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:-6.1023,-.5181,.7026;.8421,-3.1412,.4828;-1.3932,-2.1286,-.0949;-.0705,-.7172,1.0579;-3.0735,.9083,-1.1321;-4.2623,.7369,-.6028;3.539,.6961,.9714;4.5861,1.6815,1.4719;4.1361,-.6189,.484;4.0099,3.0553,1.7876;3.0817,-1.5898,-.0432;5.0534,4.0468,2.285;2.3578,-2.3296,1.0738;4.481,5.4335,2.5357;-.2474,-1.78,.5386;-2.3533,-1.167,-.2609;-2.1203,.0002,-1.0057;-.8323,.2956,-1.66;-.217,-.643,-2.4858;-.2252,1.5329,-1.4535;-3.5877,-1.3706,.2883;.9944,-.345,-3.0931;.9896,1.8219,-2.0547;1.6028,.883,-2.8745;-4.516,-.3617,.0626;2.9828,1.1516,.1443;2.8049,.5132,1.763;5.3715,1.7889,.7155;5.0776,1.2747,2.3621;4.7167,-1.0914,1.2835;4.8472,-.4043,-.3183;3.2149,2.9581,2.5351;3.5304,3.4569,.888;2.3663,-1.0326,-.6539;3.5398,-2.3263,-.7061;5.5081,3.6652,3.204;5.8639,4.1152,1.5528;2.9749,-3.1358,1.4725;2.0967,-1.6876,1.9146;4.0555,5.8558,1.6234;5.2447,6.126,2.8922;3.6873,5.4068,3.2849;-.6878,-1.599,-2.6768;-.6935,2.2637,-.8072;-3.8188,-2.2534,.8686;1.4631,-1.0763,-3.738;1.4603,2.7802,-1.8784;2.5529,1.1088,-3.3406; 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 2471.9128837542 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 6.323e-06 Time for diagonalization 0.435 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.210 sec Total time needed 0.651 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:-6.1023,-.5181,.7026;.8421,-3.1412,.4828;-1.3932,-2.1286,-.0949;-.0705,-.7172,1.0579;-3.0735,.9083,-1.1321;-4.2623,.7369,-.6028;3.539,.6961,.9714;4.5861,1.6815,1.4719;4.1361,-.6189,.484;4.0099,3.0553,1.7876;3.0817,-1.5898,-.0432;5.0534,4.0468,2.285;2.3578,-2.3296,1.0738;4.481,5.4335,2.5357;-.2474,-1.78,.5386;-2.3533,-1.167,-.2609;-2.1203,.0002,-1.0057;-.8323,.2956,-1.66;-.217,-.643,-2.4858;-.2252,1.5329,-1.4535;-3.5877,-1.3706,.2883;.9944,-.345,-3.0931;.9896,1.8219,-2.0547;1.6028,.883,-2.8745;-4.516,-.3617,.0626;2.9828,1.1516,.1443;2.8049,.5132,1.763;5.3715,1.7889,.7155;5.0776,1.2747,2.3621;4.7167,-1.0914,1.2835;4.8472,-.4043,-.3183;3.2149,2.9581,2.5351;3.5304,3.4569,.888;2.3663,-1.0326,-.6539;3.5397,-2.3263,-.7061;5.5081,3.6652,3.204;5.8639,4.1152,1.5528;2.9749,-3.1358,1.4725;2.0967,-1.6876,1.9146;4.0555,5.8558,1.6234;5.2447,6.126,2.8922;3.6873,5.4068,3.2849;-.6878,-1.599,-2.6768;-.6935,2.2637,-.8072;-3.8188,-2.2534,.8686;1.4631,-1.0763,-3.738;1.4603,2.7802,-1.8784;2.5529,1.1088,-3.3406; 