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:-2.2534,-2.7693,-1.2378;.0677,-3.2959,.9995;-3.23,-.0528,-1.1602;-1.975,.6854,.6111;-1.0722,.4647,1.553;3.1931,2.4184,-.3711;-2.5155,2.0906,.5494;2.7373,.9637,-.3959;2.0082,3.3011,.0412;4.3365,2.6527,.6144;3.6733,2.8327,-1.7667;-4.0282,2.0773,.7703;-2.1396,2.7245,-.7895;-1.8867,2.9267,1.6597;1.733,.5635,-1.2797;3.2696,-.0115,.4462;1.8036,-1.7068,-.4562;1.2767,-.7441,-1.3139;2.8073,-1.3202,.4227;-2.4005,-.2702,-.288;1.2303,-3.0849,-.4209;-.8263,-1.7914,.8204;-1.7698,-1.5722,-.1244;-.5201,-.6941,1.6668;2.3079,4.3508,.0739;1.1764,3.219,-.66;1.6385,3.0291,1.0319;5.2206,2.0631,.365;4.6291,3.7036,.5912;4.0525,2.4182,1.6417;4.0029,3.8737,-1.7583;4.516,2.2211,-2.0936;2.8866,2.7464,-2.5169;-4.5802,1.6002,-.0333;-4.3762,3.1077,.8397;-4.281,1.5826,1.7087;-2.6198,2.2542,-1.6425;-1.0593,2.6988,-.9407;-2.4447,3.771,-.7772;-2.1153,2.5467,2.6537;-2.3082,3.929,1.5848;-.8061,3.0166,1.5607;1.2857,1.2822,-1.9558;4.0554,.2388,1.1455;.4963,-1.0171,-2.0146;3.2319,-2.0457,1.1067;.7092,-3.3319,-1.3446;1.993,-3.8449,-.2474;.2146,-.7976,2.4532; 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 2538.5328007713 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 5.164e-06 Time for diagonalization 0.258 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 0.540 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:-2.2534,-2.7693,-1.2378;.0677,-3.2959,.9995;-3.23,-.0528,-1.1602;-1.975,.6854,.6111;-1.0722,.4647,1.553;3.1931,2.4184,-.3711;-2.5155,2.0906,.5494;2.7373,.9637,-.3959;2.0082,3.3011,.0412;4.3365,2.6527,.6144;3.6733,2.8327,-1.7667;-4.0282,2.0773,.7703;-2.1396,2.7245,-.7895;-1.8867,2.9267,1.6597;1.733,.5635,-1.2797;3.2696,-.0115,.4462;1.8036,-1.7068,-.4562;1.2767,-.7441,-1.3139;2.8073,-1.3202,.4227;-2.4005,-.2702,-.288;1.2303,-3.0849,-.4209;-.8263,-1.7914,.8204;-1.7698,-1.5722,-.1244;-.5201,-.6941,1.6668;2.3079,4.3508,.0739;1.1764,3.219,-.66;1.6385,3.0291,1.0319;5.2206,2.0631,.365;4.6291,3.7036,.5912;4.0525,2.4182,1.6417;4.0029,3.8737,-1.7583;4.516,2.2211,-2.0936;2.8866,2.7464,-2.5169;-4.5802,1.6002,-.0333;-4.3762,3.1077,.8397;-4.281,1.5826,1.7087;-2.6198,2.2542,-1.6425;-1.0593,2.6988,-.9407;-2.4447,3.771,-.7772;-2.1153,2.5467,2.6537;-2.3082,3.929,1.5848;-.806,3.0166,1.5607;1.2857,1.2822,-1.9558;4.0554,.2388,1.1455;.4963,-1.0171,-2.0146;3.2319,-2.0457,1.1067;.7092,-3.3319,-1.3446;1.993,-3.8449,-.2474;.2146,-.7976,2.4532; 