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:-6.3139,-1.9337,-.7565;.8952,-2.1264,1.0729;-1.3135,-1.8001,-.0827;-1.1297,-.5638,1.7877;-3.6276,.7456,-1.1892;-4.7683,.0991,-1.1399;3.7006,1.6664,1.2239;4.7649,1.8949,.156;3.2313,.2217,1.3506;6.099,1.2156,.4413;2.08,.0859,2.3361;7.1738,1.5575,-.5829;1.5994,-1.3382,2.5536;8.5132,.9041,-.2808;-.6615,-1.3456,1.0157;-2.4754,-1.1727,-.4288;-2.4856,.1608,-.8674;-1.2664,.9837,-.9783;-.1205,.4949,-1.6044;-1.2712,2.2847,-.4778;-3.6511,-1.867,-.379;1.0031,1.2994,-1.7275;-.1441,3.0821,-.5974;.9949,2.5922,-1.2233;-4.7808,-1.1563,-.7692;2.8337,2.2957,.9989;4.0786,2.0129,2.1923;4.9327,2.9724,.0544;4.3837,1.558,-.8152;4.0572,-.4214,1.6702;2.9209,-.1423,.3652;5.9703,.1288,.4741;6.4456,1.5087,1.4392;2.3939,.4611,3.3156;1.2465,.7195,2.0235;6.836,1.2544,-1.5791;7.3004,2.644,-.6257;2.4292,-1.9918,2.8318;.8646,-1.4024,3.3562;8.8976,1.2156,.6929;9.2655,1.1659,-1.0268;8.4329,-.185,-.2667;-.1062,-.4997,-2.0307;-2.1551,2.6705,.0138;-3.6967,-2.896,-.0486;1.8824,.9164,-2.229;-.1556,4.0897,-.2025;1.872,3.219,-1.3218; 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 2457.9471056810 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 6.501e-06 Time for diagonalization 0.428 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 0.642 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:-6.3139,-1.9337,-.7565;.8952,-2.1264,1.0729;-1.3135,-1.8001,-.0827;-1.1297,-.5638,1.7877;-3.6276,.7456,-1.1892;-4.7683,.0991,-1.1399;3.7006,1.6664,1.2239;4.7649,1.8949,.156;3.2313,.2217,1.3506;6.099,1.2156,.4413;2.08,.0859,2.3361;7.1738,1.5575,-.5829;1.5994,-1.3382,2.5536;8.5132,.9041,-.2808;-.6615,-1.3456,1.0157;-2.4754,-1.1727,-.4288;-2.4856,.1608,-.8674;-1.2664,.9837,-.9783;-.1205,.4949,-1.6044;-1.2712,2.2847,-.4778;-3.6511,-1.867,-.379;1.0031,1.2994,-1.7275;-.1441,3.0821,-.5974;.9949,2.5922,-1.2233;-4.7808,-1.1563,-.7692;2.8337,2.2957,.9989;4.0786,2.0129,2.1923;4.9327,2.9724,.0544;4.3837,1.558,-.8152;4.0572,-.4214,1.6702;2.9209,-.1423,.3652;5.9703,.1288,.4741;6.4456,1.5087,1.4392;2.3939,.4611,3.3156;1.2465,.7195,2.0235;6.836,1.2544,-1.5791;7.3005,2.644,-.6257;2.4292,-1.9918,2.8318;.8646,-1.4024,3.3562;8.8976,1.2156,.6929;9.2655,1.1659,-1.0268;8.4329,-.185,-.2667;-.1062,-.4997,-2.0307;-2.1551,2.6705,.0138;-3.6967,-2.896,-.0486;1.8824,.9164,-2.229;-.1556,4.0897,-.2025;1.872,3.219,-1.3218; 