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:-5.0503,-2.0079,-.0471;1.1147,-.1753,2.8493;-.6873,.2815,1.1706;-.0964,-1.8985,1.2325;-2.933,.7646,-1.5899;-3.8683,-.1223,-1.3587;4.9722,-1.187,.629;4.1379,-1.132,-.6512;4.174,-.9912,1.9159;3.3127,.1416,-.7967;3.0787,-2.0314,2.118;2.5453,.2375,-2.1108;2.0857,-1.6723,3.2101;1.4525,-.8112,-2.262;.0279,-.7776,1.6278;-1.7552,.0965,.3469;-1.88,.9055,-.7968;-.8992,1.9233,-1.2241;-.6864,2.1048,-2.5931;-.2148,2.7403,-.3231;-2.7376,-.8196,.6213;.1926,3.0731,-3.049;.6647,3.7095,-.7849;.873,3.8791,-2.1459;-3.778,-.8796,-.294;5.7463,-.4152,.5822;5.5009,-2.1443,.6693;3.4838,-2.0066,-.7043;4.812,-1.2178,-1.5094;3.7382,.0117,1.9165;4.8548,-1.0178,2.7712;3.9767,1.0075,-.704;2.5956,.2232,.0276;2.5369,-2.2119,1.1885;3.5291,-2.99,2.3913;2.0952,1.2308,-2.1809;3.2439,.1626,-2.9503;1.3934,-2.4863,3.4223;2.5948,-1.433,4.146;.8744,-.6508,-3.1733;.7526,-.7789,-1.4235;1.8568,-1.8233,-2.3103;-1.2038,1.4772,-3.3058;-.3819,2.658,.7411;-2.7239,-1.4514,1.4981;.3499,3.1943,-4.1126;1.1808,4.3403,-.0733;1.5601,4.6357,-2.5013; 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 2569.6623566205 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 7.095e-06 Time for diagonalization 0.426 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.207 sec Total time needed 0.639 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:-5.0503,-2.0079,-.0471;1.1147,-.1753,2.8493;-.6873,.2815,1.1706;-.0964,-1.8985,1.2325;-2.933,.7646,-1.5899;-3.8683,-.1223,-1.3587;4.9722,-1.187,.629;4.1379,-1.132,-.6512;4.174,-.9912,1.9159;3.3127,.1416,-.7967;3.0787,-2.0314,2.118;2.5453,.2375,-2.1108;2.0857,-1.6723,3.2101;1.4525,-.8112,-2.262;.0279,-.7776,1.6278;-1.7552,.0965,.3469;-1.88,.9055,-.7968;-.8992,1.9233,-1.2241;-.6864,2.1048,-2.5931;-.2148,2.7403,-.3231;-2.7376,-.8196,.6213;.1926,3.0731,-3.049;.6647,3.7095,-.7849;.873,3.8791,-2.1459;-3.778,-.8796,-.294;5.7463,-.4152,.5822;5.5009,-2.1443,.6693;3.4838,-2.0066,-.7043;4.812,-1.2178,-1.5094;3.7382,.0117,1.9165;4.8548,-1.0178,2.7712;3.9767,1.0075,-.704;2.5956,.2232,.0276;2.5369,-2.2119,1.1885;3.5291,-2.99,2.3913;2.0952,1.2308,-2.1809;3.2439,.1626,-2.9503;1.3934,-2.4863,3.4223;2.5948,-1.433,4.146;.8744,-.6508,-3.1733;.7526,-.7789,-1.4235;1.8568,-1.8233,-2.3103;-1.2038,1.4772,-3.3058;-.3819,2.658,.7411;-2.7239,-1.4514,1.4981;.3499,3.1943,-4.1126;1.1808,4.3403,-.0733;1.5601,4.6357,-2.5013; 