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:-5.9366,-.3885,.9256;1.0036,-2.9977,.2125;-1.267,-1.9738,-.1213;.0569,-.7207,1.1988;-2.9373,1.1481,-.8696;-4.1174,.9444,-.3317;4.4308,-.1036,1.9915;3.4833,1.0924,2.0335;4.5231,-.8117,.6411;3.8404,2.2079,1.0595;3.1923,-1.2928,.069;2.9585,3.4399,1.2158;2.5173,-2.3242,.958;3.3638,4.5793,.2937;-.1074,-1.6945,.5241;-2.2196,-.9938,-.1782;-1.9876,.2279,-.8286;-.7015,.574,-1.4621;-.0597,-.3081,-2.33;-.121,1.8119,-1.1907;-3.4426,-1.2291,.3832;1.1508,.0439,-2.9099;1.0881,2.1586,-1.7725;1.7295,1.2738,-2.6298;-4.3651,-.1978,.2591;4.1314,-.8194,2.7627;5.4349,.228,2.2731;3.487,1.4968,3.0506;2.4544,.7649,1.8517;5.2,-1.666,.7368;4.9858,-.1474,-.0934;3.7666,1.8477,.0275;4.8886,2.4933,1.2051;2.5245,-.4439,-.0955;3.3686,-1.7363,-.9135;1.916,3.1644,1.0267;2.9955,3.7829,2.2544;3.1595,-3.1967,1.0971;2.2759,-1.9456,1.9508;2.7004,5.4388,.3995;3.3401,4.2741,-.7546;4.3785,4.9199,.5087;-.5095,-1.2605,-2.5794;-.6077,2.5013,-.5134;-3.6694,-2.1537,.8963;1.6393,-.645,-3.5859;1.5301,3.1219,-1.5549;2.6755,1.5451,-3.0799; 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 2549.6812475453 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 6.048e-06 Time for diagonalization 0.438 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.211 sec Total time needed 0.654 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:-5.9366,-.3885,.9256;1.0036,-2.9977,.2125;-1.267,-1.9738,-.1213;.0569,-.7207,1.1989;-2.9373,1.1481,-.8696;-4.1174,.9444,-.3317;4.4308,-.1036,1.9915;3.4833,1.0924,2.0335;4.5231,-.8117,.6411;3.8404,2.2079,1.0595;3.1923,-1.2928,.069;2.9585,3.4399,1.2158;2.5173,-2.3242,.958;3.3638,4.5793,.2937;-.1074,-1.6945,.5241;-2.2196,-.9938,-.1782;-1.9876,.2279,-.8286;-.7015,.574,-1.4621;-.0597,-.3081,-2.33;-.121,1.8119,-1.1907;-3.4426,-1.2291,.3833;1.1508,.0439,-2.9099;1.0881,2.1586,-1.7725;1.7295,1.2738,-2.6298;-4.3651,-.1978,.2591;4.1314,-.8194,2.7627;5.4349,.228,2.2731;3.487,1.4968,3.0506;2.4544,.7649,1.8517;5.2,-1.666,.7368;4.9858,-.1474,-.0934;3.7666,1.8477,.0275;4.8886,2.4933,1.2051;2.5245,-.4439,-.0955;3.3686,-1.7363,-.9135;1.916,3.1644,1.0267;2.9955,3.7829,2.2544;3.1595,-3.1967,1.0971;2.2759,-1.9456,1.9508;2.7004,5.4388,.3995;3.3401,4.2741,-.7546;4.3785,4.9199,.5087;-.5095,-1.2605,-2.5794;-.6077,2.5013,-.5134;-3.6694,-2.1537,.8963;1.6393,-.645,-3.5859;1.5301,3.1219,-1.5549;2.6755,1.5451,-3.0799; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-5.9366,-.3885,.9256;1.0036,-2.9977,.2125;-1.267,-1.9738,-.1213;.0569,-.7207,1.1988;-2.9373,1.1481,-.8696;-4.1174,.9444,-.3317;4.4308,-.1036,1.9915;3.4833,1.0924,2.0335;4.5231,-.8117,.6411;3.8404,2.2079,1.0595