Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 1 2 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.5897,-1.3694,-.0863;.7316,-2.6008,.7566;-1.5981,-2.101,-.0607;-.8141,-.5253,1.343;-3.5982,.5757,-1.446;-4.8093,.1896,-1.1184;4.0268,1.5419,.5978;4.9786,2.5081,1.2968;3.4875,.4283,1.4887;6.287,1.8741,1.7565;2.4608,-.4285,.7585;7.2453,2.8502,2.4348;1.921,-1.544,1.6365;7.7724,3.9459,1.5182;-.6573,-1.5505,.7477;-2.6775,-1.3312,-.3966;-2.5333,-.1405,-1.1267;-1.2241,.3906,-1.5523;-.3076,-.4086,-2.2336;-.9042,1.7189,-1.2764;-3.9295,-1.7526,-.0487;.9121,.1187,-2.6336;.32,2.2377,-1.6684;1.2307,1.4388,-2.3479;-4.9713,-.9304,-.4607;4.5302,1.1005,-.2694;3.1804,2.1095,.1976;4.4714,2.9562,2.1587;5.1933,3.3329,.612;3.0288,.8665,2.3814;4.3044,-.2073,1.8421;6.7874,1.4148,.8963;6.0737,1.0577,2.4519;1.6409,.2076,.4165;2.9134,-.8629,-.1368;6.7473,3.3034,3.2977;8.0919,2.2881,2.8379;2.7172,-2.2275,1.9369;1.4563,-1.1707,2.5494;6.977,4.5971,1.1535;8.2762,3.523,.6464;8.4941,4.5794,2.036;-.549,-1.4353,-2.4772;-1.6078,2.3432,-.7411;-4.0928,-2.6602,.516;1.6144,-.5061,-3.1691;.563,3.2674,-1.4414;2.1861,1.845,-2.6531; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1482 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1119 ENuc 2429.3036291983 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.696e-06 Time for diagonalization 0.441 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 65.916 sec Total time needed 66.363 sec 17 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.5897,-1.3694,-.0863;.7316,-2.6008,.7566;-1.5981,-2.101,-.0607;-.8141,-.5253,1.343;-3.5982,.5757,-1.446;-4.8093,.1896,-1.1184;4.0268,1.5419,.5978;4.9786,2.5081,1.2968;3.4875,.4283,1.4887;6.287,1.8741,1.7565;2.4608,-.4285,.7585;7.2453,2.8502,2.4348;1.921,-1.544,1.6365;7.7724,3.9459,1.5182;-.6574,-1.5505,.7477;-2.6775,-1.3312,-.3966;-2.5333,-.1405,-1.1267;-1.2241,.3906,-1.5523;-.3076,-.4086,-2.2336;-.9042,1.7189,-1.2764;-3.9295,-1.7526,-.0487;.9121,.1187,-2.6336;.3199,2.2377,-1.6684;1.2307,1.4388,-2.3479;-4.9713,-.9304,-.4607;4.5302,1.1005,-.2694;3.1804,2.1095,.1976;4.4714,2.9562,2.1587;5.1933,3.3329,.612;3.0288,.8665,2.3814;4.3044,-.2073,1.8421;6.7874,1.4148,.8963;6.0737,1.0577,2.4519;1.6409,.2076,.4165;2.9134,-.8629,-.1368;6.7473,3.3034,3.2977;8.0919,2.2881,2.8379;2.7172,-2.2275,1.9369;1.4563,-1.1707,2.5494;6.977,4.5971,1.1535;8.2762,3.523,.6464;8.4941,4.5794,2.036;-.549,-1.4353,-2.4772;-1.6078,2.3432,-.7411;-4.0928,-2.6602,.516;1.6144,-.5061,-3.1691;.563,3.2674,-1.4414;2.1861,1.845,-2.6531; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.5897,-1.3694,-.0863;.7316,-2.6008,.7566;-1.5981,-2.101,-.0607;-.8141,-.5253,1.343;-3.5982,.5757,-1.446;-4.8093,.1896,-1.1184;4.0268,1.5419