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:-6.2288,-2.163,-.9626;.748,-1.6858,1.5957;-1.3647,-1.6245,.24;-1.2902,.0069,1.7914;-3.6327,.579,-1.5223;-4.743,-.1202,-1.4951;3.9465,1.6813,.831;5.1067,1.4168,-.1238;3.2624,.4181,1.3381;6.2955,.7097,.516;2.044,.7177,2.1995;7.4693,.5312,-.4383;1.419,-.5198,2.82;8.6658,-.1419,.216;-.7851,-.9341,1.2538;-2.4995,-1.1154,-.3266;-2.5132,.127,-.9811;-1.3299,.9988,-1.0952;-.0957,.4963,-1.506;-1.4563,2.3571,-.8085;-3.6433,-1.8622,-.2925;.9959,1.3444,-1.624;-.3622,3.1993,-.9245;.8659,2.6953,-1.3325;-4.7456,-1.2976,-.9226;3.2052,2.3062,.3239;4.3045,2.2693,1.6831;5.4472,2.3709,-.5382;4.7473,.8291,-.9762;3.9668,-.1845,1.9194;2.9668,-.1966,.4811;5.9935,-.2721,.8937;6.6251,1.2821,1.3905;2.3349,1.3724,3.0269;1.2967,1.2688,1.6215;7.1463,-.0555,-1.3037;7.7691,1.5081,-.8299;2.1666,-1.1004,3.3633;.6307,-.2741,3.5305;8.4086,-1.1354,.5884;9.0325,.4402,1.0637;9.4943,-.2583,-.484;.0155,-.5489,-1.7639;-2.4086,2.7532,-.4814;-3.6845,-2.8253,.1975;1.949,.948,-1.9492;-.469,4.2511,-.6946;1.7191,3.3544,-1.4242; 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 2450.4827389114 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 6.451e-06 Time for diagonalization 0.433 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.212 sec Total time needed 0.650 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:-6.2288,-2.163,-.9626;.748,-1.6858,1.5957;-1.3647,-1.6245,.24;-1.2902,.0069,1.7914;-3.6327,.579,-1.5223;-4.743,-.1202,-1.4951;3.9465,1.6813,.831;5.1067,1.4168,-.1238;3.2624,.4181,1.3381;6.2955,.7097,.516;2.044,.7177,2.1995;7.4693,.5312,-.4383;1.419,-.5198,2.82;8.6658,-.1419,.216;-.7851,-.9341,1.2538;-2.4995,-1.1154,-.3266;-2.5132,.127,-.9811;-1.3299,.9988,-1.0952;-.0957,.4963,-1.506;-1.4563,2.3571,-.8085;-3.6433,-1.8622,-.2925;.9959,1.3444,-1.624;-.3622,3.1993,-.9245;.8659,2.6953,-1.3325;-4.7456,-1.2976,-.9226;3.2052,2.3062,.3239;4.3045,2.2693,1.6831;5.4472,2.3709,-.5382;4.7473,.8291,-.9762;3.9668,-.1845,1.9194;2.9668,-.1966,.4811;5.9935,-.2721,.8937;6.6251,1.2821,1.3905;2.3349,1.3724,3.0269;1.2967,1.2688,1.6215;7.1463,-.0555,-1.3037;7.7691,1.5081,-.8299;2.1666,-1.1004,3.3633;.6307,-.2741,3.5305;8.4086,-1.1354,.5884;9.0325,.4402,1.0637;9.4943,-.2583,-.484;.0155,-.5489,-1.7639;-2.4086,2.7532,-.4814;-3.6845,-2.8253,.1975;1.949,.948,-1.9492;-.469,4.2511,-.6946;1.7191,3.3544,-1.4242; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.2288,-2.163,-.9626;.748,-1.6858,1.5957;-1.3647,-1.6245,.24;-1.2902,.0069,1.7914;-3.6327,.579,-1.5223;-4.743,-.1202,-1.4951;3.9465,1.6813,.831;5.1067,1.4168,-.1238;3.2624,.4