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:-5.0503,-2.0079,-.0471;1.1147,-.1753,2.8493;-.6873,.2815,1.1706;-.0964,-1.8985,1.2325;-2.933,.7646,-1.5899;-3.8683,-.1223,-1.3587;4.9722,-1.187,.629;4.1379,-1.132,-.6512;4.174,-.9912,1.9159;3.3127,.1416,-.7967;3.0787,-2.0314,2.118;2.5453,.2375,-2.1108;2.0857,-1.6723,3.2101;1.4525,-.8112,-2.262;.0279,-.7776,1.6278;-1.7552,.0965,.3469;-1.88,.9055,-.7968;-.8992,1.9233,-1.2241;-.6864,2.1048,-2.5931;-.2148,2.7403,-.3231;-2.7376,-.8196,.6213;.1926,3.0731,-3.049;.6647,3.7095,-.7849;.873,3.8791,-2.1459;-3.778,-.8796,-.294;5.7463,-.4152,.5822;5.5009,-2.1443,.6693;3.4838,-2.0066,-.7043;4.812,-1.2178,-1.5094;3.7382,.0117,1.9165;4.8548,-1.0178,2.7712;3.9767,1.0075,-.704;2.5956,.2232,.0276;2.5369,-2.2119,1.1885;3.5291,-2.99,2.3913;2.0952,1.2308,-2.1809;3.2439,.1626,-2.9503;1.3934,-2.4863,3.4223;2.5948,-1.433,4.146;.8744,-.6508,-3.1733;.7526,-.7789,-1.4235;1.8568,-1.8233,-2.3103;-1.2038,1.4772,-3.3058;-.3819,2.658,.7411;-2.7239,-1.4514,1.4981;.3499,3.1943,-4.1126;1.1808,4.3403,-.0733;1.5601,4.6357,-2.5013; 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 2752 GEPOL Volume 2768.6755 GEPOL Surface-area 1510.4311 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.4s) Overall time for CPCM initialization 1.5s -1856.32004270 2569.66235662 -4425.98239932 -7651.34905732 3225.36665800 -0.02805975 -3706.91480110 1850.59475840 2.00309375 99.999978171613 99.999978171613 199.999956343227 -138.240294585176 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 -2765.6754 -2421.1412 -525.7079 -523.8442 -393.8741 -393.8591 -284.5290 -282.7529 -282.7240 -281.6193 -280.9068 -280.5401 -280.3471 -279.9247 -279.8689 -279.8163 -279.7773 -279.7623 -279.4243 -279.1703 -279.1380 -279.0988 -279.0555 -279.0489 -278.9270 -260.9540 -219.6753 -199.7916 -199.5545 -199.5401 -163.9958 -163.8773 -163.7725 -34.6626 -32.2375 -31.8969 -27.9950 -27.0611 -26.4127 -25.7850 -25.3990 -25.0102 -24.2302 -23.7559 -23.6307 -23.3659 -22.4419 -21.7475 -21.3682 -20.6008 -19.8490 -19.5680 -19.4264 -19.1323 -18.6329 -18.2687 -17.7140 -17.4979 -17.0227 -16.7725 -16.3127 -15.8220 -15.7358 -15.5358 -15.5046 -15.3641 -15.1706 -15.0271 -14.8145 -14.5775 -14.4184 -14.3732 -14.1587 -13.9309 -13.7346 -13.3470 -13.2109 -12.9854 -12.8766 -12.7271 -12.4865 -12.4085 -12.3505 -12.0988 -11.9946 -11.7569 -11.6684 -11.4838 -11.3678 -11.3083 -10.9465 -10.7976 -10.7679 -10.6648 -10.6026 -10.4184 -9.7386 -9.6567 -9.4153 -9.0307 0.1353 0.3148 1.6043 1.8297 2.1061 2.6134 3.0175 3.1881 3.5957 3.7216 3.8230 3.9654 4.0765 4.2746 4.5146 4.5759 4.7364 4.8124 5.0218 5.1330 5.2056 5.3036 5.4096 5.5141 5.6217 5.6659 5.8655 5.8819 6.0830 6.1556 6.2359 6.3619 6.3937 6.5696 6.5947 6.8424 6.9775 7.1598 7.2420 7.3703 7.5363 7.5395 7.7926 7.8677 7.9549 8.0535 8.0971 8.1736 8.2736 8.3930 8.4327 8.4964 8.6286 8.7705 8.7954 8.8381 9.1724 9.2169 9.3124 9.4070 9.4907 9.5133 9.7185 9.9011 10.0964 