,.5978;4.9786,2.5081,1.2968;3.4875,.4283,1.4887;6.287,1.8741,1.7565;2.4608,-.4285,.7585;7.2453,2.8502,2.4348;1.921,-1.544,1.6365;7.7724,3.9459,1.5182;-.6573,-1.5505,.7477;-2.6775,-1.3312,-.3966;-2.5333,-.1405,-1.1267;-1.2241,.3906,-1.5523;-.3076,-.4086,-2.2336;-.9042,1.7189,-1.2764;-3.9295,-1.7526,-.0487;.9121,.1187,-2.6336;.32,2.2377,-1.6684;1.2307,1.4388,-2.3479;-4.9713,-.9304,-.4607;4.5302,1.1005,-.2694;3.1804,2.1095,.1976;4.4714,2.9562,2.1587;5.1933,3.3329,.612;3.0288,.8665,2.3814;4.3044,-.2073,1.8421;6.7874,1.4148,.8963;6.0737,1.0577,2.4519;1.6409,.2076,.4165;2.9134,-.8629,-.1368;6.7473,3.3034,3.2977;8.0919,2.2881,2.8379;2.7172,-2.2275,1.9369;1.4563,-1.1707,2.5494;6.977,4.5971,1.1535;8.2762,3.523,.6464;8.4941,4.5794,2.036;-.549,-1.4353,-2.4772;-1.6078,2.3432,-.7411;-4.0928,-2.6602,.516;1.6144,-.5061,-3.1691;.563,3.2674,-1.4414;2.1861,1.845,-2.6531; 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 2811 GEPOL Volume 2790.8590 GEPOL Surface-area 1559.0175 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.6s) Overall time for CPCM initialization 1.7s -1856.32211076 2429.30362920 -4285.62573996 -7370.74344319 3085.11770323 -0.02938871 -3706.92730114 1850.60519038 2.00308922 99.999863337875 99.999863337875 199.999726675750 -138.235101318036 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6971 -2421.1430 -525.6802 -523.8299 -393.9476 -393.8999 -284.4973 -282.8118 -282.6750 -281.6295 -280.9361 -280.5207 -280.3428 -279.9571 -279.9231 -279.8314 -279.8103 -279.8044 -279.4352 -279.1995 -279.1423 -279.1310 -279.0681 -279.0577 -278.9324 -260.9755 -219.6774 -199.8134 -199.5761 -199.5611 -163.9976 -163.8806 -163.7739 -34.6684 -32.1932 -31.9162 -28.0269 -27.0904 -26.4296 -25.7542 -25.4529 -25.0325 -24.2922 -23.8106 -23.6767 -23.3270 -22.3604 -21.7363 -21.4068 -20.5432 -19.8702 -19.5881 -19.3424 -19.0691 -18.7252 -18.2164 -17.9470 -17.5017 -17.1096 -16.8628 -16.2571 -15.9391 -15.9092 -15.5647 -15.5310 -15.1818 -15.1386 -14.9154 -14.8189 -14.6967 -14.4152 -14.2207 -14.0999 -13.8600 -13.8018 -13.4347 -13.2309 -12.9388 -12.8165 -12.7782 -12.5372 -12.4317 -12.3749 -12.0023 -11.8152 -11.7887 -11.6744 -11.6084 -11.4544 -11.1782 -11.0337 -10.9341 -10.8871 -10.7117 -10.5510 -10.4030 -9.8187 -9.7501 -9.3759 -9.1804 0.1912 0.4064 1.3896 1.8170 1.9151 2.6127 2.9585 3.3364 3.5497 3.8273 3.8659 3.9339 4.2225 4.3192 4.4398 4.5803 4.6114 4.7869 4.8480 5.0865 5.1178 5.2489 5.3582 5.3986 5.5569 5.6750 5.7443 5.8089 5.9824 6.0539 6.1366 6.2754 6.3732 6.5308 6.6168 6.6848 6.8753 7.0586 7.1345 7.2396 7.3301 7.4740 7.6643 7.7838 7.8706 7.8997 8.0116 8.0592 8.1701 8.3250 8.3782 8.5697 8.6422 8.7000 8.7319 8.7788 8.9290 9.0643 9.1278 9.2092 9.2636 9.4451 9.5834 9.7027 