181,1.3381;6.2955,.7097,.516;2.044,.7177,2.1995;7.4693,.5312,-.4383;1.419,-.5198,2.82;8.6658,-.1419,.216;-.7851,-.9341,1.2538;-2.4995,-1.1154,-.3266;-2.5132,.127,-.9811;-1.3299,.9988,-1.0952;-.0957,.4963,-1.506;-1.4563,2.3571,-.8085;-3.6433,-1.8622,-.2925;.9959,1.3444,-1.624;-.3622,3.1993,-.9245;.8659,2.6953,-1.3325;-4.7456,-1.2976,-.9226;3.2052,2.3062,.3239;4.3045,2.2693,1.6831;5.4472,2.3709,-.5382;4.7473,.8291,-.9762;3.9668,-.1845,1.9194;2.9668,-.1966,.4811;5.9935,-.2721,.8937;6.6251,1.2821,1.3905;2.3349,1.3724,3.0269;1.2967,1.2688,1.6215;7.1463,-.0555,-1.3037;7.7691,1.5081,-.8299;2.1666,-1.1004,3.3633;.6307,-.2741,3.5305;8.4086,-1.1354,.5884;9.0325,.4402,1.0637;9.4943,-.2583,-.484;.0155,-.5489,-1.7639;-2.4086,2.7532,-.4814;-3.6845,-2.8253,.1975;1.949,.948,-1.9492;-.469,4.2511,-.6946;1.7191,3.3544,-1.4242; 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 2801 GEPOL Volume 2778.8493 GEPOL Surface-area 1538.0757 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.32321455 2450.48273891 -4306.80595346 -7412.96142055 3106.15546709 -0.02965388 -3706.93551906 1850.61230450 2.00308596 99.999925446487 99.999925446487 199.999850892975 -138.236588473987 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 -2765.6969 -2421.1270 -525.6819 -523.8271 -393.9405 -393.9022 -284.4966 -282.8054 -282.6779 -281.6318 -280.9314 -280.5217 -280.3434 -279.9569 -279.9156 -279.8375 -279.8172 -279.8058 -279.4624 -279.1720 -279.1297 -279.1120 -279.0877 -279.0500 -278.9506 -260.9754 -219.6629 -199.8132 -199.5760 -199.5610 -163.9832 -163.8652 -163.7598 -34.6669 -32.1953 -31.9166 -28.0280 -27.0943 -26.4361 -25.7717 -25.4564 -25.0141 -24.2690 -23.8103 -23.6765 -23.3873 -22.3847 -21.7463 -21.4628 -20.4953 -19.9041 -19.5819 -19.2888 -18.9426 -18.7209 -18.2175 -18.1448 -17.4997 -17.0951 -16.7588 -16.2663 -15.9589 -15.7970 -15.6750 -15.5485 -15.3161 -15.1439 -14.9001 -14.8507 -14.5171 -14.3926 -14.2318 -14.1821 -14.0368 -13.5855 -13.4497 -13.3577 -12.8467 -12.7858 -12.7774 -12.6964 -12.4947 -12.2294 -12.0131 -11.8780 -11.7803 -11.6389 -11.5496 -11.4137 -11.1968 -11.0193 -10.9103 -10.8243 -10.7729 -10.6418 -10.4353 -9.8155 -9.7368 -9.4078 -9.1400 0.1865 0.3641 1.4265 1.8763 1.9311 2.6649 2.9629 3.2896 3.5596 3.7108 3.8073 3.9511 4.1123 4.3437 4.4352 4.5978 4.7436 4.7480 4.9197 5.0453 5.1826 5.2793 5.4351 5.5319 5.6302 5.6766 5.7389 5.9713 6.0120 6.0742 6.1212 6.2799 6.3452 6.5692 6.7143 6.7640 6.9588 7.0630 7.1424 7.2959 7.3366 7.4180 7.5292 7.6753 7.7714 7.9704 8.0319 8.1814 8.2556 8.2825 8.3992 8.4634 8.6287 8.7629 8.8389 8.9337 9.0702 9.1714 9.2255 9.3335 