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:-2.2534,-2.7693,-1.2378;.0677,-3.2959,.9995;-3.23,-.0528,-1.1602;-1.975,.6854,.6111;-1.0722,.4647,1.553;3.1931,2.4184,-.3711;-2.5155,2.0906,.5494;2.7373,.9637,-.3959;2.0082,3.3011,.0412;4.3365,2.6527,.6144;3.6733,2.8327,-1.7667;-4.0282,2.0773,.7703;-2.1396,2.7245,-.7895;-1.8867,2.9267,1.6597;1.733,.5635,-1.2797;3.2696,-.0115,.4462;1.8036,-1.7068,-.4562;1.2767,-.7441,-1.3139;2.8073,-1.3202,.4227;-2.4005,-.2702,-.288;1.2303,-3.0849,-.4209;-.8263,-1.7914,.8204;-1.7698,-1.5722,-.1244;-.5201,-.6941,1.6668;2.3079,4.3508,.0739;1.1764,3.219,-.66;1.6385,3.0291,1.0319;5.2206,2.0631,.365;4.6291,3.7036,.5912;4.0525,2.4182,1.6417;4.0029,3.8737,-1.7583;4.516,2.2211,-2.0936;2.8866,2.7464,-2.5169;-4.5802,1.6002,-.0333;-4.3762,3.1077,.8397;-4.281,1.5826,1.7087;-2.6198,2.2542,-1.6425;-1.0593,2.6988,-.9407;-2.4447,3.771,-.7772;-2.1153,2.5467,2.6537;-2.3082,3.929,1.5848;-.8061,3.0166,1.5607;1.2857,1.2822,-1.9558;4.0554,.2388,1.1455;.4963,-1.0171,-2.0146;3.2319,-2.0457,1.1067;.7092,-3.3319,-1.3446;1.993,-3.8449,-.2474;.2146,-.7976,2.4532; 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 2748 GEPOL Volume 2679.6230 GEPOL Surface-area 1421.3504 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.4s -1782.29573721 2538.53280077 -4320.82853798 -7488.32134858 3167.49281060 -0.02706015 -3559.04329508 1776.74755787 2.00312266 97.000305681090 97.000305681090 194.000611362181 -132.577573826664 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 -2765.6847 -2420.7153 -522.7502 -395.1387 -393.9769 -283.1134 -282.0936 -281.4571 -281.2563 -281.0202 -280.6111 -279.9561 -279.9496 -279.8454 -279.6512 -279.6320 -279.5590 -279.5575 -279.1520 -279.1499 -279.1457 -279.0182 -279.0090 -278.9766 -260.9511 -219.2303 -199.7913 -199.5577 -199.5315 -163.5647 -163.4583 -163.2927 -32.7417 -31.3140 -28.0410 -27.0135 -26.8998 -25.8655 -25.3354 -25.0095 -24.3695 -23.4755 -23.0849 -21.9828 -21.9056 -21.6348 -21.5888 -21.5729 -20.9596 -20.1572 -19.4087 -19.0892 -18.7728 -18.1951 -17.7905 -16.7337 -16.4281 -16.3219 -15.7890 -15.4943 -15.3576 -15.0786 -14.8657 -14.6800 -14.6707 -14.5794 -14.4159 -14.2890 -14.2167 -14.0512 -13.7139 -13.4653 -13.3180 -13.2877 -13.0858 -12.9806 -12.8618 -12.6750 -12.5714 -12.4096 -12.3687 -12.2163 -11.9943 -11.9748 -11.7832 -11.7383 -11.4727 -11.3468 -11.2755 -11.1072 -10.9251 -10.4010 -9.8532 -9.4200 -9.1582 -8.9706 -8.6602 -0.1219 1.4148 1.5199 1.8272 2.5826 3.0368 3.4831 3.5797 3.7924 3.9595 4.2744 4.4263 4.4555 4.5746 4.6548 4.7127 4.8328 4.9244 4.9461 5.0532 5.0910 5.2413 5.4013 5.5394 5.6976 5.8217 5.9322 6.0607 6.1797 6.2995 6.4483 6.5335 6.5833 6.6795 6.7689 6.8136 6.8398 6.9261 6.9634 7.0272 7.1673 7.2453 7.3936 7.4837 7.6120 7.7555 7.8058 8.0874 8.1435 8.2740 8.4372 8.4648 8.5851 8.6044 8.8251 9.0693 9.0831 9.1905 9.3429 9.5071 9.6742 9.7425 9.8418 9.9535 10.0667 10.1578 10.2849 10.3944 