9.7805 9.9165 10.1550 10.2438 10.3247 10.4521 10.5421 10.6538 10.7986 10.8182 10.9456 11.0048 11.1578 11.1974 11.3344 11.4839 11.5384 11.7035 11.7565 11.8926 11.9434 12.1474 12.1732 12.2888 12.4109 12.5723 12.7246 12.7857 12.9710 13.0202 13.0701 13.1254 13.2215 13.3072 13.3797 13.5577 13.5874 13.7443 13.7928 13.9583 14.0645 14.1268 14.1585 14.2124 14.2549 14.3468 14.4504 14.5298 14.6272 14.7161 14.7607 14.8656 14.8847 15.0360 15.0889 15.1457 15.2947 15.3976 15.4541 15.5103 15.5910 15.7015 15.8200 16.0020 16.0232 16.1571 16.2164 16.2925 16.4016 16.5665 16.5937 16.7660 16.8839 16.9586 17.0271 17.1093 17.1494 17.4825 17.7406 17.8159 17.8939 18.0339 18.0947 18.2195 18.2872 18.5392 18.6172 18.7459 18.9459 19.1094 19.2540 19.3562 19.5072 19.5862 19.8046 19.8858 19.9988 20.0796 20.2681 20.4119 20.5008 20.7241 20.7760 20.8001 21.0673 21.0959 21.3167 21.4035 21.5079 21.6975 21.8505 22.0553 22.0935 22.1749 22.2837 22.5334 22.7439 22.8567 22.8855 23.0118 23.3562 23.4489 23.6271 23.6733 23.8307 24.0694 24.0868 24.1398 24.3317 24.5279 24.5802 24.7702 25.0247 25.2169 25.3971 25.4937 25.8156 25.9281 26.0530 26.2502 26.3286 26.5150 26.6966 26.8191 27.0502 27.1811 27.2654 27.3460 27.5085 27.6491 27.8859 28.0308 28.1976 28.3646 28.5418 28.5988 28.6635 28.7517 28.9713 29.0629 29.2404 29.5935 29.6458 29.7772 30.0773 30.1702 30.4436 30.5808 30.7507 30.8993 30.9492 31.0682 31.1926 31.4928 31.5706 31.6906 31.8054 31.9933 32.2086 32.2740 32.3289 32.5483 32.7102 32.7865 32.9082 32.9886 33.2192 33.2521 33.5715 33.6142 33.7360 33.7883 33.9567 34.1078 34.2778 34.2890 34.4484 34.6401 34.7161 34.8531 34.9909 35.1445 35.3155 35.3779 35.5522 35.6218 35.8234 35.9987 36.0551 36.2176 36.3212 36.3846 36.6216 36.9289 36.9603 36.9958 37.2485 37.3787 37.6141 37.8014 37.8429 38.0386 38.1979 38.2254 38.2665 38.6364 38.7482 38.7841 38.8750 39.1096 39.2326 39.3370 39.3973 39.5987 39.6734 39.7915 39.9227 40.0269 40.3623 40.4853 40.6039 40.9201 41.1012 41.1980 41.3061 41.3667 41.6730 41.7457 41.9342 42.0356 42.1020 42.3126 42.3828 42.4295 42.5023 42.6018 42.7902 42.8979 43.0348 43.1951 43.3944 43.5413 43.6409 43.7414 43.8249 43.9682 44.0224 44.0969 44.3116 44.4935 44.6940 44.7931 44.8010 45.0280 45.2031 45.2904 45.3755 45.4649 45.7137 45.7812 45.9244 46.1394 46.2626 46.3512 46.5042 46.5678 46.8002 46.9235 47.0548 47.1052 47.2881 47.4265 47.5728 47.6888 47.8916 47.9975 48.0938 48.3209 48.4182 48.4884 48.6994 49.0911 49.1202 49.2224 49.3958 49.4278 49.7135 49.8787 49.9893 50.1218 50.3299 50.4386 50.7006 51.0264 51.1277 51.2937 51.5186 51.6703 51.6831 51.7427 51.9417 52.4560 52.5441 52.6662 52.8106 52.9794 53.0941 53.3017 53.5725 53.7911 53.9694 54.0914 54.4262 54.6897 54.8806 55.1096 