9.4195 9.5324 9.5698 9.7556 9.8650 10.0398 10.0760 10.1333 10.3002 10.4838 10.5457 10.7774 10.8135 10.9005 11.0130 11.0460 11.1528 11.1868 11.3234 11.4879 11.5711 11.6753 11.7194 11.8009 11.9215 11.9735 12.0860 12.3376 12.3612 12.5305 12.6158 12.7604 12.8385 12.9333 13.0664 13.1727 13.2919 13.3248 13.4197 13.5420 13.5915 13.6805 13.8116 13.9371 13.9861 14.0409 14.2292 14.2505 14.3637 14.4287 14.4776 14.6268 14.7340 14.8828 14.8950 15.0082 15.0583 15.1519 15.1979 15.3155 15.4059 15.4887 15.5232 15.7402 15.7461 15.7933 15.9549 16.0404 16.1594 16.2723 16.3247 16.5150 16.5487 16.5894 16.7351 16.8138 16.8783 16.9492 17.2205 17.3208 17.3512 17.4698 17.6659 17.7708 17.9673 18.0871 18.1116 18.2111 18.3409 18.5937 18.6580 18.7929 18.8154 18.9195 19.1130 19.1908 19.5034 19.5409 19.6602 19.9171 19.9459 20.1225 20.1861 20.3044 20.4622 20.5186 20.7763 20.8980 21.0367 21.0886 21.3744 21.4891 21.6976 21.7259 21.9706 22.0384 22.2071 22.3263 22.4021 22.5426 22.6960 22.8785 23.0790 23.1161 23.2641 23.4385 23.5975 23.6675 23.8501 24.0337 24.1063 24.2215 24.4480 24.4910 24.7238 24.9216 25.1166 25.1605 25.3496 25.4990 25.6834 25.7675 25.8712 25.9926 26.4257 26.4319 26.6605 26.7963 26.9140 27.0101 27.1123 27.3291 27.4450 27.7781 27.9301 28.0885 28.2968 28.4190 28.5080 28.6350 28.7609 28.8520 29.0231 29.1103 29.3506 29.3808 29.6340 29.7838 29.9545 30.2329 30.3718 30.4522 30.7346 30.8229 30.9123 31.0510 31.1114 31.2627 31.5177 31.5373 31.6431 31.8316 32.1417 32.1974 32.2733 32.3656 32.4951 32.6806 32.7390 32.7771 32.9076 33.2367 33.2623 33.5132 33.5305 33.7342 33.9589 34.0747 34.1733 34.3337 34.4713 34.7195 34.8022 34.9045 35.0185 35.1153 35.2571 35.5620 35.6441 35.8422 35.9058 35.9816 36.0517 36.2604 36.6164 36.8445 36.8962 36.9565 37.0664 37.2116 37.4054 37.4204 37.6808 37.9140 37.9687 37.9891 38.0124 38.2113 38.4549 38.5465 38.6591 38.7857 38.9557 39.0735 39.2132 39.4726 39.5718 39.6744 39.7850 39.9088 40.2047 40.3374 40.4911 40.5130 40.6732 40.9095 41.1209 41.1918 41.2668 41.3806 41.5220 41.6330 41.6915 41.9658 42.0049 42.1314 42.4509 42.5903 42.6191 42.7747 42.9231 42.9853 43.0703 43.1829 43.2531 43.3681 43.5427 43.7322 43.7601 43.9854 44.1122 44.2721 44.3008 44.3854 44.5274 44.6849 44.7396 44.9441 45.0536 45.2270 45.4299 45.5572 45.7649 45.8499 46.0926 46.2469 46.3527 46.5453 46.5651 46.7651 46.8527 47.0250 47.1824 47.2480 47.3728 47.4071 47.5393 47.7065 47.8342 47.9175 48.1535 48.2736 48.3604 48.7130 48.8580 48.9293 49.2722 49.3336 49.5828 49.6732 49.8366 49.8524 50.1100 50.1901 50.3466 50.4792 50.8558 50.8886 51.2138 51.3349 51.4592 51.5782 