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:-6.2533,-1.5581,-.3173;.9974,-2.5461,.736;-1.2193,-1.9136,-.2468;-.745,-.7307,1.6068;-3.3925,.8362,-1.1345;-4.5769,.3052,-.9381;3.4362,1.5112,1.1827;4.4476,1.1919,.0865;2.383,.4284,1.3962;5.3205,2.3819,-.3026;2.9638,-.8996,1.86;6.1629,2.9639,.8307;1.9313,-1.9649,2.187;7.133,1.9664,1.4479;-.4364,-1.5607,.8031;-2.3506,-1.175,-.4645;-2.2827,.1468,-.9276;-1.0111,.8448,-1.1934;-.8097,2.1222,-.6731;-.0246,.2646,-1.9895;-3.5727,-1.7482,-.2568;.3616,2.8106,-.9473;1.1417,.9623,-2.2693;1.3375,2.2345,-1.75;-4.6663,-.9355,-.5304;2.9245,2.4462,.9315;3.9549,1.6978,2.1286;3.9118,.8469,-.8042;5.0817,.3542,.3906;1.8282,.2851,.4632;1.6602,.7796,2.1374;4.6811,3.171,-.7121;5.9872,2.0806,-1.117;3.6602,-1.2958,1.1174;3.5489,-.7409,2.7716;6.7264,3.816,.4413;5.513,3.3707,1.6104;2.4178,-2.862,2.5702;1.2215,-1.637,2.9465;7.7892,1.532,.6906;6.6152,1.1436,1.9438;7.7676,2.4443,2.1956;-1.5667,2.5758,-.0464;-.1737,-.7178,-2.4191;-3.677,-2.7618,.105;.5116,3.7996,-.5348;1.8969,.5102,-2.8984;2.2501,2.7748,-1.9665; 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 2502.1392554691 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 6.425e-06 Time for diagonalization 0.431 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.211 sec Total time needed 0.648 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:-6.2533,-1.5581,-.3173;.9974,-2.5461,.736;-1.2193,-1.9136,-.2468;-.745,-.7307,1.6068;-3.3925,.8362,-1.1345;-4.5769,.3052,-.9381;3.4362,1.5112,1.1827;4.4476,1.1919,.0865;2.383,.4284,1.3962;5.3205,2.3819,-.3026;2.9638,-.8996,1.86;6.1629,2.9639,.8307;1.9313,-1.9649,2.187;7.133,1.9664,1.4479;-.4364,-1.5607,.8031;-2.3506,-1.175,-.4645;-2.2827,.1468,-.9276;-1.0111,.8448,-1.1934;-.8097,2.1222,-.6731;-.0246,.2646,-1.9895;-3.5727,-1.7482,-.2568;.3616,2.8106,-.9473;1.1417,.9623,-2.2693;1.3375,2.2345,-1.75;-4.6663,-.9355,-.5304;2.9245,2.4462,.9315;3.9549,1.6978,2.1286;3.9118,.8469,-.8042;5.0817,.3542,.3906;1.8282,.2851,.4632;1.6602,.7796,2.1374;4.6811,3.171,-.7121;5.9872,2.0806,-1.117;3.6602,-1.2958,1.1174;3.5489,-.7409,2.7716;6.7264,3.816,.4413;5.513,3.3707,1.6104;2.4178,-2.862,2.5702;1.2215,-1.637,2.9465;7.7892,1.532,.6906;6.6152,1.1436,1.9438;7.7676,2.4443,2.1956;-1.5667,2.5758,-.0464;-.1737,-.7178,-2.4191;-3.677,-2.7618,.105;.5116,3.7996,-.5348;1.8969,.5102,-2.8984;2.2501,2.7748,-1.9665; 