10.5378 10.6339 10.6765 10.7050 10.9074 10.9707 11.0975 11.2793 11.3515 11.4279 11.6687 11.7073 11.9213 11.9545 12.0283 12.1063 12.2046 12.2760 12.4023 12.4784 12.5679 12.7908 12.8503 12.9733 13.0598 13.1584 13.4664 13.5088 13.6148 13.7232 13.7598 13.9175 13.9883 14.0855 14.2231 14.2339 14.3205 14.4253 14.5288 14.5962 14.6095 14.7081 14.8263 14.8825 14.9075 14.9736 15.0332 15.0871 15.1102 15.2530 15.3077 15.3794 15.4635 15.6442 15.6880 15.7698 15.8710 16.0321 16.0356 16.2869 16.3611 16.4690 16.5585 16.8111 16.9053 16.9799 17.1987 17.2363 17.3268 17.6042 17.6411 17.9170 17.9412 18.1680 18.2360 18.3699 18.4078 18.5606 18.7405 18.7869 19.0239 19.1856 19.3990 19.4470 19.5984 19.8053 19.9758 20.0559 20.2379 20.5208 20.5861 20.7102 20.8781 21.0826 21.1995 21.2501 21.4651 21.5459 21.6548 21.7317 21.9674 21.9775 22.1438 22.2329 22.4275 22.5832 22.6151 22.7378 23.0629 23.1820 23.2448 23.4227 23.5828 23.6539 23.8362 24.0194 24.1527 24.2192 24.2320 24.3920 24.5586 24.6924 24.7239 24.8817 25.3047 25.3640 25.5213 25.7089 25.7796 26.0788 26.1000 26.1950 26.3497 26.5185 26.6966 26.8602 26.9421 27.1058 27.2917 27.4616 27.6169 27.7884 27.9082 27.9533 28.1285 28.2997 28.4432 28.5449 28.8006 28.8470 28.8534 29.0939 29.2176 29.2895 29.4319 29.5838 29.6459 29.8383 29.9828 30.0979 30.2913 30.5243 30.6398 30.7028 30.8588 30.9991 31.1421 31.4179 31.6078 31.7271 31.7987 31.8892 32.0780 32.2554 32.3135 32.4208 32.7008 32.8195 32.9933 33.0718 33.2315 33.3735 33.4621 33.6993 33.8286 33.8389 33.9788 34.0760 34.2143 34.3682 34.5257 34.8280 34.8903 35.0376 35.1177 35.3600 35.5937 35.7124 35.7904 35.8206 35.9785 36.1585 36.1873 36.3546 36.5361 36.6067 36.6880 37.0007 37.2192 37.4162 37.5203 37.6910 37.8325 37.9039 38.1327 38.3039 38.4598 38.5921 38.6561 38.8439 38.9966 39.1464 39.2490 39.3379 39.4353 39.5137 39.6987 39.8138 40.0006 40.1497 40.2917 40.4300 40.6393 40.7193 41.0704 41.2178 41.3097 41.4407 41.5164 41.7044 41.7642 41.9819 42.1204 42.2945 42.3745 42.6304 42.7868 42.9306 43.0560 43.2089 43.3014 43.3999 43.5592 43.6914 43.7895 43.8811 43.9729 44.0296 44.1125 44.3704 44.5364 44.6385 44.7821 44.8718 44.9413 44.9867 45.0784 45.4170 45.4689 45.6139 45.8566 45.9585 46.1235 46.2764 46.3222 46.5487 46.7082 46.7343 46.8488 46.9764 47.1223 47.3165 47.3670 47.5744 47.7492 47.8842 47.9337 48.1338 48.1813 48.3802 48.5811 48.6859 48.8799 48.9826 49.2353 49.3630 49.8005 49.8515 49.9772 50.0376 50.1942 50.5003 50.7123 50.8504 50.9556 51.2480 51.3824 51.4428 51.6410 51.8114 51.9944 52.1022 52.2535 52.3643 52.5799 52.6899 52.8801 53.0703 53.4724 53.6256 53.7359 54.0213 54.1438 54.3543 54.5662 55.0128 55.2725 55.3437 55.6440 55.7617 