51.7375 51.8644 51.9955 52.3421 52.5860 52.7044 52.8209 53.0042 53.2301 53.4337 53.6512 53.8438 54.0059 54.2305 54.6327 54.9140 55.1420 55.3584 55.5551 55.7295 56.0510 56.1398 56.5517 56.6612 56.9063 57.2860 57.5048 57.8282 57.9656 58.0777 58.3023 58.6509 58.8076 58.9483 59.1842 59.2784 59.6405 59.8180 59.9374 60.0607 60.2174 60.2966 60.4030 60.7041 60.8779 60.9364 61.1274 61.1685 61.4488 62.0465 62.2145 62.2490 62.5714 62.7658 62.8584 62.8985 63.0899 63.3569 63.4685 63.7631 64.0686 64.3896 64.7839 64.9344 65.0064 65.3610 65.4906 65.5042 65.6870 65.9074 66.0984 66.2650 66.6645 66.7805 67.0610 67.4998 67.7913 67.9194 68.2186 68.5615 68.6104 69.0993 69.3944 69.5345 69.7161 70.0349 70.5642 70.7374 71.0800 71.2503 71.5264 71.8537 71.8818 72.2474 72.2868 72.5484 72.8649 72.9924 73.2662 73.4020 73.4818 73.8577 74.1097 74.2819 74.4756 74.6203 74.7801 75.0851 75.1358 75.2758 75.4901 75.6320 75.8648 76.1612 76.4940 76.7561 76.8878 77.1456 77.4943 77.5928 77.6396 77.8209 78.1473 78.2018 78.5550 78.7631 79.0520 79.2975 79.4678 79.5205 79.6009 79.8309 79.8479 80.0584 80.2170 80.2949 80.4791 80.6984 80.9174 80.9849 81.1956 81.4154 81.5417 81.5929 82.0009 82.1098 82.3017 82.5133 82.5452 82.7200 82.7620 83.0152 83.0954 83.3205 83.4100 83.7940 83.9521 84.0652 84.1751 84.2787 84.4346 84.5685 84.6351 84.7437 84.8834 84.9844 85.0808 85.3518 85.4499 85.6906 85.7408 85.7877 85.9548 86.0604 86.1566 86.2115 86.3151 86.4886 86.6600 86.8908 86.9636 87.0859 87.2094 87.2672 87.5215 87.5922 87.6097 87.8306 87.9422 88.1620 88.2086 88.3386 88.4888 88.6131 88.7754 88.8946 88.9254 89.1096 89.2997 89.3495 89.5348 89.5847 89.7941 89.8541 90.0270 90.0999 90.2408 90.3408 90.3808 90.5592 90.6681 90.7554 90.8943 90.9989 91.1289 91.2163 91.3717 91.5615 91.6029 91.7603 91.8631 91.8742 92.0727 92.2257 92.4250 92.4334 92.6505 92.8437 92.8716 93.0009 93.1216 93.3170 93.3723 93.6330 93.7136 93.8990 94.0091 94.1485 94.2851 94.4429 94.6017 94.7172 94.8219 94.9425 95.0195 95.3514 95.4376 95.4786 95.5879 95.8403 95.9605 96.1148 96.6137 96.6890 96.7982 97.0053 97.2691 97.5497 97.6990 97.8369 97.9840 98.0944 98.2699 98.3806 98.5715 99.0174 99.0865 99.3309 99.3360 99.4526 99.6486 99.7371 100.0459 100.1410 100.4167 100.4918 100.6415 100.7625 100.8142 101.1204 101.1992 101.4157 101.4658 101.7787 101.8250 101.9254 102.0845 102.2016 102.2884 102.5746 102.7990 102.9760 103.1243 103.2205 103.2805 103.3477 103.5951 103.8057 103.9822 104.1975 104.3312 104.9039 105.0641 105.2688 105.3141 105.8068 105.8726 105.9792 106.0558 106.1746 106.3515 106.4672 106.8966 107.0029 107.1656 107.2393 