;3.1923,-1.2928,.069;2.9585,3.4399,1.2158;2.5173,-2.3242,.958;3.3638,4.5793,.2937;-.1074,-1.6945,.5241;-2.2196,-.9938,-.1782;-1.9876,.2279,-.8286;-.7015,.574,-1.4621;-.0597,-.3081,-2.33;-.121,1.8119,-1.1907;-3.4426,-1.2291,.3832;1.1508,.0439,-2.9099;1.0881,2.1586,-1.7725;1.7295,1.2738,-2.6298;-4.3651,-.1978,.2591;4.1314,-.8194,2.7627;5.4349,.228,2.2731;3.487,1.4968,3.0506;2.4544,.7649,1.8517;5.2,-1.666,.7368;4.9858,-.1474,-.0934;3.7666,1.8477,.0275;4.8886,2.4933,1.2051;2.5245,-.4439,-.0955;3.3686,-1.7363,-.9135;1.916,3.1644,1.0267;2.9955,3.7829,2.2544;3.1595,-3.1967,1.0971;2.2759,-1.9456,1.9508;2.7004,5.4388,.3995;3.3401,4.2741,-.7546;4.3785,4.9199,.5087;-.5095,-1.2605,-2.5794;-.6077,2.5013,-.5134;-3.6694,-2.1537,.8963;1.6393,-.645,-3.5859;1.5301,3.1219,-1.5549;2.6755,1.5451,-3.0799; 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 2796 GEPOL Volume 2790.8070 GEPOL Surface-area 1542.5803 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.32231490 2549.68124755 -4406.00356244 -7611.63163845 3205.62807600 -0.02935416 -3706.93025398 1850.60793908 2.00308784 100.000151611272 100.000151611272 200.000303222545 -138.238402323078 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 -2765.6983 -2421.1455 -525.6828 -523.8306 -393.9449 -393.9039 -284.4985 -282.8076 -282.6722 -281.6297 -280.9325 -280.5071 -280.3472 -279.9534 -279.9187 -279.8361 -279.8136 -279.8002 -279.4368 -279.2139 -279.1272 -279.1205 -279.0643 -279.0516 -278.9506 -260.9768 -219.6801 -199.8147 -199.5775 -199.5625 -164.0001 -163.8822 -163.7777 -34.6762 -32.1900 -31.9098 -28.0279 -27.0944 -26.4358 -25.7761 -25.4589 -25.0177 -24.2716 -23.8166 -23.6757 -23.2838 -22.3838 -21.7382 -21.4454 -20.5790 -19.8839 -19.5892 -19.4463 -19.1603 -18.5952 -18.2125 -17.7253 -17.5077 -17.1222 -16.8841 -16.2762 -16.0039 -15.8929 -15.6727 -15.5464 -15.2115 -15.1235 -14.9836 -14.8848 -14.4754 -14.3916 -14.1734 -14.1127 -13.9818 -13.5326 -13.4673 -13.3328 -13.1540 -12.7842 -12.7644 -12.4971 -12.4500 -12.1968 -12.0074 -11.9699 -11.8090 -11.6740 -11.6321 -11.4583 -11.1389 -11.0252 -10.9113 -10.7742 -10.7312 -10.6000 -10.4335 -9.8182 -9.7340 -9.3785 -9.1595 0.1825 0.3766 1.3924 1.8608 1.9197 2.5696 2.9633 3.2146 3.5877 3.7392 3.8372 3.9985 4.1800 4.3399 4.4421 4.4937 4.5682 4.8487 4.9876 5.1852 5.2576 5.3396 5.4285 5.5781 5.6964 5.7745 5.9050 5.9753 5.9819 6.1848 6.2532 6.3148 6.4909 6.5529 6.5952 6.7673 6.8744 6.9926 7.2098 7.3136 7.4598 7.4872 7.6239 7.7852 7.8265 7.9365 8.0971 8.1626 8.2698 8.3251 8.3896 8.4189 8.5845 8.6843 8.8388 8.9465 9.0482 9.0974 9.2073 9.2940 9.6183 9.7232 9.8058 9.8823 10.0226 10.1647 10.2452 10.2790 10.4265 