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:-6.3139,-1.9337,-.7565;.8952,-2.1264,1.0729;-1.3135,-1.8001,-.0827;-1.1297,-.5638,1.7877;-3.6276,.7456,-1.1892;-4.7683,.0991,-1.1399;3.7006,1.6664,1.2239;4.7649,1.8949,.156;3.2313,.2217,1.3506;6.099,1.2156,.4413;2.08,.0859,2.3361;7.1738,1.5575,-.5829;1.5994,-1.3382,2.5536;8.5132,.9041,-.2808;-.6615,-1.3456,1.0157;-2.4754,-1.1727,-.4288;-2.4856,.1608,-.8674;-1.2664,.9837,-.9783;-.1205,.4949,-1.6044;-1.2712,2.2847,-.4778;-3.6511,-1.867,-.379;1.0031,1.2994,-1.7275;-.1441,3.0821,-.5974;.9949,2.5922,-1.2233;-4.7808,-1.1563,-.7692;2.8337,2.2957,.9989;4.0786,2.0129,2.1923;4.9327,2.9724,.0544;4.3837,1.558,-.8152;4.0572,-.4214,1.6702;2.9209,-.1423,.3652;5.9703,.1288,.4741;6.4456,1.5087,1.4392;2.3939,.4611,3.3156;1.2465,.7195,2.0235;6.836,1.2544,-1.5791;7.3004,2.644,-.6257;2.4292,-1.9918,2.8318;.8646,-1.4024,3.3562;8.8976,1.2156,.6929;9.2655,1.1659,-1.0268;8.4329,-.185,-.2667;-.1062,-.4997,-2.0307;-2.1551,2.6705,.0138;-3.6967,-2.896,-.0486;1.8824,.9164,-2.229;-.1556,4.0897,-.2025;1.872,3.219,-1.3218; 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 2782 GEPOL Volume 2809.5112 GEPOL Surface-area 1549.9306 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.1s) Overall time for CPCM initialization 1.2s -1856.33386633 2457.94710568 -4314.28097201 -7427.92290725 3113.64193524 -0.02488758 -3706.93885063 1850.60498430 2.00309568 100.000066776722 100.000066776722 200.000133553444 -138.233323605794 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 -2765.6761 -2421.1340 -525.6579 -523.7866 -393.9118 -393.8724 -284.4542 -282.7965 -282.6524 -281.6098 -280.9467 -280.5664 -280.3464 -279.9756 -279.9263 -279.8610 -279.8341 -279.8182 -279.4880 -279.2178 -279.1735 -279.1580 -279.1388 -279.1026 -278.9885 -260.9540 -219.6687 -199.7919 -199.5546 -199.5396 -163.9889 -163.8714 -163.7652 -34.6823 -32.1714 -31.8920 -28.0022 -27.0877 -26.4265 -25.7760 -25.4445 -25.0458 -24.2988 -23.8129 -23.6844 -23.4071 -22.4119 -21.7508 -21.4661 -20.5299 -19.8925 -19.5883 -19.3022 -18.9594 -18.7573 -18.2440 -18.1756 -17.5121 -17.0806 -16.7244 -16.2638 -15.9232 -15.7893 -15.6837 -15.5462 -15.3447 -15.1462 -14.9067 -14.8900 -14.5327 -14.4094 -14.2570 -14.2000 -14.0767 -13.6225 -13.4283 -13.3701 -12.8804 -12.8067 -12.7481 -12.7074 -12.4871 -12.2470 -12.0261 -11.9049 -11.7559 -11.6249 -11.5704 -11.4327 -11.2072 -11.0474 -10.9504 -10.8430 -10.7992 -10.6689 -10.4462 -9.7820 -9.7259 -9.4012 -9.1468 0.1946 0.3799 1.4459 1.8409 1.9742 2.6328 2.9669 3.1999 3.5138 3.5943 3.7690 3.9181 4.0900 4.3241 4.4086 4.4662 4.7096 4.7703 4.9114 4.9473 5.1296 5.2761 5.4371 5.5252 5.5852 5.6030 5.6726 5.8977 6.0133 6.0268 6.1441 6.2699 6.3388 6.5452 6.5738 6.7435 6.8930 6.9415 7.1295 7.2310 7.2620 7.4009 7.5981 7.7220 7.7717 7.9102 8.0234 8.0768 8.2128 8.3401 8.4488 8.4809 8.5719 8.6793 8.8693 8.9115 9.0028 9.2387 9.2749 9.3141 9.4249 9.4726 9.5052 9.7631 10.0041 10.0294 10.0344 