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:-6.1023,-.5181,.7026;.8421,-3.1412,.4828;-1.3932,-2.1286,-.0949;-.0705,-.7172,1.0579;-3.0735,.9083,-1.1321;-4.2623,.7369,-.6028;3.539,.6961,.9714;4.5861,1.6815,1.4719;4.1361,-.6189,.484;4.0099,3.0553,1.7876;3.0817,-1.5898,-.0432;5.0534,4.0468,2.285;2.3578,-2.3296,1.0738;4.481,5.4335,2.5357;-.2474,-1.78,.5386;-2.3533,-1.167,-.2609;-2.1203,.0002,-1.0057;-.8323,.2956,-1.66;-.217,-.643,-2.4858;-.2252,1.5329,-1.4535;-3.5877,-1.3706,.2883;.9944,-.345,-3.0931;.9896,1.8219,-2.0547;1.6028,.883,-2.8745;-4.516,-.3617,.0626;2.9828,1.1516,.1443;2.8049,.5132,1.763;5.3715,1.7889,.7155;5.0776,1.2747,2.3621;4.7167,-1.0914,1.2835;4.8472,-.4043,-.3183;3.2149,2.9581,2.5351;3.5304,3.4569,.888;2.3663,-1.0326,-.6539;3.5398,-2.3263,-.7061;5.5081,3.6652,3.204;5.8639,4.1152,1.5528;2.9749,-3.1358,1.4725;2.0967,-1.6876,1.9146;4.0555,5.8558,1.6234;5.2447,6.126,2.8922;3.6873,5.4068,3.2849;-.6878,-1.599,-2.6768;-.6935,2.2637,-.8072;-3.8188,-2.2534,.8686;1.4631,-1.0763,-3.738;1.4603,2.7802,-1.8784;2.5529,1.1088,-3.3406; 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 2844 GEPOL Volume 2793.0151 GEPOL Surface-area 1562.2707 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -1856.32196721 2471.91288375 -4328.23485097 -7456.19433481 3127.95948385 -0.02963567 -3706.93179089 1850.60982368 2.00308663 100.000023186796 100.000023186796 200.000046373592 -138.234243821867 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 -2765.6998 -2421.1366 -525.7137 -523.8369 -393.9506 -393.9066 -284.5040 -282.8119 -282.6827 -281.6336 -280.9425 -280.4953 -280.3358 -279.9456 -279.9152 -279.8310 -279.8141 -279.8065 -279.4415 -279.2255 -279.1305 -279.0976 -279.0753 -279.0666 -278.9498 -260.9784 -219.6701 -199.8163 -199.5791 -199.5640 -163.9906 -163.8727 -163.7672 -34.6864 -32.1996 -31.9230 -28.0318 -27.0982 -26.4325 -25.7516 -25.4548 -25.0131 -24.3193 -23.8110 -23.6787 -23.3419 -22.4310 -21.7378 -21.4315 -20.4297 -19.8272 -19.5848 -19.2884 -19.0665 -18.4631 -18.3600 -18.2091 -17.4999 -17.1317 -16.9026 -16.2705 -15.9537 -15.8505 -15.7031 -15.5471 -15.2286 -15.1407 -14.9127 -14.8916 -14.4332 -14.3918 -14.2269 -14.1200 -13.9131 -13.8162 -13.4432 -13.1359 -12.9486 -12.8053 -12.7803 -12.6421 -12.4904 -12.0321 -12.0023 -11.8999 -11.8057 -11.7061 -11.6253 -11.3771 -11.1277 -11.0797 -11.0186 -10.9215 -10.8635 -10.5040 -10.4053 -9.8208 -9.7128 -9.4074 -9.1651 0.1859 0.3930 1.4144 1.8474 1.8873 2.5899 2.9571 3.2499 3.5824 3.7111 3.9412 3.9737 4.1841 4.3544 4.4225 4.4751 4.6466 4.7527 4.8809 5.0849 5.2618 5.3086 5.3641 5.4689 5.5723 5.6706 5.7522 5.9087 5.9649 6.0462 6.1158 6.2919 6.3427 6.4390 6.5719 6.6717 6.9153 6.9353 7.1279 7.2508 7.3486 7.3912 7.4668 7.6687 7.8213 7.8793 7.9837 8.0031 8.1107 8.2115 8.3582 8.5593 8.6553 8.7296 8.7844 8.9498 9.0522 9.1027 9.2128 9.2621 9.4464 9.5657 9.6677 9.8155 9.9362 9.9744 10.2014 10.2683 10.3711 10.4756 