10.5668 10.6447 10.7386 10.8616 10.9474 11.0886 11.1939 11.2370 11.3025 11.3851 11.5437 11.7492 11.7894 11.9181 12.0098 12.0981 12.1718 12.2595 12.4850 12.5828 12.7167 12.7899 12.8404 12.9892 13.0539 13.1070 13.4549 13.4885 13.5182 13.7089 13.7922 13.9000 13.9702 13.9992 14.1340 14.2211 14.2715 14.3058 14.3286 14.4364 14.4767 14.5669 14.7457 14.8407 14.9094 14.9403 15.1063 15.1752 15.2379 15.2917 15.3032 15.5143 15.6043 15.6697 15.7310 15.8697 15.9644 16.0214 16.1628 16.2539 16.2591 16.3863 16.5919 16.6611 16.7094 16.8985 16.9236 17.0265 17.2423 17.2877 17.3277 17.5414 17.7154 17.8361 17.9124 18.0221 18.1636 18.2440 18.4218 18.6788 18.8031 18.9407 19.0575 19.1644 19.2865 19.3592 19.6927 19.7715 19.8015 19.9509 20.0947 20.1972 20.3708 20.4624 20.5265 20.5930 20.8055 21.0323 21.1279 21.1722 21.2951 21.4618 21.6584 21.8848 22.0562 22.1737 22.2644 22.3645 22.7053 22.8252 22.8829 22.9806 23.1575 23.2338 23.4281 23.5334 23.8585 23.8772 23.9608 24.0408 24.1559 24.4131 24.5485 24.7203 24.8654 25.0933 25.1326 25.4888 25.6647 25.7950 26.0032 26.1259 26.2917 26.3868 26.5608 26.7463 26.7932 27.0070 27.1693 27.2403 27.3686 27.5423 27.5659 27.6560 27.8965 28.1097 28.3509 28.5148 28.5804 28.6199 28.7788 28.9359 29.1269 29.2475 29.4565 29.7411 29.7920 30.0223 30.0524 30.1379 30.4593 30.6159 30.6783 30.7652 31.0158 31.1186 31.2679 31.4842 31.5957 31.7735 31.8566 32.0467 32.1066 32.2002 32.3210 32.5740 32.6146 32.7161 32.7612 33.0213 33.0728 33.3708 33.4795 33.5262 33.5589 33.7378 33.9704 34.1410 34.3478 34.5358 34.6652 34.7816 34.8931 35.0719 35.1152 35.3555 35.3970 35.5735 35.6727 35.7888 36.0100 36.1091 36.2728 36.4855 36.5954 36.7164 36.7950 36.9127 37.1308 37.4349 37.4571 37.6028 37.6814 37.7971 38.0716 38.1238 38.3105 38.3910 38.5149 38.6712 38.8658 38.9675 39.0115 39.3277 39.3953 39.5265 39.6025 39.7497 39.9569 40.1280 40.5069 40.5504 40.8049 40.9728 41.0531 41.2203 41.2901 41.3640 41.3974 41.5518 41.7659 41.8706 42.1317 42.2140 42.3256 42.3598 42.4689 42.7608 42.8192 43.0662 43.1435 43.3468 43.4334 43.6355 43.7573 43.8370 43.9154 44.0242 44.0468 44.2144 44.2412 44.3712 44.6296 44.7129 44.8371 45.0191 45.1178 45.1752 45.4284 45.5273 45.6451 45.7047 46.0261 46.1160 46.3950 46.4839 46.6567 46.7884 46.8792 46.9475 47.1712 47.2919 47.3906 47.4737 47.5176 47.7921 47.8940 48.0467 48.1213 48.2396 48.3905 48.5634 48.7294 48.8592 49.0352 49.2551 49.3349 49.7006 49.8405 49.9362 50.0369 50.2363 50.4165 50.5716 50.9137 50.9766 51.0950 51.2238 51.4250 51.5765 51.7310 51.8474 51.9711 52.1231 52.2306 52.4577 52.5979 52.8213 53.0179 53.1707 53.2664 53.5354 53.9253 54.0900 54.3265 54.6485 54.8619 54.9542 55.0235 