10.2077 10.3490 10.4920 10.5647 10.6462 10.8078 10.8888 10.9373 10.9799 11.1234 11.2193 11.3319 11.4675 11.5634 11.6978 11.7553 11.8148 11.9272 11.9705 12.1084 12.2590 12.3836 12.5521 12.5741 12.7247 12.8157 12.8677 12.9357 13.0764 13.2929 13.3628 13.4092 13.5173 13.5435 13.5750 13.8773 13.9380 13.9807 14.1051 14.2163 14.2913 14.3207 14.4496 14.5610 14.6328 14.7595 14.8942 14.9214 14.9352 15.0081 15.0763 15.1314 15.2385 15.3933 15.4611 15.5212 15.5702 15.6593 15.7593 15.8483 15.9137 16.0854 16.2641 16.2746 16.3678 16.5375 16.6532 16.7199 16.7442 16.8095 17.0314 17.1491 17.1909 17.3134 17.4654 17.6424 17.8249 17.8707 17.9913 18.0825 18.2617 18.4169 18.5314 18.6632 18.8069 18.9294 18.9714 19.1512 19.2152 19.3274 19.5318 19.6749 19.8429 19.9652 20.0718 20.2576 20.3030 20.4298 20.5855 20.7795 20.8183 20.9831 21.0697 21.2394 21.4275 21.7181 21.8608 21.8697 22.0826 22.1631 22.2998 22.3439 22.5178 22.5804 22.6777 22.9125 22.9438 23.1704 23.3729 23.6069 23.6355 23.7358 23.9172 24.0771 24.2117 24.3754 24.6413 24.7759 25.0240 25.1400 25.2078 25.3201 25.5176 25.6128 25.7825 25.8624 26.1335 26.4217 26.5315 26.6320 26.7551 26.8885 27.0783 27.2195 27.3257 27.3529 27.7261 27.8680 28.0163 28.2175 28.3303 28.5109 28.6359 28.9137 28.9289 28.9563 29.0468 29.1984 29.4972 29.7827 29.8821 30.0012 30.1478 30.2514 30.3993 30.5958 30.6971 30.7733 30.9559 31.0332 31.2035 31.4709 31.5695 31.6803 31.9429 32.0683 32.1292 32.3001 32.3695 32.5280 32.6316 32.7128 32.8109 33.0306 33.0618 33.1757 33.3178 33.5211 33.6781 33.8508 34.1042 34.1630 34.3222 34.4200 34.5967 34.7937 34.9637 35.1089 35.1813 35.3341 35.4697 35.6102 35.8405 35.9281 35.9949 36.0571 36.4203 36.4659 36.5709 36.7488 36.8944 37.0474 37.0719 37.3028 37.5382 37.5952 37.8823 37.9310 38.0582 38.0787 38.2187 38.4875 38.5741 38.6228 38.6895 38.9268 39.0581 39.2160 39.3558 39.5343 39.7192 39.7519 39.8980 40.1448 40.2869 40.4348 40.6412 40.6990 40.9033 41.0986 41.2629 41.3297 41.4512 41.5176 41.7038 41.8822 41.9075 42.1132 42.1440 42.4742 42.5178 42.6336 42.6958 42.7255 42.9007 42.9327 43.1012 43.2020 43.2564 43.5357 43.6777 43.8044 43.8868 44.0039 44.1167 44.4062 44.5133 44.6861 44.7307 44.8463 44.9369 45.1518 45.2728 45.3770 45.4870 45.7431 45.7734 45.8480 46.0839 46.3317 46.5475 46.6049 46.6916 46.9340 46.9771 47.2476 47.2883 47.3234 47.4363 47.6065 47.8287 47.8691 47.9154 48.0072 48.3746 48.3962 48.5704 48.8065 49.0138 49.1892 49.2322 49.4707 49.6808 49.7740 49.8802 50.0592 50.1094 50.1985 50.6448 50.7514 50.9711 51.0330 51.1733 51.3710 51.4734 51.7123 51.8207 51.9308 52.2105 52.4780 52.6614 52.9015 52.9289 53.2898 53.5802 53.6166 53.6961 53.9937 54.0885 54.4480 