55.2063 55.5812 55.9009 56.0179 56.1397 56.6726 56.7200 57.1910 57.2658 57.5270 57.8238 58.3467 58.5371 58.7168 58.8135 59.0459 59.1595 59.3409 59.4432 59.6526 59.7962 60.0103 60.1751 60.3663 60.5699 60.7893 60.8933 61.0525 61.1525 61.3460 61.4469 61.8026 62.0227 62.1871 62.3675 62.5529 62.6230 62.9217 63.0372 63.2660 63.3778 63.4138 63.8193 64.5166 64.6010 64.9649 65.1100 65.3029 65.5075 65.5262 65.7769 66.0279 66.3835 66.4746 66.6175 66.8153 67.3425 67.4351 67.5246 67.9104 68.1993 68.4001 68.6418 69.0212 69.2444 69.5071 69.8930 70.1489 70.8112 71.0052 71.1311 71.3198 71.6035 71.9705 72.0350 72.1513 72.5531 72.9551 73.0043 73.2093 73.3721 73.5495 73.9083 73.9376 74.0706 74.2054 74.4556 74.5424 74.8277 75.0715 75.2965 75.4765 75.4851 75.9141 76.1387 76.4356 76.5894 76.7276 76.7739 77.1129 77.1559 77.3877 77.4791 77.7647 77.9051 78.0040 78.3244 78.7128 78.8923 79.0666 79.2236 79.3550 79.5187 79.6356 80.0025 80.1271 80.1623 80.3409 80.6892 80.7347 81.0375 81.1323 81.2455 81.4676 81.5512 81.7561 81.8215 81.9423 82.0281 82.3300 82.5337 82.6948 82.9591 83.0563 83.2269 83.4079 83.6829 83.8572 83.9205 83.9693 84.1394 84.2946 84.3757 84.5028 84.6012 84.7557 84.8789 85.0250 85.3384 85.5095 85.5483 85.6547 85.7228 85.8892 85.8949 85.9735 86.2460 86.3095 86.4733 86.5467 86.7296 86.7995 86.9587 87.1052 87.1232 87.2763 87.5296 87.6261 87.6317 87.8151 88.0510 88.0660 88.3153 88.3506 88.4233 88.5656 88.5978 88.6719 88.7836 88.9862 89.1341 89.3818 89.4266 89.6502 89.7368 89.7853 89.9269 90.0155 90.0847 90.1950 90.4111 90.4879 90.5339 90.6882 90.8073 90.9458 91.0523 91.3451 91.5013 91.5308 91.6078 91.7239 91.8524 91.9231 92.0563 92.2004 92.4240 92.5954 92.6339 92.7287 92.7872 93.0112 93.0789 93.2079 93.2792 93.4911 93.5894 93.7724 93.8909 94.0055 94.1821 94.3715 94.5201 94.7932 94.9059 95.0562 95.1446 95.3895 95.5040 95.5752 95.9366 96.1182 96.2241 96.5274 96.5572 96.7132 96.9294 97.3217 97.3609 97.4722 97.5717 97.7092 97.7904 98.0185 98.2755 98.4756 98.5856 98.7783 99.0009 99.0343 99.1913 99.4755 99.5144 99.6319 99.9697 100.1807 100.3292 100.4566 100.5872 100.7959 100.8047 101.0272 101.2487 101.4997 101.6561 101.7518 101.9202 101.9567 102.0819 102.1621 102.4874 102.6180 102.7926 102.9454 103.1059 103.1736 103.6941 103.7833 103.9180 103.9799 104.1372 104.2432 104.5783 104.7113 104.9667 105.2260 105.3790 105.5014 105.6084 105.8070 105.9033 105.9264 106.1524 106.4652 106.5967 106.8733 107.0120 107.1557 107.4548 107.6366 107.9083 108.0052 108.0767 108.3260 108.4199 108.5476 108.7478 108.8185 109.0043 109.1326 109.2994 109.5779 109.6642 109.8315 109.9231 109.9421 110.1483 110.2853 110.4420 110.6477 110.8188 110.9218 111.0878 111.3190 111.3901 111.4459 111.4935 111.7085 