10.1106 10.1496 10.2584 10.3663 10.4383 10.6080 10.7348 10.8392 10.8603 11.1049 11.2343 11.3379 11.3988 11.4961 11.6214 11.8900 11.9252 11.9507 12.0464 12.2070 12.3936 12.4460 12.5578 12.6727 12.8051 12.8378 12.9489 12.9692 13.0928 13.2385 13.3114 13.4855 13.5254 13.5551 13.7187 13.7417 13.8487 13.9433 14.0249 14.1885 14.2390 14.3102 14.4722 14.5097 14.5873 14.7335 14.7592 14.7879 14.8464 14.9833 15.0089 15.1379 15.1657 15.2413 15.3615 15.4342 15.5223 15.5922 15.7343 15.8482 15.9112 15.9737 16.1140 16.1623 16.1933 16.3616 16.4627 16.4761 16.5879 16.6383 16.7054 16.9013 17.0843 17.1190 17.3213 17.3273 17.4727 17.6334 17.8807 17.9644 18.0335 18.3298 18.5127 18.6492 18.7051 18.8722 19.0005 19.1561 19.2587 19.4148 19.6671 19.7154 19.7959 20.0850 20.1600 20.2036 20.2905 20.4337 20.8131 20.9227 20.9408 21.2136 21.4800 21.5255 21.5666 21.6350 21.7407 22.0405 22.1394 22.3427 22.3521 22.5357 22.7045 22.8286 22.8397 23.0445 23.1515 23.2520 23.3204 23.6195 23.8371 24.0468 24.0945 24.2828 24.4509 24.6363 24.7819 24.8842 25.0907 25.1726 25.3344 25.3993 25.6303 25.7839 25.8920 26.0212 26.3300 26.3905 26.4855 26.6089 26.6867 26.7152 26.9902 27.1271 27.2754 27.3553 27.5146 27.6806 27.8664 28.0624 28.1440 28.3412 28.5094 28.8562 28.9648 29.0372 29.2060 29.4780 29.6386 29.6455 29.7962 29.8994 30.0625 30.2116 30.3709 30.5442 30.8256 30.9207 31.0016 31.0851 31.2504 31.3714 31.5290 31.5978 31.7727 31.9122 32.1349 32.2741 32.4203 32.5787 32.7451 32.7679 32.9511 33.0478 33.0856 33.2516 33.4194 33.4878 33.6002 33.8102 33.9574 34.1475 34.2303 34.2880 34.5661 34.6360 34.8577 34.9763 35.0521 35.4284 35.4538 35.5333 35.8128 35.9128 36.0137 36.0586 36.2826 36.4468 36.6156 36.7977 36.9318 37.1199 37.2249 37.4914 37.6213 37.8450 37.8935 38.0068 38.1311 38.1800 38.2548 38.4378 38.5870 38.7120 38.7182 38.9367 39.0117 39.1360 39.2677 39.4151 39.6430 39.8030 39.8781 40.1301 40.3659 40.4320 40.5380 40.7039 40.7424 40.8789 41.2116 41.2470 41.3417 41.4379 41.6414 41.8999 42.0725 42.2251 42.3200 42.4996 42.6395 42.8254 42.9356 42.9990 43.1931 43.2199 43.2938 43.4229 43.4652 43.6205 43.7702 43.8683 43.9432 44.0137 44.2474 44.3610 44.4684 44.5647 44.8589 44.8916 44.9907 45.1846 45.3586 45.4349 45.4927 45.6821 45.7041 45.8250 46.0377 46.3533 46.4207 46.5114 46.7167 46.8286 47.0311 47.1985 47.2413 47.4121 47.5723 47.7037 47.8592 48.1037 48.1942 48.4972 48.6491 48.8438 48.8885 48.9717 49.1029 49.2816 49.4849 49.6505 49.6856 49.7477 50.0042 50.2442 50.4588 50.6477 50.7986 50.9848 51.1132 51.2738 51.4341 51.4703 51.6994 51.7328 51.8742 52.1666 52.2056 52.4644 52.7405 52.9155 53.1612 53.2247 53.4538 53.6826 53.9504 53.9884 54.1425 