54.9541 55.0566 55.2872 55.3303 55.6270 55.8661 56.1544 56.6047 56.6941 57.0684 57.2722 57.5949 57.6183 57.9374 58.1288 58.2075 58.5408 58.7878 58.9361 59.2077 59.3865 59.6791 59.7604 59.9545 60.0520 60.1341 60.2866 60.5239 60.5312 60.6788 60.8596 61.2223 61.2945 61.5011 61.9453 62.1471 62.3549 62.6269 62.7069 62.8285 62.9220 62.9871 63.3989 63.5102 63.6637 63.8947 64.3410 64.5934 64.9466 65.1043 65.3556 65.4785 65.5210 65.6876 65.7865 66.2068 66.2615 66.5775 66.8589 66.9746 67.4681 67.7179 67.8900 68.2061 68.5240 68.6606 68.8873 69.2529 69.5031 69.6574 69.9905 70.5332 70.6450 71.0915 71.3072 71.5162 71.8617 71.9788 72.1445 72.3787 72.5491 72.8512 72.9850 73.2617 73.3258 73.4797 73.8929 74.0871 74.2789 74.4641 74.7097 74.7920 74.9450 75.1355 75.2425 75.5370 75.6839 75.8752 76.0769 76.4314 76.9574 77.0558 77.3210 77.4028 77.5557 77.6365 77.8347 77.9070 78.2305 78.2795 78.6376 78.9301 79.2559 79.3822 79.5473 79.6641 79.7284 79.9249 80.1405 80.2122 80.2938 80.5832 80.6379 80.8128 81.0516 81.1982 81.2510 81.4954 81.6707 81.9380 82.0788 82.1892 82.4090 82.4410 82.6065 82.7650 83.0169 83.1263 83.3322 83.4571 83.4801 83.8845 83.9985 84.0917 84.2078 84.4513 84.5097 84.5675 84.7123 84.8226 85.0656 85.1032 85.2968 85.3842 85.5027 85.6830 85.8211 85.8922 85.9472 86.0975 86.2306 86.2921 86.5048 86.7456 86.7770 86.9290 87.0562 87.1187 87.2857 87.3223 87.5008 87.7396 87.7932 87.9159 88.1224 88.3119 88.3833 88.4626 88.5677 88.6391 88.9121 88.9443 88.9824 89.2141 89.3625 89.3955 89.5331 89.7564 89.7998 89.9019 90.1541 90.2410 90.2765 90.3299 90.4644 90.5733 90.7025 90.9540 91.0007 91.0514 91.2616 91.3810 91.4053 91.5256 91.6345 91.7874 91.8902 92.0374 92.0898 92.3120 92.5001 92.5276 92.7967 92.9215 92.9783 93.0177 93.2298 93.3870 93.6772 93.7646 93.8057 94.0614 94.1703 94.3499 94.4144 94.4739 94.5801 94.6861 94.8392 94.9845 95.1091 95.4005 95.4552 95.6413 95.8139 96.0480 96.3643 96.4874 96.7860 96.9008 97.0880 97.3551 97.5628 97.5799 97.8188 97.9330 98.0323 98.3287 98.3694 98.4657 98.9014 99.1042 99.2307 99.3357 99.3957 99.6229 99.7151 100.0112 100.1917 100.3876 100.4398 100.6187 100.6946 100.7900 101.0901 101.3161 101.4894 101.5171 101.7267 101.8535 101.9144 102.0411 102.1975 102.4324 102.4861 102.6094 102.9370 103.0638 103.1328 103.2158 103.3092 103.4875 103.7176 103.9058 104.1782 104.2539 104.7997 104.9619 105.1715 105.3303 105.6342 105.7339 105.9055 106.1091 106.2309 106.3473 106.5370 106.8867 106.9237 107.1912 107.2535 107.5588 107.8906 107.9023 107.9731 108.1533 108.3949 108.4803 108.6655 108.8174 108.9044 109.0183 109.1156 109.1685 109.4381 109.5407 109.6079 109.9600 110.0529 110.1309 110.2374 