10.5691 10.6526 10.6754 10.7735 10.9547 11.1060 11.1459 11.1825 11.2786 11.3191 11.4982 11.5531 11.7022 11.8099 11.8599 11.9224 12.1545 12.2809 12.3762 12.4371 12.6298 12.7136 12.7304 13.0524 13.1100 13.1539 13.3161 13.3344 13.4276 13.4747 13.5523 13.6956 13.8625 13.9190 14.0437 14.0593 14.1267 14.2997 14.3819 14.4515 14.5765 14.6801 14.7229 14.7955 14.9094 14.9688 15.1167 15.1910 15.2374 15.3634 15.4230 15.4622 15.5732 15.6055 15.7148 15.7836 15.8346 15.9795 16.0768 16.1496 16.2316 16.3007 16.3184 16.4516 16.6160 16.7520 16.7828 16.9747 17.0975 17.1225 17.3803 17.4681 17.6423 17.7100 17.7674 17.9450 18.0161 18.2011 18.2888 18.6240 18.7492 18.8375 18.9857 19.0689 19.1525 19.2917 19.4906 19.5776 19.7653 19.8115 19.9148 20.0766 20.2099 20.4220 20.4787 20.7908 20.8576 20.9553 21.1435 21.3096 21.4744 21.5012 21.5760 21.6737 21.8982 22.0726 22.1036 22.2356 22.4907 22.5157 22.7653 22.8811 22.9275 23.1167 23.3703 23.4801 23.6564 23.8437 23.8953 23.9875 24.1140 24.3592 24.4234 24.4974 24.6870 24.7841 24.9164 25.1236 25.3359 25.5253 25.7943 25.8838 26.0897 26.1807 26.3889 26.4719 26.7264 26.8168 26.9663 27.2007 27.3073 27.4434 27.4934 27.7035 27.8592 28.0458 28.2967 28.4051 28.5314 28.6681 28.7467 28.8836 29.0451 29.1033 29.3901 29.5419 29.6502 29.9183 29.9849 30.1975 30.2740 30.3710 30.6829 30.7374 30.8376 31.0218 31.1563 31.2850 31.5425 31.6327 31.8530 31.9850 32.1101 32.1265 32.1369 32.5941 32.6314 32.6886 32.7507 32.9103 32.9769 33.0334 33.2179 33.3191 33.4678 33.5865 33.7004 33.9708 34.2353 34.3092 34.3472 34.5320 34.7022 34.9186 35.0178 35.0908 35.2448 35.3952 35.5376 35.6324 35.8803 36.1542 36.3697 36.5607 36.6327 36.7880 36.8538 36.9681 37.1643 37.2525 37.4117 37.6093 37.6484 37.7937 37.8455 38.1093 38.1712 38.3156 38.4904 38.6215 38.7595 38.8743 38.9950 39.1235 39.2020 39.2973 39.4535 39.5920 39.8557 40.0453 40.1744 40.2213 40.4359 40.6778 40.8191 40.9630 40.9845 41.2051 41.3199 41.4573 41.5913 41.7036 41.7672 41.8756 42.1468 42.1936 42.2914 42.5310 42.5808 42.6404 42.7517 42.8292 42.9252 43.0530 43.3669 43.4584 43.5886 43.6144 43.8214 43.9589 44.0248 44.2134 44.2444 44.2665 44.4418 44.6089 44.6611 44.9950 45.1395 45.3882 45.4178 45.6241 45.6756 45.7485 46.0276 46.1484 46.2847 46.4108 46.5871 46.6576 46.7840 46.9566 46.9723 47.1791 47.4089 47.4364 47.4880 47.6479 47.7773 47.8858 47.9984 48.3770 48.5350 48.6533 48.8145 48.8460 49.1197 49.2924 49.3897 49.5734 49.8301 49.8425 49.8894 50.1764 50.3496 50.5921 50.7462 50.9767 51.1275 51.3118 51.3909 51.6161 51.7096 51.8878 52.0556 52.1225 52.2535 52.4091 52.6172 52.9542 53.1054 53.4174 53.4954 53.6703 53.6972 54.1749 54.4652 54.7453 