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:-5.6447,-1.9834,-1.4144;.6333,-2.114,2.2774;-1.4221,-1.1715,1.2218;.0969,-1.8,-.3163;-3.073,.8325,-1.2964;-4.0969,.0757,-1.5985;4.7334,-.253,.6391;4.96,.7231,-.5113;3.3975,-.9905,.6049;3.9467,1.8583,-.5763;3.3659,-2.1172,1.6269;4.2147,2.8719,-1.6863;2.1062,-2.9643,1.6286;5.5002,3.6679,-1.508;-.2298,-1.6766,.8252;-2.3069,-.762,.2645;-2.1777,.4737,-.3875;-1.0895,1.439,-.1442;-.5908,2.1733,-1.2217;-.5943,1.6907,1.1358;-3.3753,-1.5634,-.0294;.3843,3.1362,-1.0238;.3841,2.6555,1.3279;.875,3.3805,.2521;-4.2552,-1.069,-.9835;4.828,.279,1.5921;5.5418,-.9915,.6281;4.9455,.1737,-1.4595;5.9699,1.1321,-.4155;3.2317,-1.4034,-.3959;2.5759,-.2922,.7927;3.9211,2.3777,.389;2.9456,1.4428,-.7198;4.1967,-2.8017,1.4276;3.5395,-1.7186,2.6308;4.234,2.3562,-2.6517;3.3732,3.5687,-1.7369;1.8726,-3.3562,.6382;2.23,-3.8228,2.2896;5.614,4.4136,-2.2967;6.3876,3.034,-1.5365;5.5071,4.1994,-.5536;-.9667,1.988,-2.2193;-.9908,1.1727,1.9983;-3.5191,-2.5213,.4523;.7631,3.696,-1.869;.7537,2.847,2.3269;1.6372,4.1333,.4063; 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 2488.1290625213 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 6.950e-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 0.209 sec Total time needed 0.646 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:-5.6447,-1.9834,-1.4144;.6333,-2.114,2.2774;-1.4221,-1.1715,1.2218;.0969,-1.8,-.3163;-3.073,.8325,-1.2964;-4.0969,.0757,-1.5985;4.7334,-.253,.6391;4.96,.7231,-.5113;3.3975,-.9905,.6049;3.9467,1.8583,-.5763;3.3659,-2.1172,1.6269;4.2147,2.8719,-1.6863;2.1062,-2.9643,1.6286;5.5002,3.6679,-1.508;-.2298,-1.6766,.8252;-2.3069,-.762,.2645;-2.1777,.4737,-.3875;-1.0895,1.439,-.1442;-.5908,2.1733,-1.2217;-.5943,1.6907,1.1358;-3.3753,-1.5634,-.0294;.3843,3.1362,-1.0238;.3841,2.6555,1.3279;.875,3.3805,.2521;-4.2552,-1.069,-.9835;4.828,.279,1.5921;5.5418,-.9915,.6281;4.9455,.1737,-1.4595;5.9699,1.1321,-.4155;3.2317,-1.4034,-.3959;2.5759,-.2922,.7927;3.9211,2.3777,.389;2.9456,1.4428,-.7198;4.1967,-2.8017,1.4276;3.5395,-1.7186,2.6308;4.234,2.3562,-2.6517;3.3732,3.5687,-1.7369;1.8726,-3.3562,.6382;2.23,-3.8228,2.2896;5.614,4.4136,-2.2967;6.3876,3.034,-1.5365;5.5071,4.1994,-.5536;-.9667,1.988,-2.2193;-.9908,1.1727,1.9983;-3.5191,-2.5213,.4523;.7631,3.696,-1.869;.7537,2.847,2.3269;1.6372,4.1333,.4063; 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 "1-OCTANOL" 