55.4582 55.6766 55.7241 55.8131 56.2386 56.6297 56.6954 56.8585 57.0725 57.3605 57.5542 57.9747 58.2236 58.6655 58.7032 58.7771 58.9297 59.1774 59.2546 59.5111 59.7126 59.7684 60.0555 60.1449 60.1915 60.4045 60.7262 60.9746 61.0485 61.1346 61.2065 61.4582 61.6946 62.0544 62.1825 62.4428 62.5908 62.6979 62.8550 63.1231 63.3947 63.4811 63.8008 64.4213 64.5247 64.5964 64.7520 65.0176 65.3546 65.5483 65.5808 65.7383 65.8835 66.3620 66.5909 66.7020 66.8379 67.4261 67.4434 67.6020 68.1613 68.3353 68.6678 68.7329 68.9998 69.2435 69.3452 69.6306 69.9393 70.0981 70.7004 71.1262 71.4137 71.8827 72.0302 72.2033 72.3928 72.5449 72.6738 73.0447 73.1847 73.3336 73.5152 73.7666 74.1021 74.3606 74.4818 74.6293 74.7641 74.9880 75.0459 75.1851 75.4985 75.6212 75.8570 76.1567 76.3104 76.4318 76.6816 76.7081 77.0092 77.1847 77.5094 77.6564 77.9201 78.0784 78.1523 78.3833 78.5867 78.7614 79.2583 79.4657 79.6819 79.7301 79.9225 80.0050 80.1785 80.2917 80.4215 80.5849 80.7935 80.9224 80.9887 81.3087 81.4179 81.4325 81.7036 81.8260 82.0141 82.2262 82.2545 82.6792 82.7883 82.8413 82.9638 83.2218 83.5095 83.5829 83.7626 83.9632 84.0693 84.1722 84.3630 84.4896 84.5518 84.6568 84.7489 84.9803 85.0989 85.2203 85.3885 85.5418 85.6335 85.7519 85.8877 86.1130 86.1984 86.2335 86.4652 86.5926 86.6320 86.7654 86.9213 86.9801 87.0241 87.1080 87.4169 87.5482 87.6646 87.8495 87.9123 88.0789 88.2501 88.3197 88.3337 88.4650 88.6472 88.8202 89.0076 89.1407 89.1685 89.2900 89.3006 89.4928 89.6315 89.7341 89.8518 90.0549 90.1434 90.2802 90.3215 90.3953 90.7105 90.7345 90.7953 90.9682 91.1604 91.3739 91.5206 91.6132 91.7023 91.8145 91.8784 92.0579 92.1498 92.2617 92.4368 92.5957 92.6944 92.8304 92.9218 93.1079 93.1764 93.3574 93.4000 93.6160 93.6282 93.9039 94.2455 94.3221 94.4559 94.5713 94.7009 94.8099 94.8886 95.1392 95.2034 95.2442 95.3850 95.3939 95.6358 95.8993 96.0744 96.2139 96.4136 96.4807 96.6700 96.8818 97.1691 97.4929 97.6010 97.6453 97.7997 97.9304 97.9425 98.4524 98.6019 98.7349 98.9148 99.0431 99.1444 99.2630 99.3289 99.5328 99.8526 100.0039 100.2416 100.4144 100.4802 100.7161 100.7239 100.8707 101.0595 101.2361 101.5091 101.6943 101.7580 101.8629 102.1466 102.2191 102.4623 102.5984 102.8646 103.0394 103.1379 103.3012 103.4434 103.7333 103.8950 103.9966 104.0480 104.2166 104.3736 104.6113 104.9589 105.0698 105.2236 105.3998 105.5850 105.7102 105.7513 105.9465 106.0607 106.1896 106.4349 106.7535 106.8222 106.9738 107.2749 107.4493 107.6006 107.8388 108.0610 108.2306 108.3091 108.4780 108.7224 108.7904 109.0182 109.1042 109.3955 109.6045 109.7658 109.8004 109.9896 110.0158 110.0910 110.2804 110.3203 110.5492 