110.3757 110.4415 110.5024 110.7935 110.8587 111.1941 111.3491 111.4980 111.5631 111.8037 111.9958 112.3249 112.4548 112.6604 112.7459 112.8823 113.0246 113.1346 113.4871 113.5496 113.6915 113.8279 113.9024 113.9945 114.1910 114.3190 114.5619 114.5656 114.6697 114.9779 115.1170 115.1891 115.4711 115.5540 115.7881 115.9294 116.0302 116.2904 116.4653 116.5370 116.7646 116.8479 117.1611 117.2174 117.6659 117.7130 117.8598 117.9755 118.2339 118.4064 118.5019 118.5065 118.7606 118.8233 118.9605 119.0844 119.2063 119.2344 119.4269 119.5632 119.7347 119.9017 119.9743 120.0799 120.1280 120.3743 120.6795 120.7386 120.9494 121.0770 121.2725 121.4099 121.5856 121.7519 121.8949 121.9999 122.2402 122.7319 122.8298 122.9928 123.1922 123.6388 123.7323 124.1303 124.3551 124.5194 124.7968 125.0493 125.2084 125.7241 126.2574 126.3752 126.7795 126.9240 127.2465 127.4362 127.5597 127.9821 128.2401 128.4719 128.8458 129.0225 129.3243 129.6206 129.7773 129.8946 130.1589 130.3317 130.4546 130.6669 130.8843 131.0083 131.1572 131.2001 131.4944 131.8366 131.9574 132.0270 132.3379 132.6047 132.7859 133.1309 133.2603 133.2825 133.3661 133.7617 134.5181 134.5993 134.8504 135.0182 135.4561 135.6928 135.9885 136.0474 136.0911 136.4357 136.6447 136.8049 136.9101 137.2415 137.3550 137.6377 137.9858 138.1569 138.1988 138.6996 138.8069 139.0524 139.3218 139.5114 139.5438 139.7808 140.0211 140.2569 140.4181 140.7627 140.9875 141.2909 141.4110 141.9707 142.2294 142.6228 142.7856 143.0511 143.2763 143.6159 144.2684 144.5463 144.6846 145.1494 145.2059 145.5394 145.6887 145.9414 146.4670 146.5833 146.8002 147.5002 147.7442 148.3958 148.6875 148.8963 148.9235 149.2499 149.3193 149.4482 150.0046 150.0893 150.2918 150.7281 150.9743 151.0297 151.5111 151.6266 151.8620 151.8946 152.1691 152.8148 152.8749 153.0249 153.0482 153.2645 153.3484 153.7341 153.8166 154.1934 154.4140 154.5138 154.7921 154.9456 155.0558 155.3090 155.9190 156.1752 156.3287 156.8779 156.9833 157.2925 157.6954 158.0880 158.1933 158.3827 158.5822 158.9770 159.1685 159.2139 159.3131 159.5001 160.0310 160.3155 160.6687 160.8971 161.3522 161.6453 162.7527 163.4026 165.0926 165.9868 167.8725 168.7428 169.0664 170.4822 172.0899 173.6640 174.2822 176.6897 177.8785 179.2863 182.1392 184.4396 185.1190 185.8008 187.3134 187.9325 188.5325 189.1282 190.0436 191.7281 193.8579 195.5229 195.8696 198.1208 201.1398 202.3394 204.4263 221.2499 222.4412 223.0687 226.4990 228.8670 247.4481 257.7402 262.5157 294.5339 296.4976 311.8355 545.8752 619.8131 621.8503 626.4834 631.4686 631.8654 634.3434 634.7805 635.0995 636.4625 636.6957 637.4457 638.9871 640.4106 640.8646 642.0097 643.0463 