54.9298 55.2179 55.5748 55.6796 55.9192 56.1383 56.3829 56.7050 56.9086 57.0486 57.4473 57.5447 57.7038 58.0837 58.3660 58.5571 58.8006 58.8647 59.1198 59.1881 59.3920 59.6718 59.7983 59.9782 60.0519 60.2497 60.3244 60.8097 60.9762 61.1460 61.1838 61.3999 61.4445 61.7470 62.0323 62.1421 62.3874 62.5538 62.6235 62.8644 63.0155 63.3779 63.3870 63.5339 63.8123 64.5077 64.6243 64.8331 65.0582 65.3588 65.5217 65.6449 65.8167 66.0628 66.4785 66.5261 66.6871 66.8601 67.2816 67.4491 67.8302 67.9769 68.2572 68.4485 68.8116 69.2314 69.4809 69.5841 69.9252 70.2088 70.8663 71.2739 71.3634 71.4909 71.5999 71.7926 71.9337 72.1120 72.3400 72.5885 72.8077 72.9457 73.2006 73.3559 73.6355 73.7955 74.3075 74.3482 74.5544 74.5730 74.8314 75.0300 75.1356 75.2444 75.3709 75.7495 76.0325 76.1633 76.4885 76.7008 76.8394 77.0685 77.3261 77.3517 77.6164 77.8805 77.9076 78.1035 78.2109 78.7061 78.9869 79.2126 79.2980 79.4909 79.5872 79.7353 79.8469 80.0395 80.1343 80.3298 80.4691 80.5864 80.8202 80.9528 80.9961 81.3384 81.5204 81.6448 81.7305 81.8404 82.0568 82.2109 82.4329 82.7047 82.9447 83.1831 83.2641 83.3554 83.4457 83.6127 83.7850 83.9056 83.9676 84.2106 84.3306 84.5510 84.5987 84.6910 84.7556 84.8595 85.1451 85.3951 85.4666 85.5018 85.6638 85.8486 86.0121 86.1110 86.2279 86.2678 86.4106 86.5480 86.6442 86.7872 86.8120 86.8771 87.0026 87.3377 87.6062 87.6451 87.8034 87.9031 88.0639 88.2393 88.2649 88.3927 88.5337 88.7504 88.8707 88.9262 89.0565 89.1631 89.2410 89.4255 89.4698 89.6212 89.7075 89.8715 89.9616 90.0759 90.1595 90.3135 90.4311 90.4615 90.6458 90.7258 90.7977 90.8884 90.9834 91.1577 91.2379 91.4136 91.5461 91.5661 91.7157 91.8891 92.0088 92.0990 92.2259 92.4419 92.6006 92.7207 92.9198 92.9497 93.0712 93.1897 93.3215 93.3685 93.4286 93.5500 94.0059 94.0956 94.3664 94.4661 94.5582 94.8013 94.9522 94.9959 95.0526 95.3691 95.4534 95.6186 95.8902 95.9532 96.1565 96.2472 96.4160 96.8563 97.0298 97.3930 97.4246 97.4904 97.7675 97.8585 97.9570 98.2715 98.3137 98.5844 98.7687 98.8955 99.0653 99.1789 99.3463 99.4096 99.5308 99.6083 99.9602 100.1707 100.2355 100.4664 100.5633 100.7474 100.8100 101.1216 101.3440 101.3957 101.5884 101.7022 101.8036 101.9151 102.0070 102.1242 102.2489 102.5458 102.8430 103.0306 103.1395 103.3346 103.5459 103.7076 103.8332 103.9871 104.0814 104.4364 104.7382 104.8158 105.1781 105.3791 105.4695 105.5689 105.7010 105.8725 105.9876 106.1035 106.1439 106.3834 106.6735 106.8939 106.9639 107.2417 107.2535 107.5682 107.7929 107.8680 108.0270 108.1806 108.3704 108.7275 108.8002 108.9905 109.1171 109.2057 109.3515 109.4932 109.5791 109.7806 109.9496 110.0270 110.1683 110.2467 110.5022 