54.4987 54.8408 55.0047 55.1053 55.3820 55.7247 56.0140 56.2029 56.2872 56.7344 56.8358 56.9975 57.2861 57.3691 57.4587 57.9190 58.1142 58.3071 58.6093 58.9054 59.1482 59.3829 59.5007 59.5935 59.8322 60.0528 60.1211 60.3136 60.4836 60.7119 60.9047 61.0627 61.1630 61.3507 61.6489 61.9425 62.1066 62.2874 62.4859 62.6706 62.7384 63.0756 63.3013 63.4155 63.4904 63.6550 63.7753 64.0631 64.4781 64.5435 64.8875 65.1043 65.3550 65.3856 65.6282 65.7843 65.9194 66.2200 66.3175 66.4991 66.9379 67.1492 67.3964 67.6620 67.9182 67.9555 68.1959 68.5779 68.7617 69.0474 69.3389 69.9001 70.3474 70.7565 71.1439 71.4647 71.5021 71.6381 71.8542 72.0004 72.2923 72.5434 72.6664 72.8530 73.0155 73.4847 73.6560 73.8937 74.1185 74.3816 74.5318 74.6906 74.8645 74.9854 75.1391 75.4588 75.6508 75.7722 76.2510 76.3561 76.4282 76.6519 76.8201 77.1446 77.2668 77.3058 77.6672 77.7452 77.9200 78.1397 78.2588 78.4794 78.6477 78.8234 78.8893 79.2999 79.4568 79.5435 79.7434 79.9513 80.1221 80.2663 80.3721 80.6496 80.7458 80.8872 80.9713 81.0980 81.5228 81.6183 81.8082 82.1308 82.1609 82.4884 82.6251 82.8143 82.8991 82.9837 83.0960 83.3692 83.4492 83.5787 83.7257 83.8769 83.9554 84.1568 84.1918 84.3259 84.5604 84.7892 84.8208 84.9532 85.0737 85.2306 85.3484 85.4008 85.6601 85.7462 85.9682 86.0049 86.1762 86.3374 86.4427 86.5322 86.7732 86.9262 86.9343 86.9470 87.0952 87.2699 87.3566 87.5224 87.7281 87.7803 87.9645 88.2159 88.2964 88.4041 88.5375 88.6459 88.8113 88.9043 89.0198 89.0401 89.2978 89.4595 89.5379 89.6267 89.7605 89.8315 89.9191 89.9813 90.0813 90.1630 90.2883 90.6123 90.6283 90.9497 91.0426 91.0618 91.0963 91.3571 91.4562 91.7013 91.8415 91.9541 92.0596 92.0754 92.3940 92.4795 92.5588 92.6579 92.7701 92.8884 92.9695 93.1550 93.2872 93.4200 93.4854 93.6849 93.8156 94.0131 94.0870 94.1799 94.2313 94.4028 94.5626 94.5916 94.6850 94.8816 95.1120 95.2286 95.3865 95.5392 95.7913 95.8535 96.0144 96.0858 96.3814 96.4666 96.7080 96.9583 97.0563 97.1263 97.4093 97.6205 97.8047 97.8732 98.1421 98.2503 98.3098 98.4483 98.5324 98.8580 99.0365 99.1942 99.3677 99.5067 99.5893 99.8393 100.1616 100.3829 100.6332 100.7751 100.9111 101.1038 101.2063 101.2853 101.5315 101.6150 101.6796 101.7690 101.9597 102.1486 102.3417 102.6294 102.6762 102.7321 102.9235 103.0522 103.4392 103.5580 103.6534 103.9572 104.1454 104.2701 104.4705 104.5044 104.8344 105.0252 105.1435 105.2440 105.3846 105.4701 105.7012 105.8116 105.9507 106.2051 106.2365 106.3562 106.8470 106.9099 107.0660 107.2644 107.3316 107.6279 107.6397 107.8790 108.2558 108.3247 108.6980 108.7229 108.9506 109.1389 109.2243 109.4267 109.6000 109.8086 109.8656 109.9856 110.2535 110.3862 