56.0718 56.1714 56.3543 56.3836 56.7097 56.9640 57.2739 57.4145 57.6821 57.9241 58.2521 58.4221 58.4837 58.9738 59.0865 59.4497 59.6214 59.7687 60.0253 60.2092 60.2793 60.3471 60.4733 60.7393 60.9476 61.0325 61.1614 61.3088 61.4871 61.7047 62.0137 62.0324 62.2952 62.3709 62.5556 62.7623 63.0813 63.2016 63.2748 63.6105 63.8414 63.9277 64.0494 64.3911 64.4798 64.8730 65.2017 65.6225 65.7461 66.2890 66.5542 66.6671 66.9760 67.1851 67.4590 67.6880 67.9788 68.6492 68.9653 69.0268 69.1607 69.5246 69.8170 70.3606 70.5250 70.7931 71.0829 71.2306 71.2958 71.4890 71.7406 72.0154 72.0810 72.3419 72.6800 72.7229 72.9571 73.3336 73.4508 73.6677 73.8165 73.9262 74.2065 74.4535 74.9240 75.0867 75.2332 75.4536 75.7261 75.9572 76.0276 76.3594 76.6084 76.8058 76.9191 77.2828 77.6048 77.7731 77.7781 77.8857 78.0796 78.2193 78.3545 78.4673 78.5778 78.7433 78.7937 79.0614 79.4505 79.4794 79.5561 79.6648 79.6845 79.8647 79.9613 80.1784 80.3419 80.4523 80.5947 80.7875 80.8110 80.9097 80.9975 81.1188 81.3683 81.6497 81.7895 81.8495 81.9866 82.0835 82.3711 82.4926 82.6392 82.8521 82.9939 83.1536 83.3191 83.4628 83.7375 83.8866 84.0683 84.1178 84.1823 84.3292 84.3917 84.5856 84.8423 85.0540 85.1681 85.1936 85.3471 85.4595 85.6369 85.9428 86.0702 86.1840 86.2309 86.2767 86.5341 86.6140 86.6951 86.8360 86.9350 86.9708 87.1238 87.2659 87.3976 87.5116 87.7136 87.9375 87.9830 88.0929 88.2672 88.5416 88.6801 88.9808 89.0914 89.2672 89.3571 89.5689 89.7217 89.7993 89.9169 89.9199 90.1254 90.3259 90.5825 90.6431 90.7253 90.7905 90.9150 91.1645 91.3670 91.4508 91.7001 91.7529 92.0358 92.1261 92.2326 92.3361 92.5426 92.6693 92.7772 93.0174 93.1874 93.2998 93.3640 93.5256 93.5940 93.6622 93.7536 93.7628 93.9786 94.1484 94.2051 94.2742 94.4371 94.5859 94.6943 94.9056 94.9983 95.1014 95.2273 95.4577 95.6091 95.7456 95.7740 96.0049 96.1353 96.2079 96.2767 96.3467 96.4973 96.6136 96.7056 96.8898 96.9877 97.0371 97.2592 97.2980 97.5238 97.7719 97.8515 98.2176 98.4223 98.6042 98.7080 98.7293 99.0208 99.1154 99.1573 99.2952 99.4838 99.6084 99.7628 100.0066 100.2732 100.4594 100.5061 100.6403 100.7456 100.9190 101.0985 101.4249 101.5551 101.7072 101.7987 101.9730 102.1517 102.3345 102.5932 102.8230 102.9198 103.1167 103.4807 103.5494 103.6449 103.8219 103.8964 104.0777 104.1053 104.3678 104.5170 104.6005 104.8228 105.0459 105.2435 105.4756 105.6415 105.8028 106.0059 106.0552 106.1816 106.3609 106.4487 106.5398 106.7199 106.7495 106.8581 107.2405 107.3142 107.3908 107.7864 107.8666 108.0536 108.1949 108.5649 108.7319 108.8570 109.1270 109.2415 109.4699 109.6391 109.7653 109.9092 110.0653 110.1069 110.4443 110.7396 110.8245 110.9065 111.1300 