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:-6.2533,-1.5581,-.3173;.9974,-2.5461,.736;-1.2193,-1.9136,-.2468;-.745,-.7307,1.6068;-3.3925,.8362,-1.1345;-4.5769,.3052,-.9381;3.4362,1.5112,1.1827;4.4476,1.1919,.0865;2.383,.4284,1.3962;5.3205,2.3819,-.3026;2.9638,-.8996,1.86;6.1629,2.9639,.8307;1.9313,-1.9649,2.187;7.133,1.9664,1.4479;-.4364,-1.5607,.8031;-2.3506,-1.175,-.4645;-2.2827,.1468,-.9276;-1.0111,.8448,-1.1934;-.8097,2.1222,-.6731;-.0246,.2646,-1.9895;-3.5727,-1.7482,-.2568;.3616,2.8106,-.9473;1.1417,.9623,-2.2693;1.3375,2.2345,-1.75;-4.6663,-.9355,-.5304;2.9245,2.4462,.9315;3.9549,1.6978,2.1286;3.9118,.8469,-.8042;5.0817,.3542,.3906;1.8282,.2851,.4632;1.6602,.7796,2.1374;4.6811,3.171,-.7121;5.9872,2.0806,-1.117;3.6602,-1.2958,1.1174;3.5489,-.7409,2.7716;6.7264,3.816,.4413;5.513,3.3707,1.6104;2.4178,-2.862,2.5702;1.2215,-1.637,2.9465;7.7892,1.532,.6906;6.6152,1.1436,1.9438;7.7676,2.4443,2.1956;-1.5667,2.5758,-.0464;-.1737,-.7178,-2.4191;-3.677,-2.7618,.105;.5116,3.7996,-.5348;1.8969,.5102,-2.8984;2.2501,2.7748,-1.9665; 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 2823 GEPOL Volume 2776.1734 GEPOL Surface-area 1531.7096 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 2.7s) Overall time for CPCM initialization 2.9s -1856.32159494 2502.13925547 -4358.46085041 -7516.52462206 3158.06377165 -0.02989086 -3706.92851530 1850.60692035 2.00308800 99.999957844333 99.999957844333 199.999915688666 -138.238426494259 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 -2765.6988 -2421.1397 -525.6585 -523.8159 -393.9451 -393.9100 -284.4989 -282.8120 -282.6473 -281.6218 -280.9415 -280.5202 -280.3396 -279.9563 -279.9263 -279.8305 -279.8067 -279.7996 -279.4441 -279.1662 -279.1208 -279.0936 -279.0812 -279.0425 -278.9376 -260.9772 -219.6745 -199.8151 -199.5779 -199.5629 -163.9931 -163.8775 -163.7721 -34.6649 -32.1762 -31.9119 -28.0295 -27.0904 -26.4272 -25.7530 -25.4534 -25.0261 -24.2391 -23.8013 -23.6725 -23.2788 -22.3481 -21.7636 -21.4993 -20.4883 -19.9262 -19.6178 -19.4926 -19.1715 -18.5182 -18.2245 -17.6102 -17.5053 -17.1395 -16.9099 -16.2813 -15.9575 -15.8406 -15.5797 -15.4961 -15.2426 -15.1399 -14.9230 -14.8977 -14.5949 -14.4098 -14.2586 -14.2286 -14.1206 -13.5448 -13.3849 -13.2222 -12.8509 -12.7946 -12.7594 -12.6340 -12.4590 -12.2858 -12.0023 -11.9373 -11.7631 -11.6260 -11.5733 -11.3816 -11.2446 -11.0581 -10.8986 -10.7282 -10.6811 -10.6058 -10.4250 -9.8294 -9.6961 -9.4176 -9.1777 0.1831 0.4055 1.4688 1.8153 1.9362 2.6217 2.9567 3.2160 3.5391 3.6747 3.7628 4.0341 4.2516 4.3392 4.4872 4.6173 4.7175 4.7572 4.9517 5.0314 5.2032 5.3022 5.4019 5.4255 5.4952 5.6258 5.8224 5.9474 6.0452 6.1714 6.2192 6.3192 6.5009 6.5587 6.6500 6.9608 7.0293 7.0660 7.1141 7.2903 7.4008 7.4843 7.5258 7.7261 7.8794 7.9115 8.0021 8.1721 8.2214 8.3031 8.4842 8.5794 8.6473 8.7905 8.8772 8.9825 9.0451 9.1979 9.2193 9.3607 9.4474 9.6574 9.7592 9.8058 9.8897 10.0733 10.1347 10.1653 