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:-5.6447,-1.9834,-1.4144;.6333,-2.114,2.2774;-1.4221,-1.1715,1.2218;.0969,-1.8,-.3163;-3.073,.8325,-1.2964;-4.0969,.0757,-1.5985;4.7334,-.253,.6391;4.96,.7231,-.5113;3.3975,-.9905,.6049;3.9467,1.8583,-.5763;3.3659,-2.1172,1.6269;4.2147,2.8719,-1.6863;2.1062,-2.9643,1.6286;5.5002,3.6679,-1.508;-.2298,-1.6766,.8252;-2.3069,-.762,.2645;-2.1777,.4737,-.3875;-1.0895,1.439,-.1442;-.5908,2.1733,-1.2217;-.5943,1.6907,1.1358;-3.3753,-1.5634,-.0294;.3843,3.1362,-1.0238;.3841,2.6555,1.3279;.875,3.3805,.2521;-4.2552,-1.069,-.9835;4.828,.279,1.5921;5.5418,-.9915,.6281;4.9455,.1737,-1.4595;5.9699,1.1321,-.4155;3.2317,-1.4034,-.3959;2.5759,-.2922,.7927;3.9211,2.3777,.389;2.9456,1.4428,-.7198;4.1967,-2.8017,1.4276;3.5395,-1.7186,2.6308;4.234,2.3562,-2.6517;3.3732,3.5687,-1.7369;1.8726,-3.3562,.6382;2.23,-3.8228,2.2896;5.614,4.4136,-2.2967;6.3876,3.034,-1.5365;5.5071,4.1994,-.5536;-.9667,1.988,-2.2193;-.9908,1.1727,1.9983;-3.5191,-2.5213,.4523;.7631,3.696,-1.869;.7537,2.847,2.3269;1.6372,4.1333,.4063; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S O N C H 2.3800 2.4900 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2798 GEPOL Volume 2807.4309 GEPOL Surface-area 1556.3887 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.33070817 2488.12906252 -4344.45977069 -7488.57388604 3144.11411535 -0.02478507 -3706.93407080 1850.60336263 2.00309485 100.000151867260 100.000151867260 200.000303734521 -138.233334625692 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 -2765.6801 -2421.1310 -525.6362 -523.7991 -393.8930 -393.8854 -284.4828 -282.7832 -282.6522 -281.6326 -280.9525 -280.5598 -280.3579 -279.9664 -279.8967 -279.8420 -279.8091 -279.7875 -279.5137 -279.2183 -279.1599 -279.1593 -279.0862 -279.0592 -278.9566 -260.9577 -219.6657 -199.7959 -199.5583 -199.5434 -163.9836 -163.8701 -163.7627 -34.6633 -32.1833 -31.9150 -28.0076 -27.0784 -26.4270 -25.7604 -25.4411 -25.0290 -24.2836 -23.7949 -23.6649 -23.3821 -22.3913 -21.7329 -21.4646 -20.6489 -19.9214 -19.5792 -19.3079 -19.0046 -18.6261 -18.2319 -17.9513 -17.5223 -17.1283 -16.8744 -16.2885 -15.9319 -15.8038 -15.5581 -15.4420 -15.2541 -15.1467 -14.9415 -14.8143 -14.7248 -14.4259 -14.2928 -14.2080 -13.9693 -13.6889 -13.4705 -13.2345 -13.0715 -12.7729 -12.7116 -12.4789 -12.4362 -12.2785 -12.0179 -11.7742 -11.7257 -11.6183 -11.5647 -11.5343 -11.2164 -11.1253 -10.9376 -10.8299 -10.8031 -10.5967 -10.5013 -9.7646 -9.6557 -9.4211 -9.0609 0.1467 0.3308 1.5383 1.8472 2.0644 2.6012 2.9683 3.1334 3.5489 3.6533 3.7848 3.8800 4.0636 4.2216 4.4103 4.4947 4.6143 4.7432 4.8831 5.0213 5.1863 5.2394 5.3081 5.4303 5.5742 5.6122 5.7196 5.8646 6.0586 6.1744 6.3052 6.3669 6.4231 6.4650 6.5836 6.7191 6.8858 6.9432 7.0425 7.1962 7.3388 7.4763 7.6576 7.7165 7.8512 7.9739 8.0114 8.0936 8.2204 8.3123 8.3900 8.5457 8.6535 8.7239 8.8550 8.8673 9.0280 9.0583 9.2357 9.3087 9.4390 