110.5218 110.6936 110.9109 111.0413 111.1480 111.4145 111.5562 111.7990 111.9598 112.2326 112.3801 112.4634 112.6716 112.9009 112.9540 113.0733 113.2880 113.4711 113.5557 113.5783 113.7596 113.9173 113.9815 114.1609 114.2123 114.4014 114.4849 114.6351 114.8279 114.9749 115.1863 115.2749 115.4982 115.5655 115.7418 115.8292 116.0183 116.4151 116.5922 116.6616 116.8146 117.1183 117.4120 117.4395 117.5689 117.7249 117.8490 118.1229 118.2079 118.4043 118.4663 118.5356 118.7818 118.8433 118.9780 119.0567 119.4463 119.6141 119.6260 119.7156 119.9087 120.1398 120.2601 120.5420 120.7346 120.8928 121.0295 121.1711 121.2846 121.3426 121.4500 121.5556 121.6002 121.7658 121.8914 122.2494 122.6328 122.8083 122.9629 123.1864 123.5831 123.7726 123.8982 124.3621 124.4962 124.8035 125.0375 125.1569 125.6781 125.9281 126.2595 126.9183 127.1356 127.2223 127.4741 127.6838 128.0701 128.2111 128.4790 128.6110 128.7823 129.0398 129.6800 129.7268 129.9441 130.1523 130.2761 130.5729 130.6744 130.6944 131.0488 131.1160 131.2625 131.5101 131.8671 132.0985 132.3643 132.3854 132.6666 132.7788 132.9647 133.1135 133.1447 133.3175 133.9591 134.4046 134.5859 134.7458 134.9678 135.6460 135.7855 135.8950 136.0273 136.3352 136.4834 136.6041 136.9969 137.0751 137.3685 137.6895 137.8550 138.1096 138.1809 138.7089 138.8628 139.0194 139.0489 139.4629 139.5943 139.6651 140.0776 140.2078 140.3910 140.4157 140.7457 141.0535 141.3758 141.6501 142.0730 142.2043 142.2149 142.6036 142.9238 143.0222 143.4562 144.0122 144.1135 144.4261 144.8266 145.1330 145.6289 145.9141 146.0008 146.2969 146.3890 147.9626 148.0150 148.1072 148.2923 148.7971 148.8598 148.9359 149.0184 149.3307 149.4138 149.5851 150.0908 150.6047 150.8252 150.8910 150.9479 151.3633 151.6283 151.7295 152.0545 152.0717 152.4820 152.8223 152.8777 153.1768 153.2670 153.3183 153.6305 153.8475 154.1864 154.2777 154.4122 154.5959 154.6900 154.9968 155.1957 155.4664 155.7220 156.1297 156.4391 156.9231 157.2419 157.8312 158.1523 158.3733 158.5729 158.7813 158.8784 159.2896 159.4111 159.5146 159.7486 160.0718 160.5674 160.9066 161.7569 162.1492 162.4785 163.0817 163.2662 165.3896 165.7790 167.9171 168.6944 169.0446 170.3162 172.1400 173.4741 174.1032 177.3022 177.8322 179.6415 181.8296 184.4036 185.0475 185.7962 187.1045 187.7780 188.2767 189.0224 189.9112 191.4794 193.6319 195.3107 196.1572 197.9446 201.1839 202.4684 204.4742 221.2259 222.4222 223.0456 226.4727 228.8682 246.5051 257.9531 262.4325 294.5113 296.4816 311.8393 545.7016 619.7729 623.8478 626.2777 631.1251 632.0564 634.5923 634.7476 635.1986 636.4703 636.6565 637.7001 638.4433 639.3153 640.7463 641.5693 643.5306 