10.2523 10.4216 10.5247 10.5768 10.6783 10.8805 10.9728 11.1174 11.1733 11.2809 11.3162 11.4811 11.6432 11.8320 11.8769 11.9418 12.0748 12.1413 12.2978 12.4451 12.5494 12.7111 12.7582 12.8707 12.9131 13.1773 13.2100 13.2476 13.4240 13.5014 13.5945 13.6728 13.7585 13.7946 13.8873 14.0216 14.0833 14.2130 14.2864 14.3034 14.3984 14.4438 14.5663 14.5928 14.7443 14.8290 14.8888 15.0105 15.0639 15.1644 15.1925 15.2224 15.2786 15.3493 15.4652 15.6480 15.8165 15.8786 15.9939 16.1305 16.2186 16.3604 16.3727 16.4909 16.5549 16.6840 16.7947 16.8228 16.9262 17.0068 17.1848 17.3017 17.4173 17.4996 17.7483 17.8451 18.0609 18.1320 18.1990 18.3422 18.4839 18.6104 18.7486 18.9693 19.0113 19.1669 19.2999 19.4148 19.5638 19.6368 19.7284 19.8867 20.0682 20.4439 20.5451 20.6286 20.6806 20.9400 21.0118 21.1675 21.1886 21.4872 21.5849 21.6277 21.7762 21.8371 21.9949 22.1442 22.3342 22.5591 22.6444 22.7164 22.7625 23.0377 23.2521 23.4035 23.6798 23.8094 23.8371 24.0321 24.1323 24.3053 24.5287 24.5429 24.6317 24.8905 25.0160 25.2998 25.3840 25.4705 25.6278 25.7822 25.9482 26.0396 26.0676 26.2567 26.6793 26.7500 26.8687 27.0109 27.1507 27.3064 27.5037 27.5908 27.6852 27.9078 27.9354 28.0752 28.3526 28.4479 28.6512 28.7546 28.9203 29.1080 29.2413 29.4201 29.5626 29.7044 29.8380 30.0465 30.0895 30.3279 30.5400 30.7522 30.8437 30.9420 31.0933 31.1483 31.2762 31.4454 31.7561 31.8521 31.9762 32.1064 32.2416 32.3239 32.3615 32.4924 32.7067 32.8565 32.9345 33.1248 33.1513 33.3897 33.4747 33.6349 33.6919 33.9789 33.9951 34.1565 34.4847 34.5950 34.7791 34.9070 35.0175 35.1367 35.1981 35.4270 35.5872 35.6737 35.8843 36.0311 36.1134 36.2887 36.3266 36.5889 36.7856 36.8213 36.9744 37.0408 37.1893 37.4392 37.7203 37.8178 37.8776 38.0364 38.2067 38.2497 38.4669 38.5455 38.6676 38.8680 39.0567 39.1259 39.2863 39.4071 39.5936 39.6427 39.8128 39.8507 40.1087 40.2657 40.3876 40.5986 40.8461 40.8845 40.9609 41.0617 41.2528 41.5031 41.5883 41.7567 41.8934 42.0654 42.1126 42.3003 42.3806 42.3951 42.6077 42.6976 42.8992 43.0299 43.1122 43.2286 43.3569 43.5165 43.5962 43.7430 43.9182 44.0241 44.1557 44.2064 44.3040 44.5058 44.6215 44.7496 44.9450 45.0013 45.1476 45.3004 45.4737 45.6921 45.9322 46.0718 46.1589 46.2253 46.3049 46.3930 46.5838 46.6679 46.8167 46.8852 47.1891 47.2046 47.4587 47.4943 47.6852 47.9009 48.0385 48.1378 48.2626 48.4494 48.5946 48.6787 48.8647 49.0239 49.1245 49.3587 49.4517 49.6772 49.7922 49.9836 50.1783 50.2423 50.4923 50.6695 50.7232 50.9544 51.0611 51.4491 51.5661 51.6039 51.8097 52.0249 52.1598 52.3155 52.4480 52.5915 52.6847 53.0659 53.2846 53.3248 53.4443 53.9604 54.0018 54.1796 54.3725 54.4761 54.7894 