110.6503 110.9543 111.0472 111.2793 111.3083 111.6264 111.7466 111.8154 112.0768 112.0966 112.2319 112.5685 112.6415 112.6863 112.8645 112.9419 113.3780 113.5156 113.5633 113.6771 113.8464 113.9815 114.0779 114.3580 114.4068 114.6185 114.6752 114.8439 114.9196 115.2171 115.3551 115.6285 115.7718 115.8541 116.1024 116.2123 116.4584 116.6316 116.7534 116.8837 117.1460 117.4040 117.6302 117.7027 117.7503 117.9329 118.2374 118.3481 118.5573 118.6176 118.6933 118.8502 118.9796 119.0670 119.3317 119.4359 119.5438 119.7891 119.8929 120.0611 120.1173 120.2567 120.4714 120.7127 120.8572 121.0046 121.0647 121.1314 121.2864 121.3415 121.6401 121.8380 121.8948 122.3745 122.5706 122.6710 122.7687 122.8501 123.2016 123.5143 123.8951 124.1662 124.4088 124.6834 124.9326 125.1034 125.7915 125.8749 126.0987 126.4834 126.6649 126.8236 127.0896 127.3111 127.4570 127.8147 128.0178 128.2625 128.5096 129.0239 129.1724 129.6825 129.9472 129.9694 130.0272 130.2241 130.4155 130.6444 130.7910 130.9608 131.1032 131.2576 131.5232 131.6277 131.8952 131.9974 132.2079 132.4269 132.6291 132.7104 132.8386 133.0836 133.2300 133.4285 134.1495 134.3518 134.5795 134.8333 134.9306 135.1852 135.2200 135.7350 135.9479 136.0677 136.5328 136.6615 136.8183 137.0128 137.1779 137.2654 137.5602 137.7263 138.1035 138.1570 138.5289 138.7674 138.9835 139.1923 139.4611 139.6590 139.8666 139.8937 140.1622 140.3431 140.4214 140.6712 140.8979 141.2388 141.4243 141.7769 142.3259 142.4143 142.7827 143.1065 143.3115 143.5915 144.1393 144.5497 144.7883 145.0236 145.1972 145.3695 145.8429 146.4974 146.8944 147.3389 147.7055 147.9028 148.3633 148.6092 148.9880 149.0812 149.2655 149.5805 149.7710 149.7765 149.8593 150.3200 150.4943 150.5754 150.8910 150.9899 151.7759 151.9425 152.0881 152.2435 152.7705 152.9791 153.0724 153.2286 153.2988 153.4231 153.5814 154.0449 154.2280 154.3365 154.4269 154.8975 155.0086 155.3194 155.4709 155.5484 155.9502 156.1634 156.5876 156.8829 157.1214 157.2350 157.9956 158.1856 158.3366 158.4872 159.0524 159.3451 159.3849 159.6425 159.8697 160.2976 160.4042 160.7264 160.8811 161.3035 161.9339 161.9736 162.8046 163.1012 165.2470 165.8895 167.9138 168.7662 169.0721 170.4197 172.2504 173.5263 174.2175 177.2566 177.8157 179.4141 181.9154 184.4640 185.0963 185.8316 187.3064 187.8964 188.5048 189.1742 189.9232 191.8856 193.7354 195.5187 196.4678 198.0179 201.2008 202.5416 204.4732 221.2290 222.4253 223.0454 226.4926 228.8758 246.9598 258.4118 262.9873 294.5117 296.4857 311.8414 546.3561 619.8010 622.9117 626.3730 631.3544 632.0294 634.4347 634.8276 635.4378 636.7679 637.6250 637.8081 640.0906 640.9458 643.3505 643.6986 