112.0961 112.2201 112.3895 112.4851 112.5153 112.7171 112.9205 113.1124 113.3788 113.4608 113.6203 113.9383 114.0469 114.0806 114.2296 114.4244 114.4652 114.7941 114.9616 115.0488 115.2700 115.4122 115.6414 115.7318 115.9755 116.1660 116.3195 116.4391 116.5403 116.6236 116.7842 116.9383 117.1499 117.2433 117.4087 117.5664 117.7264 117.8283 117.9790 118.1479 118.4128 118.5418 118.7389 118.8858 118.9193 119.0379 119.2182 119.4989 119.6397 119.7923 119.8615 119.9984 120.0974 120.2886 120.5404 120.7073 120.7868 120.8695 121.1272 121.1737 121.3126 121.6158 121.7232 121.8052 122.2357 122.4041 122.6838 122.7428 122.9182 122.9620 123.4370 123.6261 123.7520 124.3383 124.3891 124.6785 124.9979 125.3245 125.7291 125.8802 126.2030 126.7930 126.9608 127.0789 127.1652 127.4724 127.6284 127.9738 128.1660 128.3780 128.9921 129.0645 129.3039 129.4299 129.8080 129.9811 130.1112 130.2618 130.3913 130.6255 130.6607 130.9102 131.1464 131.4418 131.5971 131.7669 131.8860 132.0629 132.1298 132.4099 132.6161 132.7533 133.1180 133.2313 133.4804 134.0410 134.4774 134.5960 134.9280 135.1763 135.2933 135.9272 135.9980 136.1265 136.2911 136.4562 136.5082 136.7396 136.7945 137.0517 137.1796 137.5100 138.0685 138.2080 138.3868 138.7038 138.8482 139.0711 139.5832 139.6485 140.0196 140.1783 140.3707 140.4116 140.5254 140.7210 141.2890 141.3877 141.4933 141.8803 142.2134 142.4915 142.6932 143.0625 143.4631 143.9147 144.1841 144.4246 144.6928 144.8193 145.0752 145.2030 145.6377 145.7642 146.4670 146.5918 147.3118 147.8543 148.2746 148.4739 148.7440 148.9826 149.0466 149.1880 149.3231 149.4036 149.7205 150.1162 150.4197 150.6736 150.9231 151.2484 151.4010 151.6786 151.7604 152.0747 152.4150 152.5883 152.8620 152.8842 153.0993 153.2674 153.7577 153.7978 154.0556 154.2465 154.3039 154.5771 154.8161 155.1882 155.3292 155.5406 155.8580 156.1577 156.3827 156.6653 156.8828 157.1406 157.6676 158.0507 158.2967 158.4499 158.7152 158.9571 159.2126 159.3512 159.5459 159.7868 160.3212 160.5202 160.6153 161.1852 161.5052 161.8368 162.6871 162.9607 165.1720 165.8285 167.7880 168.6795 168.9994 170.4006 172.1045 173.5302 174.1647 176.9982 177.7217 179.2495 181.8406 184.3987 184.9786 185.7393 187.1782 187.7356 188.4081 189.1876 189.8068 191.6474 193.5167 195.4270 195.9117 198.0051 201.1378 202.3688 204.3236 221.2276 222.4264 223.0444 226.4830 228.8643 247.0332 258.2367 262.7099 294.5107 296.4825 311.8368 545.8381 619.7944 622.7034 626.3304 631.0249 631.9538 634.4392 634.6463 635.0309 636.5176 637.6742 637.7152 638.6334 639.4406 641.2056 642.4275 643.3101 643.6020 646.4816 659.4894 710.1428 880.8288 886.9361 1198.9703 1211.1189 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.045837 -0.042171 -0.283709 -0.395091 -0.146284 -0.202536 -0.115988 -0.144635 -0.123376 -0.110490 -0.117135 -0.115853 -0.101455 -0.277129 0.353798 0.173846 0.258546 0.020208 -0.172371 -0.179180 -0.132355 -0.173577 -0.155145 -0.151930 0.154351 0.067331 0.065050 0.061739 0.077886 0.067870 0.071221 0.060805 0.071196 0.042319 0.078557 0.053514 0.068905 0.132473 0.116350 0.079900 0.079040 0.091077 0.158165 0.144149 0.156864 0.158587 0.159453 0.163048 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 17.0458 16.0422 8.2837 8.3951 7.1463 7.2025 6.1160 6.1446 6.1234 6.1105 6.1171 6.1159 6.1015 6.2771 5.6462 5.8262 5.7415 5.9798 6.1724 6.1792 6.1324 6.1736 6.1551 6.1519 5.8456 0.9327 0.9350 0.9383 0.9221 0.9321 0.9288 0.9392 0.9288 0.9577 0.9214 0.9465 0.9311 0.8675 0.8836 0.9201 0.9210 0.9089 0.8418 0.8559 0.8431 0.8414 0.8405 0.8370 17.0000 16.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0458 -0.0422 -0.2837 -0.3951 -0.1463 -0.2025 -0.1160 -0.1446 -0.1234 -0.1105 -0.1171 -0.1159 -0.1015 -0.2771 0.3538 0.1738 0.2585 0.0202 -0.1724 -0.1792 -0.1324 -0.1736 -0.1551 -0.1519 0.1544 0.0673 0.0650 0.0617 0.0779 0.0679 0.0712 0.0608 0.0712 0.0423 0.0786 0.0535 0.0689 0.1325 0.1164 0.0799 0.0790 0.0911 0.1582 0.1441 0.1569 0.1586 0.1595 0.1630 1.2574 2.4152 2.1216 2.1018 2.9485 2.9360 3.8977 3.9195 3.9065 3.8648 3.9019 3.9031 3.8971 3.9276 4.2770 3.8775 3.8128 3.5413 3.8665 3.9670 4.0424 3.8598 3.8846 3.8334 4.2118 1.0076 1.0128 1.0080 1.0091 1.0087 1.0100 1.0080 1.0134 1.0256 1.0119 1.0082 1.0058 1.0088 1.0240 0.9989 1.0003 1.0044 1.0072 1.0152 1.0052 0.9941 0.9925 0.9883 1.2574 2.4152 2.1216 2.1018 2.9485 2.9360 3.8977 3.9195 3.9065 3.8648 3.9019 3.9031 3.8971 3.9276 4.2770 3.8775 3.8128 3.5413 3.8665 3.9670 4.0424 3.8598 3.8846 3.8334 4.2118 1.0076 1.0128 1.0080 1.0091 1.0087 1.0100 1.0080 1.0134 1.0256 1.0119 1.0082 1.0058 1.0088 1.0240 0.9989 1.0003 1.0044 1.0072 1.0152 1.0052 0.9941 0.9925 0.9883 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 1.1414 0.9547 1.2556 1.0480 0.9111 1.9062 1.1658 1.5761 1.5967 0.9593 0.9247 1.0040 1.0088 0.9220 1.0032 1.0098 0.9445 1.0040 1.0077 0.9472 1.0047 1.0047 0.9387 1.0085 0.9883 0.9338 1.0081 1.0103 0.9774 1.0030 0.9929 0.9925 0.9980 1.2441 1.5369 0.9175 1.2967 1.3611 1.4259 0.9983 1.4590 0.9888 1.3224 0.9472 1.3718 1.0008 1.3710 0.9903 0.9917 0 24 1 12 1 14 2 14 2 15 3 14 4 5 4 16 5 24 6 7 6 8 6 25 6 26 7 9 7 27 7 28 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 37 12 38 13 39 13 40 13 41 15 16 15 20 16 17 17 18 17 19 18 21 18 42 19 22 19 43 20 24 20 44 21 23 21 45 22 23 22 46 23 47 -0.025401992 -1856.347512753824 86.68043 -84.00730 2.67313 29.84582 -31.30647 -1.46066 14.06002 -13.38549 0.67453 3.11996 7.93030