55.0667 55.2896 55.4483 55.5920 55.8532 56.1412 56.4701 56.5520 56.8133 57.3122 57.4829 57.7088 57.8278 58.0962 58.4739 58.6537 58.9616 59.1011 59.1702 59.3215 59.4974 59.8204 59.8956 60.0287 60.1501 60.1719 60.4087 60.4627 60.8124 60.9734 61.1760 61.2304 61.4343 61.6893 61.9133 62.1909 62.4882 62.6177 62.7875 63.0366 63.0718 63.3225 63.4656 63.9444 64.1942 64.3283 64.6164 65.0204 65.1767 65.4227 65.5238 65.5823 65.7433 66.0352 66.0984 66.5398 66.6395 66.7144 66.9173 67.1120 67.4897 67.6522 68.0353 68.1255 68.5052 68.6889 69.1685 69.4491 70.0579 70.3205 70.7413 70.9240 70.9794 71.2652 71.3876 71.6571 71.9302 72.2183 72.2368 72.7022 72.9535 73.0688 73.3366 73.5096 73.6590 73.8941 74.1413 74.2391 74.4356 74.4808 74.8108 75.0053 75.2295 75.3771 75.6044 75.7347 75.9400 75.9763 76.3270 76.5984 76.7515 76.9614 77.2399 77.3413 77.5508 77.6148 77.8399 77.9871 78.1748 78.5059 78.5864 78.8876 79.2380 79.5137 79.5842 79.7560 79.8566 80.0164 80.1217 80.3115 80.4774 80.5998 80.8348 81.1726 81.2038 81.5068 81.5850 81.7444 81.9600 82.0130 82.2948 82.3182 82.6125 82.8192 83.0098 83.2055 83.2668 83.3943 83.6293 83.6959 83.8277 84.0134 84.1135 84.3266 84.3862 84.4268 84.5384 84.8305 84.8385 85.0490 85.1582 85.2647 85.3651 85.5887 85.7803 85.9620 86.0243 86.1752 86.2728 86.4150 86.6120 86.7323 86.8057 86.8562 87.0511 87.1384 87.1734 87.2991 87.5733 87.6570 87.7905 87.8487 87.8802 88.0468 88.2330 88.3104 88.4093 88.5449 88.8052 88.8590 89.0191 89.2108 89.3175 89.3575 89.4127 89.6428 89.7584 89.8954 89.9468 90.0111 90.1956 90.3225 90.4926 90.5670 90.6134 90.6851 90.9833 91.0452 91.1382 91.4832 91.5525 91.7087 91.7890 91.8659 91.9476 92.1792 92.4261 92.4476 92.5488 92.6891 92.7753 92.8862 93.0597 93.1997 93.3672 93.4128 93.6893 93.9927 94.1267 94.2507 94.3662 94.4777 94.5942 94.7047 94.9899 95.0682 95.1849 95.2571 95.4908 95.5158 95.6643 95.7743 95.8392 96.1324 96.2072 96.5043 96.5408 96.8510 97.0527 97.3199 97.4641 97.5428 97.5691 97.8373 97.9284 98.0542 98.1263 98.3710 98.5691 98.6859 98.8296 98.9643 99.2329 99.3300 99.5574 99.6409 99.7860 99.9424 100.2507 100.5275 100.6209 100.8255 101.1181 101.4158 101.4671 101.4837 101.6738 101.8462 101.9021 101.9705 102.1017 102.2717 102.4189 102.6234 102.8747 102.9181 103.1775 103.1935 103.3660 103.5230 103.6224 104.0517 104.1127 104.2204 104.3357 104.7328 104.8463 104.9992 105.2586 105.4150 105.5425 105.7349 105.8203 105.8966 106.0453 106.2778 106.4524 106.6188 106.9155 107.0540 107.2938 107.5984 107.6951 107.8138 108.0179 108.0313 108.5701 108.6312 108.7296 108.8833 109.0142 109.0422 109.1830 109.2480 109.5916 109.9406 110.0246 110.0415 110.3253 110.3933 110.5887 