9.6079 9.6996 9.9101 9.9782 10.0633 10.1315 10.1989 10.3652 10.4597 10.5979 10.7476 10.7918 10.8612 11.0235 11.1295 11.2867 11.3067 11.3369 11.5014 11.5213 11.7318 11.7889 11.8323 11.9294 12.0966 12.1954 12.3080 12.3540 12.5590 12.7233 12.8195 12.8839 12.9296 13.0489 13.1127 13.2400 13.3038 13.4948 13.5191 13.6160 13.6635 13.8088 13.8996 13.9469 14.0688 14.1152 14.2030 14.3026 14.4436 14.5148 14.6108 14.6848 14.7334 14.8263 14.9146 15.0918 15.2171 15.2233 15.3038 15.3388 15.4561 15.5253 15.5815 15.6701 15.7810 15.8357 15.9850 16.0691 16.1260 16.1638 16.2652 16.4626 16.5369 16.6178 16.6930 16.7715 16.9482 17.0600 17.1751 17.3737 17.4378 17.6267 17.8190 17.9763 18.0793 18.1818 18.2732 18.4897 18.5334 18.6261 18.8987 19.0561 19.2235 19.3051 19.4332 19.5747 19.7752 19.8033 19.9099 20.0036 20.2395 20.3742 20.5653 20.7018 20.7904 20.9048 20.9800 21.1456 21.2524 21.4957 21.6988 21.7273 21.8800 21.9023 22.0602 22.1838 22.2508 22.3889 22.5752 22.6719 22.7889 22.8788 22.9812 23.1794 23.3443 23.5953 23.8223 23.9370 24.0459 24.1600 24.2243 24.2875 24.6445 24.7667 24.8427 25.0927 25.2317 25.3204 25.5323 25.7411 25.8783 25.8993 26.2162 26.3029 26.3535 26.4757 26.6389 26.8835 26.9652 27.1542 27.3077 27.5482 27.6520 27.7286 27.9696 28.0181 28.3322 28.4419 28.6670 28.8080 28.8718 29.0214 29.1371 29.4297 29.6273 29.8182 29.9696 30.1376 30.2814 30.4857 30.5993 30.8095 30.9624 31.0729 31.1435 31.2156 31.3064 31.5821 31.7109 31.8500 32.0200 32.1392 32.3036 32.4148 32.4462 32.5722 32.6892 32.8041 33.0126 33.0655 33.1905 33.2435 33.5300 33.6571 33.7280 33.9024 34.1070 34.1336 34.3460 34.3935 34.6150 34.7213 34.8221 34.9584 35.1553 35.4585 35.5075 35.5640 35.6939 35.8134 35.9175 36.2061 36.3049 36.3637 36.5066 36.6651 36.8440 36.9466 37.1462 37.2254 37.4273 37.6371 37.7974 38.0122 38.1024 38.2332 38.4198 38.5791 38.6610 38.6927 38.9052 39.0073 39.1742 39.3757 39.5183 39.5851 39.7645 39.8759 40.0546 40.1055 40.3481 40.5299 40.6055 40.8685 41.0255 41.1354 41.3192 41.3811 41.4993 41.6136 41.7389 41.8319 42.0099 42.0500 42.3372 42.4738 42.5382 42.5935 42.8849 42.9087 43.0476 43.1031 43.3652 43.4347 43.5557 43.5777 43.7452 43.7585 43.8465 43.8836 44.1581 44.3799 44.4574 44.6278 44.8407 45.0741 45.1972 45.3168 45.3940 45.4597 45.6408 45.8583 45.9502 46.2618 46.3063 46.4487 46.5096 46.8189 46.9021 46.9247 47.0653 47.3118 47.3592 47.5528 47.6146 47.6713 47.7255 48.0953 48.1319 48.2746 48.4748 48.5572 48.8601 48.8890 49.0975 49.1647 49.3237 49.3882 49.4401 49.6893 49.8440 49.9472 50.0417 50.1457 50.5753 50.6218 50.9333 51.0824 51.2924 51.5557 51.6244 51.8402 51.9932 52.1556 52.2716 52.2998 52.5629 52.6832 52.9290 53.1301 53.3073 