110.4871 110.6008 110.8560 110.9599 111.1013 111.2838 111.3781 111.5054 111.5727 111.7338 111.8850 112.0291 112.2049 112.6246 112.7124 112.9228 113.0635 113.1194 113.4452 113.6116 113.7211 113.9270 114.0202 114.1805 114.2762 114.3788 114.6377 114.7889 114.9328 115.2430 115.3071 115.5184 115.5912 115.6700 115.7665 116.0555 116.3046 116.4316 116.5037 116.8923 116.9271 117.0500 117.1041 117.4365 117.5753 117.8389 117.8706 118.0659 118.2184 118.4018 118.4788 118.7444 118.7957 118.8350 119.0680 119.2117 119.3530 119.6386 119.7083 119.8910 119.9832 120.0666 120.1904 120.3003 120.5564 120.6449 120.8312 121.0122 121.1807 121.2994 121.4600 121.7159 121.9701 122.1617 122.3847 122.5370 122.5857 122.6296 122.7150 122.9941 123.1058 123.3535 123.6859 123.9974 124.0783 124.4440 124.5164 124.9313 125.6927 125.8545 126.2887 126.4614 126.9128 127.0000 127.2493 127.4415 127.9903 128.1054 128.3432 128.6654 128.9408 129.0183 129.1304 129.6171 129.6775 129.8353 129.9212 130.0407 130.3175 130.6800 130.7494 130.9516 131.1504 131.2599 131.3507 131.5113 131.7104 132.0182 132.2128 132.3601 132.4979 132.8858 133.0931 133.1348 133.3042 133.6854 133.9263 134.1396 134.3954 134.5472 134.8431 135.1191 135.4028 135.7801 136.0946 136.2155 136.4861 136.7234 136.9981 137.1130 137.2651 137.5783 137.6262 137.6857 138.0421 138.5316 138.7898 138.8580 139.0970 139.2866 139.4838 139.5967 139.7446 139.8653 140.0213 140.4818 140.8014 140.9180 141.0964 141.4675 141.7486 141.9589 142.1009 142.5216 142.7093 142.8880 143.2275 143.6290 143.8651 144.5147 144.7192 144.7771 145.1817 145.2535 145.9166 145.9886 146.1891 146.7706 147.9018 148.0204 148.2977 148.4592 148.5822 148.7821 149.2391 149.4615 149.6805 149.9153 150.0366 150.3523 150.7646 150.9908 151.0740 151.3319 151.4967 151.7218 151.9878 152.0644 152.2570 152.4435 152.7256 153.1596 153.2689 153.6952 153.7807 153.8844 154.0860 154.6655 154.6933 154.8834 155.3108 155.3688 155.4466 155.9323 156.2389 156.5131 156.6440 156.8077 157.1945 157.4321 158.0601 158.2952 158.4685 158.5447 158.7646 158.8825 159.3727 159.6046 159.7439 160.0126 160.5769 160.9137 161.5445 161.8831 162.0553 162.1045 162.5975 163.1929 165.8648 167.2196 168.1951 168.4536 169.2139 170.7973 171.9345 172.6719 174.7232 176.4772 178.1995 178.9786 181.7226 184.2680 185.3176 186.9421 188.0508 188.3904 188.6054 188.9486 190.3571 192.3127 192.6859 195.3141 196.3542 198.2172 201.7475 202.9722 205.4854 221.2617 222.5450 223.0860 226.5580 228.9170 247.9038 257.7493 262.4096 294.5196 296.5047 311.8453 546.7119 620.1640 623.8809 626.9360 631.0376 632.0865 634.0837 635.2107 635.3080 636.4918 637.4282 638.0124 640.1549 641.4099 642.5854 642.9933 