.2691 158.3702 158.5032 158.5411 158.7430 158.9619 159.2508 159.4115 159.4485 159.6149 160.0152 160.3288 160.5288 160.6891 160.8581 160.9863 161.4806 161.6390 162.5489 163.7872 164.8697 165.0607 168.0916 170.2129 170.5837 173.1487 175.8871 179.1074 179.2606 181.3785 184.2905 189.0279 189.6795 189.8427 190.5424 190.9054 191.7804 195.9077 198.3448 200.1924 201.3918 223.4415 223.7555 225.3497 227.6702 230.4544 249.2906 258.3217 262.6575 297.9532 298.6781 313.8561 548.6841 617.8349 623.5375 625.0727 627.9453 629.3090 632.5998 635.7050 637.5234 638.3007 638.9321 639.2608 644.5703 646.5937 646.7303 648.3886 648.7765 652.1082 652.2110 658.7992 719.4376 887.5428 900.6360 1202.4149 -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 -0.032115 -0.107475 -0.540013 0.149093 -0.268174 0.365208 0.179426 -0.080464 -0.357677 -0.328454 -0.339197 -0.247545 -0.330427 -0.328826 -0.211412 -0.167340 0.026394 -0.202700 -0.192670 0.324801 -0.128621 0.069130 -0.014912 -0.045532 0.100471 0.100591 0.100606 0.098207 0.101524 0.096575 0.100871 0.094537 0.090004 0.097609 0.101272 0.100589 0.105977 0.107555 0.107279 0.109738 0.107058 0.103213 0.143044 0.145166 0.149789 0.135595 0.140523 0.142545 0.129162 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 17.0321 16.1075 8.5400 6.8509 7.2682 5.6348 5.8206 6.0805 6.3577 6.3285 6.3392 6.2475 6.3304 6.3288 6.2114 6.1673 5.9736 6.2027 6.1927 5.6752 6.1286 5.9309 6.0149 6.0455 0.8995 0.8994 0.8994 0.9018 0.8985 0.9034 0.8991 0.9055 0.9100 0.9024 0.8987 0.8994 0.8940 0.8924 0.8927 0.8903 0.8929 0.8968 0.8570 0.8548 0.8502 0.8644 0.8595 0.8575 0.8708 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 -0.0321 -0.1075 -0.5400 0.1491 -0.2682 0.3652 0.1794 -0.0805 -0.3577 -0.3285 -0.3392 -0.2475 -0.3304 -0.3288 -0.2114 -0.1673 0.0264 -0.2027 -0.1927 0.3248 -0.1286 0.0691 -0.0149 -0.0455 0.1005 0.1006 0.1006 0.0982 0.1015 0.0966 0.1009 0.0945 0.0900 0.0976 0.1013 0.1006 0.1060 0.1076 0.1073 0.1097 0.1071 0.1032 0.1430 0.1452 0.1498 0.1356 0.1405 0.1425 0.1292 1.3108 2.1980 1.9502 3.2403 2.9409 3.5729 3.8254 3.6829 3.9297 3.9165 3.9308 3.8450 3.9070 3.9058 3.9710 3.8856 3.5472 3.9244 4.0062 4.2664 3.9122 3.7937 3.9778 4.1335 1.0070 1.0002 1.0007 1.0033 1.0038 1.0038 1.0080 1.0014 1.0135 1.0042 1.0143 1.0144 1.0041 1.0037 1.0214 1.0210 1.0039 1.0033 0.9997 0.9980 0.9945 1.0077 1.0026 0.9988 1.0129 1.3108 2.1980 1.9502 3.2403 2.9409 3.5729 3.8254 3.6829 3.9297 3.9165 3.9308 3.8450 3.9070 3.9058 3.9710 3.8856 3.5472 3.9244 4.0062 4.2664 3.9122 3.7937 3.9778 4.1335 1.0070 1.0002 1.0007 1.0033 1.0038 1.0038 1.0080 1.0014 1.0135 1.0042 1.0143 1.0144 1.0041 1.0037 1.0214 1.0210 1.0039 1.0033 0.9997 0.9980 0.9945 1.0077 1.0026 0.9988 1.0129 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1740 0.9738 1.0176 1.8061 0.9690 0.9000 1.2199 1.7807 0.9154 0.9030 0.9141 0.8937 0.9371 0.9423 0.9399 1.3475 1.3292 0.9965 0.9968 0.9971 0.9908 0.9910 0.9882 0.9944 0.9899 0.9960 0.9864 0.9922 0.9914 0.9879 0.9862 0.9877 0.9872 0.9881 0.9858 1.4738 0.9893 1.4800 0.9806 1.2939 1.3710 0.9260 1.0099 1.0072 1.0995 1.0067 0.9746 1.5219 1.1748 0.9869 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 -0.030676953 -1782.324787418051 4.20166 -4.82644 -0.62478 31.13944 -31.58691 -0.44747 -13.02202 11.25795 -1.76407 1.92419 4.89090