643.8495 644.3925 646.4130 659.6014 710.2227 880.8030 886.9242 1199.4681 1211.3112 -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 -0.045640 -0.042891 -0.284166 -0.400901 -0.146279 -0.204003 -0.165434 -0.096676 -0.151872 -0.125842 -0.095700 -0.105488 -0.115123 -0.286558 0.366051 0.172726 0.254263 0.017331 -0.161383 -0.158908 -0.130872 -0.195279 -0.223758 -0.108128 0.153958 0.080006 0.075539 0.075806 0.052416 0.084979 0.082934 0.049912 0.070962 0.009580 0.096936 0.053702 0.069653 0.135736 0.119731 0.094653 0.072698 0.088086 0.161699 0.143600 0.156286 0.158462 0.187028 0.160168 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 16.0429 8.2842 8.4009 7.1463 7.2040 6.1654 6.0967 6.1519 6.1258 6.0957 6.1055 6.1151 6.2866 5.6339 5.8273 5.7457 5.9827 6.1614 6.1589 6.1309 6.1953 6.2238 6.1081 5.8460 0.9200 0.9245 0.9242 0.9476 0.9150 0.9171 0.9501 0.9290 0.9904 0.9031 0.9463 0.9303 0.8643 0.8803 0.9053 0.9273 0.9119 0.8383 0.8564 0.8437 0.8415 0.8130 0.8398 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 -0.0429 -0.2842 -0.4009 -0.1463 -0.2040 -0.1654 -0.0967 -0.1519 -0.1258 -0.0957 -0.1055 -0.1151 -0.2866 0.3661 0.1727 0.2543 0.0173 -0.1614 -0.1589 -0.1309 -0.1953 -0.2238 -0.1081 0.1540 0.0800 0.0755 0.0758 0.0524 0.0850 0.0829 0.0499 0.0710 0.0096 0.0969 0.0537 0.0697 0.1357 0.1197 0.0947 0.0727 0.0881 0.1617 0.1436 0.1563 0.1585 0.1870 0.1602 1.2577 2.4216 2.1220 2.0843 2.9478 2.9361 3.9065 3.8372 3.9138 3.8375 3.8845 3.8716 3.8867 3.9369 4.2499 3.8783 3.8225 3.5564 3.8407 3.9535 4.0426 3.8863 3.9026 3.8071 4.2109 1.0046 1.0102 1.0136 1.0141 1.0079 1.0024 1.0068 1.0122 1.0240 1.0157 1.0065 1.0106 1.0084 1.0213 1.0032 1.0018 1.0017 1.0061 1.0188 1.0055 0.9938 0.9676 0.9910 1.2577 2.4216 2.1220 2.0843 2.9478 2.9361 3.9065 3.8372 3.9138 3.8375 3.8845 3.8716 3.8867 3.9369 4.2499 3.8783 3.8225 3.5564 3.8407 3.9535 4.0426 3.8863 3.9026 3.8071 4.2109 1.0046 1.0102 1.0136 1.0141 1.0079 1.0024 1.0068 1.0122 1.0240 1.0157 1.0065 1.0106 1.0084 1.0213 1.0032 1.0018 1.0017 1.0061 1.0188 1.0055 0.9938 0.9676 0.9910 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1410 0.9532 1.2625 1.0470 0.9095 1.8776 1.1680 1.5753 1.5941 0.9284 0.9282 1.0168 1.0091 0.9174 1.0086 1.0073 0.9354 1.0092 1.0076 0.9226 1.0082 1.0029 0.9265 1.0073 0.9936 0.9373 1.0122 1.0026 0.9736 1.0019 1.0013 0.9950 0.9951 1.2474 1.5354 0.9227 1.2969 1.3700 1.4215 0.9963 1.4546 0.9880 1.3238 0.9465 1.3807 1.0009 1.3630 0.9790 0.9952 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 -0.028852030 -1856.351166925482 66.24021 -63.84006 2.40016 20.83254 -22.85066 -2.01811 5.18272 -5.12324 0.05948 3.13641 7.97212