53.5448 53.7295 53.8661 54.1805 54.3679 54.5837 54.9268 55.3559 55.5209 55.6355 55.9091 56.2684 56.5272 56.8800 57.0298 57.0827 57.5586 57.7242 57.8889 58.3010 58.6003 58.7756 58.9538 59.0878 59.1774 59.4341 59.6372 59.7602 59.8737 59.9531 60.1723 60.2559 60.4223 60.7494 60.9176 61.1172 61.1415 61.4269 61.5617 61.6153 61.9990 62.4588 62.6122 62.6664 62.8209 62.9184 63.0788 63.3188 63.4330 63.6060 64.0803 64.3802 64.9380 65.0915 65.2458 65.3548 65.4295 65.5572 65.8284 65.8798 66.1897 66.5005 66.6133 66.7569 66.8682 67.5393 67.7581 67.8337 68.2780 68.3036 68.5896 68.7048 69.1844 69.3317 69.8291 69.9409 70.7092 70.9433 71.1819 71.2661 71.5485 71.8250 71.9103 72.0694 72.3204 72.6267 72.8734 73.0591 73.1808 73.4631 73.6745 73.9889 74.4490 74.4938 74.5882 74.7348 74.8847 75.1072 75.4175 75.4857 75.6708 75.8530 75.9719 76.2574 76.4527 76.7154 76.9891 77.0098 77.1712 77.2883 77.6510 77.7391 77.8892 77.9813 78.0756 78.3661 78.7084 78.9590 79.1055 79.1580 79.5010 79.7494 79.7995 79.8403 80.1627 80.2746 80.6013 80.7870 80.8447 81.2446 81.3244 81.5252 81.7108 81.8131 82.0186 82.0828 82.2892 82.4608 82.5522 82.6881 82.8893 82.9947 83.1846 83.3796 83.5368 83.7096 83.8471 83.9474 84.0669 84.2181 84.4100 84.4445 84.4859 84.7392 84.9945 85.0934 85.2032 85.3401 85.4700 85.5672 85.6396 85.7298 85.9044 86.0019 86.1223 86.2201 86.2949 86.3286 86.5671 86.7296 86.9116 86.9405 87.0760 87.3600 87.3722 87.4870 87.6318 87.8182 88.0786 88.1682 88.2186 88.2461 88.4560 88.6232 88.6961 88.8384 88.9911 89.1403 89.2340 89.4250 89.4632 89.6029 89.6459 89.7532 89.8029 89.8674 90.0488 90.1434 90.2905 90.5166 90.6377 90.6935 90.9047 90.9696 91.0196 91.1773 91.2479 91.4362 91.5529 91.7029 91.9119 92.0143 92.0807 92.3061 92.4092 92.4674 92.6529 92.8164 92.8864 93.0353 93.0705 93.2026 93.2813 93.3788 93.7559 93.8457 93.9871 94.0965 94.2914 94.3623 94.5490 94.7079 94.8353 95.0640 95.2031 95.2791 95.4361 95.6272 95.8524 95.9493 96.1825 96.3066 96.3999 96.7419 96.9962 97.1860 97.2938 97.4889 97.6624 97.7733 97.8672 98.0089 98.2017 98.4688 98.5241 98.7270 98.9321 99.1495 99.2879 99.4408 99.7036 99.8031 100.0058 100.0691 100.3477 100.3876 100.6429 100.8719 100.9899 101.3280 101.3689 101.4175 101.6626 101.7582 101.8213 101.9032 102.1809 102.3054 102.4379 102.7393 102.8862 103.0477 103.0619 103.2255 103.3325 103.4371 103.5910 103.7736 103.9567 104.0795 104.2558 104.6486 104.8645 105.0121 105.1211 105.2677 105.6262 105.8146 105.9584 106.0212 106.3031 106.3777 106.5547 106.8436 106.9496 107.0859 107.4402 107.5966 107.9095 107.9479 107.9975 108.2799 108.4401 108.6771 108.7066 108.9726 109.0653 109.2623 109.3225 109.5430 109.6420 109.7841 109.8597 