643.6696 645.9852 659.5256 710.0420 880.8251 886.8142 1199.1674 1211.1865 -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 -0.045842 -0.045296 -0.288281 -0.379251 -0.142894 -0.195534 -0.150148 -0.133625 -0.140138 -0.102542 -0.129840 -0.084909 -0.127077 -0.276385 0.351466 0.163114 0.254710 0.045742 -0.187540 -0.180831 -0.131016 -0.180426 -0.154286 -0.145318 0.150986 0.077987 0.082296 0.072272 0.058079 0.085941 0.055998 0.058297 0.056085 0.089367 0.072225 0.054248 0.053635 0.127761 0.132511 0.076941 0.089143 0.076549 0.155734 0.140428 0.154744 0.160138 0.156413 0.168371 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 17.0458 16.0453 8.2883 8.3793 7.1429 7.1955 6.1501 6.1336 6.1401 6.1025 6.1298 6.0849 6.1271 6.2764 5.6485 5.8369 5.7453 5.9543 6.1875 6.1808 6.1310 6.1804 6.1543 6.1453 5.8490 0.9220 0.9177 0.9277 0.9419 0.9141 0.9440 0.9417 0.9439 0.9106 0.9278 0.9458 0.9464 0.8722 0.8675 0.9231 0.9109 0.9235 0.8443 0.8596 0.8453 0.8399 0.8436 0.8316 17.0000 16.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0458 -0.0453 -0.2883 -0.3793 -0.1429 -0.1955 -0.1501 -0.1336 -0.1401 -0.1025 -0.1298 -0.0849 -0.1271 -0.2764 0.3515 0.1631 0.2547 0.0457 -0.1875 -0.1808 -0.1310 -0.1804 -0.1543 -0.1453 0.1510 0.0780 0.0823 0.0723 0.0581 0.0859 0.0560 0.0583 0.0561 0.0894 0.0722 0.0542 0.0536 0.1278 0.1325 0.0769 0.0891 0.0765 0.1557 0.1404 0.1547 0.1601 0.1564 0.1684 1.2569 2.4055 2.1124 2.1233 2.9523 2.9397 3.8897 3.8974 3.8354 3.8661 3.8617 3.8857 3.8981 3.9470 4.2827 3.8763 3.8190 3.5363 3.8792 3.9974 4.0456 3.8541 3.9264 3.8403 4.2086 1.0091 1.0109 1.0118 1.0104 1.0109 1.0195 1.0085 1.0084 1.0099 1.0196 1.0060 1.0082 1.0087 1.0188 1.0010 1.0045 1.0014 1.0089 1.0184 1.0059 0.9944 0.9936 0.9845 1.2569 2.4055 2.1124 2.1233 2.9523 2.9397 3.8897 3.8974 3.8354 3.8661 3.8617 3.8857 3.8981 3.9470 4.2827 3.8763 3.8190 3.5363 3.8792 3.9974 4.0456 3.8541 3.9264 3.8403 4.2086 1.0091 1.0109 1.0118 1.0104 1.0109 1.0195 1.0085 1.0084 1.0099 1.0196 1.0060 1.0082 1.0087 1.0188 1.0010 1.0045 1.0014 1.0089 1.0184 1.0059 0.9944 0.9936 0.9845 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1374 0.9538 1.2501 1.0438 0.9034 1.9217 1.1704 1.5777 1.5945 0.9388 0.9167 1.0184 1.0043 0.9336 1.0101 1.0083 0.9199 0.9999 1.0050 0.9453 0.9988 1.0029 0.9312 0.9857 1.0187 0.9418 1.0015 1.0066 0.9775 0.9981 0.9957 1.0006 0.9956 1.2448 1.5382 0.9255 1.2965 1.3658 1.4282 0.9964 1.4737 0.9845 1.3220 0.9470 1.3664 0.9960 1.3933 0.9856 0.9802 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 -0.025818069 -1856.359684401088 84.41954 -81.77265 2.64690 22.73000 -23.81319 -1.08320 9.62424 -8.81461 0.80964 2.97235 7.55513