111.4092 111.4894 111.7049 111.9777 112.0796 112.1717 112.4566 112.5965 112.7483 113.0484 113.2085 113.2837 113.6433 113.7493 113.9084 113.9702 114.3546 114.6040 114.6678 114.7860 114.9867 115.1548 115.3396 115.5651 115.7169 115.8668 115.9428 116.0543 116.2193 116.3163 116.4844 116.5630 116.6545 116.7452 116.8274 117.0047 117.1210 117.2252 117.3377 117.4543 117.4984 117.6158 117.7477 117.8626 117.8688 117.9546 118.1637 118.2781 118.4259 118.5482 118.6611 118.7308 118.8987 118.9805 119.0848 119.3078 119.4635 119.6086 119.9131 120.0062 120.2860 120.4108 120.6671 120.7522 120.9225 120.9663 121.1825 121.5028 121.6623 121.7713 121.9268 121.9884 122.2629 122.3146 122.5969 122.9714 123.1872 123.3913 123.5202 123.8387 123.9912 124.0350 124.4176 124.6695 124.9853 125.0314 125.5910 125.7030 125.8901 126.2941 126.3436 126.9548 127.2413 127.4484 127.7657 128.1954 128.8311 128.9889 129.0601 129.2574 129.3087 129.5120 129.6125 129.8221 129.9089 130.0905 130.3406 130.5801 130.6503 130.7490 130.8987 131.3018 131.4014 131.4828 131.8851 131.9713 132.1418 132.3179 132.4340 132.5871 132.7934 132.8723 133.0382 133.3100 133.5330 133.7200 133.7578 133.9550 134.1420 134.2112 134.4261 134.4612 134.7940 134.9875 134.9958 135.3921 135.6353 135.8582 136.1681 136.4097 136.5697 136.6412 136.8277 137.1354 137.6817 137.8548 138.8222 139.0928 139.2142 139.3557 139.7961 139.8853 140.0542 141.3172 141.7780 141.9519 142.1360 142.2157 142.5400 142.7123 142.7775 142.9366 143.1451 143.5123 143.5757 143.6768 144.4026 144.5180 144.7201 145.2735 145.4338 145.5391 145.8112 145.9534 146.0180 146.2382 146.4278 146.6235 147.0082 147.2003 147.5143 147.9479 148.1447 148.4742 148.5910 148.7005 149.1481 149.2190 149.3367 149.4408 149.5624 149.6723 149.9654 150.1868 150.2894 150.4430 150.5941 150.7468 150.9348 151.1655 151.2576 151.6887 151.9868 152.0877 152.3211 152.5526 152.7062 153.0271 153.2101 153.4448 154.2638 154.4120 154.6102 154.7652 154.9896 155.2496 155.4364 156.4419 156.5205 156.9325 157.3225 157.9528 157.9836 158.3337 158.3652 158.6019 158.7416 159.2015 159.3409 159.4436 159.7182 160.1728 160.2269 160.2959 160.4309 160.7494 160.8422 161.1054 161.3397 161.7121 162.3547 162.7992 163.9720 164.8725 165.0917 168.1573 170.0795 170.6981 173.2257 175.9323 179.1248 179.1977 181.3058 184.2849 188.7645 189.0782 189.7283 190.5660 190.8985 191.7991 195.8035 198.1924 200.1727 201.3577 222.4808 223.4269 224.8763 227.3367 229.7944 249.1432 258.4305 263.0724 295.5638 298.2618 313.1594 548.6790 617.7647 623.4811 625.2211 628.2623 629.5848 632.4850 635.6053 637.2700 637.9723 638.7186 639.8791 644.6005 646.7613 646.9338 648.8012 649.0165 652.1975 652.8811 