110.1607 110.2658 110.3742 110.5708 110.6219 110.7110 111.0111 111.1334 111.2522 111.4536 111.5746 111.6224 111.7847 111.8920 111.9347 112.4532 112.7162 112.9599 113.0564 113.1390 113.3066 113.3878 113.6287 113.9086 113.9476 114.0329 114.1057 114.1642 114.5495 114.7478 114.9729 115.0076 115.2375 115.2813 115.4186 115.6131 115.7337 115.9189 116.0598 116.1886 116.3779 116.4083 116.5995 116.6987 116.9607 117.0756 117.4527 117.4718 117.6505 117.7728 117.9650 118.1375 118.3022 118.4438 118.5271 118.7754 118.9118 119.0078 119.2060 119.4158 119.5026 119.5698 119.6578 119.7784 119.9572 120.2690 120.2916 120.4583 120.7415 120.8158 120.9741 121.2579 121.3493 121.4663 121.7943 121.8264 121.9779 122.1211 122.4657 122.6514 122.7875 122.9787 123.1683 123.2706 123.6819 123.7921 124.0729 124.1932 124.9458 125.2064 125.5612 125.8514 125.9076 126.5477 126.6340 126.7980 127.1490 127.3729 127.6266 127.6834 128.1781 128.3788 128.5695 128.9546 129.0848 129.3776 129.7833 129.8580 129.9876 130.1410 130.3203 130.4345 130.5853 130.9296 131.1421 131.3117 131.4531 131.6652 131.9722 132.1573 132.3304 132.3846 132.4882 132.6318 132.8973 132.9858 133.2821 133.5319 133.9864 134.4964 134.7231 134.8277 135.0496 135.1804 135.8560 135.9998 136.1243 136.3036 136.5429 136.5980 136.8981 136.9961 137.2015 137.2523 137.8540 138.0532 138.3193 138.4084 138.4917 138.8081 139.1036 139.4045 139.6475 139.8618 139.8781 140.3173 140.4076 140.6716 141.0463 141.4383 141.5540 141.8375 142.0272 142.1246 142.3493 142.8709 142.9178 143.0365 143.7906 143.9249 144.3992 144.4580 144.7044 145.1517 145.2960 145.6709 145.8246 146.5355 146.6165 147.0761 147.4205 148.2171 148.4332 148.4661 148.7277 149.1253 149.2123 149.3195 149.5322 149.8767 149.9046 150.3045 150.6900 151.0806 151.1418 151.4472 151.5119 151.6718 151.8951 151.9986 152.6046 152.6540 152.7735 152.9222 153.1205 153.6339 153.9563 154.1237 154.4808 154.6126 154.6617 154.8528 155.2757 155.3162 155.6011 156.0949 156.2345 156.7148 156.9593 157.1172 157.2401 157.5982 157.8917 158.1074 158.4254 158.5992 158.8299 159.0555 159.1595 159.6327 159.7237 160.1483 160.3568 160.9678 161.1040 161.5032 161.5277 163.0460 163.9299 164.8839 166.4292 168.0888 168.7500 169.3753 170.5679 172.1431 173.6193 174.6689 176.4001 177.9564 179.1342 182.5101 184.1335 185.1102 185.9546 187.2644 187.8331 188.3293 188.8437 190.0882 191.5764 194.0664 195.3675 195.8100 198.4464 200.8039 202.1412 204.7744 221.2464 222.4391 223.0764 226.5176 228.8855 246.5839 257.0785 262.7361 294.5279 296.4959 311.8189 545.1045 619.9612 622.4286 626.5515 631.4695 632.1307 633.6113 634.2118 635.1077 636.6290 637.2748 637.4434 639.1083 640.1727 641.2398 