110.6345 110.8676 110.9339 111.0968 111.2928 111.4506 111.4704 111.6513 111.7504 111.8635 112.1929 112.3113 112.5007 112.8467 113.0414 113.0616 113.2842 113.5677 113.7136 113.9268 114.0575 114.1127 114.3444 114.4186 114.4637 114.6556 114.9362 115.0442 115.2652 115.3597 115.3954 115.5876 115.7138 115.8209 116.2797 116.4076 116.5568 116.6855 116.8367 116.9443 117.0559 117.3489 117.4305 117.5647 117.7416 117.9357 118.0863 118.2780 118.4486 118.7155 118.8197 118.9395 119.0777 119.2734 119.3554 119.5404 119.6138 119.7266 119.8283 120.0024 120.0509 120.2220 120.5318 120.8125 120.9027 121.0623 121.1072 121.3081 121.3852 121.4180 121.6329 121.7816 122.0644 122.2813 122.4385 122.5454 122.7011 122.8333 123.0887 123.1426 123.5613 124.0079 124.3905 124.6154 124.8801 125.1572 125.5350 125.7856 126.0247 126.4579 126.7063 126.8114 127.3447 127.7403 128.0292 128.1490 128.2429 128.3213 128.7611 128.8801 129.1011 129.5080 129.6515 129.7683 130.0143 130.0896 130.3898 130.4772 130.5629 130.7345 130.9149 130.9533 131.2578 131.3307 131.7541 131.9177 131.9915 132.2773 132.5179 132.5262 132.8634 133.2285 133.2836 133.5093 133.9230 134.2836 134.5975 134.6809 134.9351 135.1430 135.3267 135.6210 135.9994 136.0334 136.1356 136.5760 136.8148 136.9948 137.1041 137.2636 137.5616 137.6499 138.1689 138.4746 138.5161 138.8624 139.0242 139.1809 139.3641 139.5462 139.6803 140.1713 140.2200 140.3536 140.5282 140.7643 141.0261 141.3867 141.5257 142.1066 142.3329 142.6223 142.7664 143.3057 143.3501 143.6286 144.0310 144.2725 144.6259 144.7807 145.2199 145.2848 145.7333 146.0078 146.5436 146.8189 147.5388 147.7427 147.9466 148.5415 148.8146 148.8760 148.9543 149.3219 149.4516 149.5734 150.1655 150.2090 150.5287 150.7481 150.9672 151.3200 151.4781 151.5580 151.6929 151.8502 152.0975 152.6671 152.7875 153.0996 153.1638 153.3943 153.7705 153.8677 154.1503 154.3632 154.6900 154.9695 155.0502 155.0942 155.3332 155.7727 156.1746 156.2700 156.6599 156.8744 157.1533 157.5300 157.9363 158.2363 158.4147 158.4324 158.7888 159.1267 159.3400 159.5048 159.8555 159.9252 160.2967 160.6339 160.7708 161.1395 161.7618 162.1463 163.1470 163.6065 165.0519 165.9914 167.9059 168.8443 169.0190 170.3544 172.2140 173.6581 174.2847 177.0670 177.9368 179.2550 182.2481 184.4205 185.0407 185.7616 186.9902 187.8201 188.2476 189.0747 190.2451 191.7367 193.9291 195.2918 195.8882 198.0703 200.9070 202.1200 204.4942 221.2283 222.4305 223.0524 226.4873 228.8631 247.0371 257.3101 262.7722 294.5124 296.4836 311.8426 545.8691 619.8549 623.9276 626.4757 631.5292 632.0928 634.3962 634.5154 635.1481 636.5350 637.7525 638.6765 639.8151 640.6691 642.7158 643.6019 643.7461 