658.7566 716.9234 887.9928 900.5337 1201.2310 -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 -0.036684 -0.101306 -0.532453 0.150077 -0.256625 0.361370 0.167314 -0.071246 -0.363554 -0.358456 -0.331112 -0.327242 -0.323609 -0.242647 -0.244982 -0.148281 0.045930 -0.175384 -0.203064 0.361511 -0.153983 0.133317 -0.098889 -0.078545 0.104519 0.101430 0.106564 0.103725 0.101064 0.099723 0.097738 0.102647 0.097722 0.109036 0.103723 0.107484 0.111961 0.092623 0.107961 0.103456 0.099081 0.094571 0.145102 0.147587 0.144348 0.137068 0.134791 0.146835 0.127783 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 17.0367 16.1013 8.5325 6.8499 7.2566 5.6386 5.8327 6.0712 6.3636 6.3585 6.3311 6.3272 6.3236 6.2426 6.2450 6.1483 5.9541 6.1754 6.2031 5.6385 6.1540 5.8667 6.0989 6.0785 0.8955 0.8986 0.8934 0.8963 0.8989 0.9003 0.9023 0.8974 0.9023 0.8910 0.8963 0.8925 0.8880 0.9074 0.8920 0.8965 0.9009 0.9054 0.8549 0.8524 0.8557 0.8629 0.8652 0.8532 0.8722 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 -0.0367 -0.1013 -0.5325 0.1501 -0.2566 0.3614 0.1673 -0.0712 -0.3636 -0.3585 -0.3311 -0.3272 -0.3236 -0.2426 -0.2450 -0.1483 0.0459 -0.1754 -0.2031 0.3615 -0.1540 0.1333 -0.0989 -0.0785 0.1045 0.1014 0.1066 0.1037 0.1011 0.0997 0.0977 0.1026 0.0977 0.1090 0.1037 0.1075 0.1120 0.0926 0.1080 0.1035 0.0991 0.0946 0.1451 0.1476 0.1443 0.1371 0.1348 0.1468 0.1278 1.3070 2.2140 1.9703 3.2212 2.9312 3.5931 3.8288 3.6970 3.9326 3.9274 3.9183 3.9003 3.9108 3.8514 3.9989 3.8843 3.5130 3.9516 4.0089 4.2540 3.9232 3.7947 3.9418 4.1311 1.0084 0.9943 0.9996 1.0001 1.0069 1.0007 1.0033 1.0033 1.0030 1.0222 1.0026 1.0040 1.0249 1.0047 1.0037 1.0152 1.0045 1.0132 1.0009 0.9966 0.9980 1.0103 1.0052 0.9990 1.0204 1.3070 2.2140 1.9703 3.2212 2.9312 3.5931 3.8288 3.6970 3.9326 3.9274 3.9183 3.9003 3.9108 3.8514 3.9989 3.8843 3.5130 3.9516 4.0089 4.2540 3.9232 3.7947 3.9418 4.1311 1.0084 0.9943 0.9996 1.0001 1.0069 1.0007 1.0033 1.0033 1.0030 1.0222 1.0026 1.0040 1.0249 1.0047 1.0037 1.0152 1.0045 1.0132 1.0009 0.9966 0.9980 1.0103 1.0052 0.9990 1.0204 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.1658 0.9741 1.0444 1.8573 0.9705 0.8996 1.2002 1.7767 0.9188 0.8996 0.9036 0.9130 0.9358 0.9456 0.9360 1.3508 1.3379 0.9989 0.9865 0.9905 0.9989 0.9957 0.9958 0.9900 0.9919 0.9882 0.9887 0.9852 0.9881 0.9949 0.9855 0.9863 0.9944 0.9894 0.9895 1.5063 0.9912 1.4806 0.9737 1.2892 1.3656 0.9162 0.9939 1.0058 1.0729 1.0139 0.9727 1.5508 1.1380 0.9968 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 -0.030847121 -1782.326584327949 20.29892 -18.56364 1.73528 44.35802 -43.37174 0.98628 2.46616 -1.61151 0.85465 2.17126 5.51892