643.3282 643.4628 643.8396 646.4804 659.4684 710.1435 880.8560 886.8148 1198.8874 1211.2130 -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 -0.045148 -0.049845 -0.292416 -0.385794 -0.143380 -0.198452 -0.130030 -0.140560 -0.092801 -0.103276 -0.119203 -0.104295 -0.120602 -0.276928 0.355329 0.147213 0.262242 0.040495 -0.162456 -0.202487 -0.114869 -0.168834 -0.148864 -0.144244 0.151741 0.066814 0.071188 0.062731 0.075925 0.068233 0.036009 0.059972 0.056827 0.077977 0.074468 0.060392 0.057264 0.113194 0.136058 0.090859 0.080231 0.079030 0.139631 0.153752 0.154936 0.159280 0.155714 0.156979 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 17.0451 16.0498 8.2924 8.3858 7.1434 7.1985 6.1300 6.1406 6.0928 6.1033 6.1192 6.1043 6.1206 6.2769 5.6447 5.8528 5.7378 5.9595 6.1625 6.2025 6.1149 6.1688 6.1489 6.1442 5.8483 0.9332 0.9288 0.9373 0.9241 0.9318 0.9640 0.9400 0.9432 0.9220 0.9255 0.9396 0.9427 0.8868 0.8639 0.9091 0.9198 0.9210 0.8604 0.8462 0.8451 0.8407 0.8443 0.8430 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 -0.0451 -0.0498 -0.2924 -0.3858 -0.1434 -0.1985 -0.1300 -0.1406 -0.0928 -0.1033 -0.1192 -0.1043 -0.1206 -0.2769 0.3553 0.1472 0.2622 0.0405 -0.1625 -0.2025 -0.1149 -0.1688 -0.1489 -0.1442 0.1517 0.0668 0.0712 0.0627 0.0759 0.0682 0.0360 0.0600 0.0568 0.0780 0.0745 0.0604 0.0573 0.1132 0.1361 0.0909 0.0802 0.0790 0.1396 0.1538 0.1549 0.1593 0.1557 0.1570 1.2575 2.3993 2.1073 2.1108 2.9453 2.9404 3.9038 3.9165 3.8642 3.8651 3.8878 3.8850 3.8925 3.9370 4.2763 3.8886 3.8257 3.5694 3.9839 3.9065 4.0463 3.8774 3.8852 3.8514 4.2081 1.0093 1.0111 1.0078 1.0119 1.0130 1.0132 1.0038 1.0097 1.0110 1.0122 1.0081 1.0122 1.0262 1.0057 1.0041 1.0000 1.0001 1.0230 1.0101 1.0052 0.9923 0.9943 0.9893 1.2575 2.3993 2.1073 2.1108 2.9453 2.9404 3.9038 3.9165 3.8642 3.8651 3.8878 3.8850 3.8925 3.9370 4.2763 3.8886 3.8257 3.5694 3.9839 3.9065 4.0463 3.8774 3.8852 3.8514 4.2081 1.0093 1.0111 1.0078 1.0119 1.0130 1.0132 1.0038 1.0097 1.0110 1.0122 1.0081 1.0122 1.0262 1.0057 1.0041 1.0000 1.0001 1.0230 1.0101 1.0052 0.9923 0.9943 0.9893 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.1386 0.9411 1.2645 1.0456 0.8873 1.9082 1.1788 1.5618 1.5861 0.9448 0.9278 1.0072 1.0165 0.9279 1.0081 1.0146 0.9288 1.0060 0.9888 0.9399 0.9985 0.9998 0.9375 0.9961 1.0121 0.9362 1.0078 1.0116 0.9836 0.9857 0.9987 0.9953 0.9920 1.2619 1.5371 0.9295 1.3658 1.3155 1.4664 0.9773 1.4448 0.9831 1.3255 0.9459 1.3526 0.9912 1.3946 0.9898 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 -0.025894168 -1856.356602338155 71.90925 -69.89938 2.00986 21.39297 -22.44977 -1.05680 1.60135 0.31705 1.91840 2.97265 7.55588