643.6220 646.1006 659.5781 710.1921 880.7996 886.8985 1199.1101 1211.0932 -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 -0.045600 -0.045270 -0.282804 -0.397650 -0.146408 -0.203299 -0.075247 -0.130477 -0.152935 -0.098126 -0.063568 -0.082628 -0.130228 -0.282723 0.364440 0.182807 0.244748 0.005337 -0.156203 -0.150895 -0.133455 -0.182045 -0.208340 -0.102459 0.154175 0.033696 0.061425 0.056482 0.061596 0.072972 0.078099 0.057321 0.054281 -0.009513 0.104402 0.055396 0.053427 0.135773 0.119603 0.077566 0.090089 0.077987 0.159000 0.144322 0.155550 0.157129 0.159756 0.162494 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 17.0456 16.0453 8.2828 8.3976 7.1464 7.2033 6.0752 6.1305 6.1529 6.0981 6.0636 6.0826 6.1302 6.2827 5.6356 5.8172 5.7553 5.9947 6.1562 6.1509 6.1335 6.1820 6.2083 6.1025 5.8458 0.9663 0.9386 0.9435 0.9384 0.9270 0.9219 0.9427 0.9457 1.0095 0.8956 0.9446 0.9466 0.8642 0.8804 0.9224 0.9099 0.9220 0.8410 0.8557 0.8444 0.8429 0.8402 0.8375 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 -0.0456 -0.0453 -0.2828 -0.3976 -0.1464 -0.2033 -0.0752 -0.1305 -0.1529 -0.0981 -0.0636 -0.0826 -0.1302 -0.2827 0.3644 0.1828 0.2447 0.0053 -0.1562 -0.1509 -0.1335 -0.1820 -0.2083 -0.1025 0.1542 0.0337 0.0614 0.0565 0.0616 0.0730 0.0781 0.0573 0.0543 -0.0095 0.1044 0.0554 0.0534 0.1358 0.1196 0.0776 0.0901 0.0780 0.1590 0.1443 0.1556 0.1571 0.1598 0.1625 1.2576 2.4138 2.1253 2.0939 2.9475 2.9377 3.8752 3.9181 3.9555 3.8730 3.8760 3.8771 3.8903 3.9475 4.2565 3.8622 3.8150 3.5759 3.8418 3.9264 4.0453 3.8641 3.9031 3.7901 4.2126 1.0221 1.0159 1.0097 1.0108 1.0079 1.0085 1.0085 1.0087 1.0438 1.0138 1.0072 1.0069 1.0084 1.0224 1.0007 1.0041 1.0005 1.0057 1.0147 1.0062 0.9941 0.9945 0.9882 1.2576 2.4138 2.1253 2.0939 2.9475 2.9377 3.8752 3.9181 3.9555 3.8730 3.8760 3.8771 3.8903 3.9475 4.2565 3.8622 3.8150 3.5759 3.8418 3.9264 4.0453 3.8641 3.9031 3.7901 4.2126 1.0221 1.0159 1.0097 1.0108 1.0079 1.0085 1.0085 1.0087 1.0438 1.0138 1.0072 1.0069 1.0084 1.0224 1.0007 1.0041 1.0005 1.0057 1.0147 1.0062 0.9941 0.9945 0.9882 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1413 0.9451 1.2634 1.0502 0.9114 1.8918 1.1685 1.5773 1.5951 0.9518 0.9412 1.0027 0.9991 0.9354 1.0113 1.0054 0.9381 1.0114 0.9980 0.9435 1.0008 1.0075 0.9294 1.0010 0.9940 0.9404 1.0026 1.0045 0.9736 1.0010 0.9965 1.0009 0.9951 1.2377 1.5368 0.9227 1.3104 1.3620 1.4153 0.9988 1.4451 0.9903 1.3254 0.9470 1.3694 1.0027 1.3655 0.9966 0.9909 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 -0.025619485 -1856.347586696003 71.93137 -69.55821 2.37316 27.02205 -29.01667 -1.99463 10.52010 -10.28236 0.23774 3.10917 7.90289