645.3232 647.2302 659.5070 710.1931 880.8172 886.9265 1199.0523 1211.1832 -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 -0.045708 -0.044001 -0.287135 -0.400540 -0.149578 -0.199973 -0.154460 -0.152405 -0.073451 -0.148084 -0.121123 -0.112772 -0.117352 -0.279293 0.356665 0.163955 0.255550 0.025297 -0.170047 -0.167435 -0.123158 -0.184716 -0.162283 -0.132773 0.152404 0.081074 0.084762 0.078900 0.083212 -0.017618 0.085683 0.065001 0.075482 0.078096 0.081251 0.071783 0.062309 0.134977 0.115589 0.082025 0.077961 0.093539 0.143654 0.154240 0.156596 0.158091 0.157543 0.168264 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 17.0457 16.0440 8.2871 8.4005 7.1496 7.2000 6.1545 6.1524 6.0735 6.1481 6.1211 6.1128 6.1174 6.2793 5.6433 5.8360 5.7444 5.9747 6.1700 6.1674 6.1232 6.1847 6.1623 6.1328 5.8476 0.9189 0.9152 0.9211 0.9168 1.0176 0.9143 0.9350 0.9245 0.9219 0.9187 0.9282 0.9377 0.8650 0.8844 0.9180 0.9220 0.9065 0.8563 0.8458 0.8434 0.8419 0.8425 0.8317 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 -0.0457 -0.0440 -0.2871 -0.4005 -0.1496 -0.2000 -0.1545 -0.1524 -0.0735 -0.1481 -0.1211 -0.1128 -0.1174 -0.2793 0.3567 0.1640 0.2556 0.0253 -0.1700 -0.1674 -0.1232 -0.1847 -0.1623 -0.1328 0.1524 0.0811 0.0848 0.0789 0.0832 -0.0176 0.0857 0.0650 0.0755 0.0781 0.0813 0.0718 0.0623 0.1350 0.1156 0.0820 0.0780 0.0935 0.1437 0.1542 0.1566 0.1581 0.1575 0.1683 1.2576 2.4094 2.1160 2.0928 2.9516 2.9347 3.8930 3.8418 3.8695 3.9025 3.9038 3.8741 3.8853 3.9286 4.2756 3.8725 3.8091 3.5577 3.9598 3.8574 4.0497 3.9025 3.8555 3.8110 4.2119 1.0083 1.0079 1.0132 1.0031 1.0422 1.0143 1.0151 1.0072 1.0112 1.0112 1.0080 1.0039 1.0067 1.0276 1.0010 0.9970 1.0049 1.0152 1.0080 1.0049 0.9957 0.9953 0.9833 1.2576 2.4094 2.1160 2.0928 2.9516 2.9347 3.8930 3.8418 3.8695 3.9025 3.9038 3.8741 3.8853 3.9286 4.2756 3.8725 3.8091 3.5577 3.9598 3.8574 4.0497 3.9025 3.8555 3.8110 4.2119 1.0083 1.0079 1.0132 1.0031 1.0422 1.0143 1.0151 1.0072 1.0112 1.0112 1.0080 1.0039 1.0067 1.0276 1.0010 0.9970 1.0049 1.0152 1.0080 1.0049 0.9957 0.9953 0.9833 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.1416 0.9331 1.2704 1.0478 0.9007 1.8914 1.1663 1.5783 1.5967 0.8964 0.9522 1.0153 1.0060 0.9308 1.0117 1.0033 0.9329 0.9905 1.0007 0.9402 1.0094 1.0155 0.9391 1.0090 0.9926 0.9316 1.0079 1.0037 0.9863 0.9886 0.9937 0.9908 0.9979 1.2426 1.5440 0.9216 1.3612 1.3021 1.4578 0.9893 1.4253 1.0009 1.3209 0.9472 1.3690 0.9964 1.3650 1.0002 0.9831 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 -0.027922361 -1856.349517302074 78.20524 -75.52567 2.67957 24.32309 -25.84845 -1.52536 11.67479 -11.06531 0.60949 3.14297 7.98880