643.4952 644.1124 648.4120 659.4780 710.2231 881.1088 887.1476 1199.8856 1211.8360 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 -0.047359 -0.047277 -0.277775 -0.411030 -0.146797 -0.210608 -0.160630 -0.129928 -0.133768 -0.100857 -0.159138 -0.085863 -0.117364 -0.283710 0.388019 0.217768 0.220428 0.035886 -0.187938 -0.196258 -0.118497 -0.164412 -0.175168 -0.107766 0.147091 0.074394 0.074189 0.069543 0.075791 0.064084 0.088501 0.080254 0.023708 0.080312 0.095164 0.028992 0.066982 0.132721 0.129934 0.098515 0.052354 0.102071 0.138923 0.146411 0.154134 0.156092 0.159110 0.160772 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 17.0474 16.0473 8.2778 8.4110 7.1468 7.2106 6.1606 6.1299 6.1338 6.1009 6.1591 6.0859 6.1174 6.2837 5.6120 5.7822 5.7796 5.9641 6.1879 6.1963 6.1185 6.1644 6.1752 6.1078 5.8529 0.9256 0.9258 0.9305 0.9242 0.9359 0.9115 0.9197 0.9763 0.9197 0.9048 0.9710 0.9330 0.8673 0.8701 0.9015 0.9476 0.8979 0.8611 0.8536 0.8459 0.8439 0.8409 0.8392 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 -0.0474 -0.0473 -0.2778 -0.4110 -0.1468 -0.2106 -0.1606 -0.1299 -0.1338 -0.1009 -0.1591 -0.0859 -0.1174 -0.2837 0.3880 0.2178 0.2204 0.0359 -0.1879 -0.1963 -0.1185 -0.1644 -0.1752 -0.1078 0.1471 0.0744 0.0742 0.0695 0.0758 0.0641 0.0885 0.0803 0.0237 0.0803 0.0952 0.0290 0.0670 0.1327 0.1299 0.0985 0.0524 0.1021 0.1389 0.1464 0.1541 0.1561 0.1591 0.1608 1.2564 2.4083 2.1360 2.0855 2.9315 2.9367 3.9376 3.8626 3.8532 3.8591 3.8646 3.8807 3.8962 3.9275 4.2081 3.8611 3.8386 3.5131 3.9101 3.9083 3.9925 3.8934 3.8990 3.8462 4.2252 1.0078 1.0084 1.0008 1.0107 1.0108 1.0129 1.0129 1.0323 1.0141 1.0104 1.0308 1.0159 1.0173 1.0066 1.0046 1.0047 1.0031 1.0262 1.0161 1.0118 0.9948 0.9933 0.9887 1.2564 2.4083 2.1360 2.0855 2.9315 2.9367 3.9376 3.8626 3.8532 3.8591 3.8646 3.8807 3.8962 3.9275 4.2081 3.8611 3.8386 3.5131 3.9101 3.9083 3.9925 3.8934 3.8990 3.8462 4.2252 1.0078 1.0084 1.0008 1.0107 1.0108 1.0129 1.0129 1.0323 1.0141 1.0104 1.0308 1.0159 1.0173 1.0066 1.0046 1.0047 1.0031 1.0262 1.0161 1.0118 0.9948 0.9933 0.9887 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.1445 0.9544 1.2384 1.0524 0.9415 1.8724 1.1721 1.5719 1.5899 0.9430 0.9335 1.0122 1.0132 0.9188 1.0096 1.0008 0.9088 1.0126 1.0002 0.9533 1.0020 0.9994 0.9326 1.0233 0.9781 0.9152 1.0134 1.0092 0.9974 0.9721 1.0005 0.9894 0.9962 1.2683 1.5014 0.9250 1.3142 1.3275 1.4460 0.9974 1.4447 0.9888 1.3358 0.9401 1.3819 0.9950 1.3980 0.9871 0.9842 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 -0.028996024 -1856.349038722638 56.43365 -53.94399 2.48966 0.73318 -0.64028 0.09290 -5.37547 7.44586 2.07039 3.23937 8.23383