107.4662 107.8228 107.9667 108.0955 108.3598 108.4104 108.5173 108.7296 108.8212 108.8923 109.0765 109.1218 109.2397 109.4703 109.6745 109.7913 109.9862 110.0437 110.1793 110.2427 110.5166 110.5413 110.5921 110.9547 110.9741 111.1825 111.4410 111.5814 111.6407 111.7939 111.9642 112.3875 112.5410 112.6717 112.8919 112.9875 113.0737 113.1714 113.3744 113.5439 113.6746 113.8199 113.9413 113.9575 114.2541 114.3190 114.4716 114.5562 114.6263 115.0362 115.1865 115.2794 115.4066 115.5817 115.7860 116.0887 116.1253 116.2923 116.4469 116.5774 116.7236 116.8456 117.0614 117.3144 117.6695 117.7812 117.9440 118.0539 118.2256 118.2375 118.3880 118.4528 118.6468 118.7770 118.9287 119.1257 119.1800 119.4356 119.5392 119.6722 119.7485 119.9240 120.0249 120.1227 120.2904 120.4743 120.5767 120.7719 120.8632 121.1970 121.3567 121.4506 121.6095 121.7684 121.8609 122.0235 122.2958 122.5758 122.9504 123.1817 123.3031 123.7135 123.8808 124.2229 124.3321 124.7082 124.9646 125.0539 125.3672 125.8867 126.1949 126.3499 126.8109 127.0451 127.1538 127.4623 127.6778 128.1185 128.2864 128.5695 128.8888 129.0257 129.5320 129.7322 129.8827 129.9506 130.1058 130.3923 130.5724 130.6674 130.9023 130.9759 131.1940 131.2438 131.6159 131.8678 132.0228 132.3142 132.3844 132.6094 132.9140 133.2286 133.2960 133.3608 133.5050 133.7504 134.5903 134.6513 134.9530 135.0813 135.4909 135.8071 136.0037 136.0853 136.1269 136.4636 136.6357 136.9237 136.9482 137.2185 137.2809 137.7109 138.0069 138.2009 138.2945 138.7617 138.8477 139.0708 139.4577 139.4914 139.6177 139.7659 140.1093 140.1749 140.3997 140.7799 141.0926 141.4025 141.5005 142.0407 142.1809 142.6175 142.7478 143.0585 143.2376 143.8150 144.1867 144.5413 144.7691 145.1827 145.2915 145.5319 145.7049 146.0536 146.3545 146.5755 146.8637 147.6048 147.8839 148.5120 148.7977 148.9195 148.9846 149.0983 149.3544 149.3881 150.0172 150.1323 150.3216 150.7177 150.9280 151.0866 151.4941 151.7179 151.8205 152.0177 152.1761 152.7775 152.9277 153.0287 153.1735 153.3440 153.3739 153.8580 154.0602 154.1956 154.2964 154.5124 154.9344 155.1290 155.2255 155.4640 156.0597 156.1610 156.4798 156.8755 157.1181 157.4105 157.9405 158.0671 158.1814 158.3118 158.6833 159.0051 159.2418 159.2918 159.4009 159.5152 160.1347 160.3617 160.6907 161.0770 161.3791 161.7305 162.9420 163.0086 165.2725 165.8937 167.8887 168.7861 169.0621 170.4184 172.0983 173.5308 174.0792 176.9245 177.7847 179.2300 181.8640 184.3994 185.1345 185.8425 187.3131 187.9122 188.5922 189.0678 190.1886 191.8020 193.5944 195.4738 195.8731 198.0302 201.2260 202.3543 204.4507 221.2276 222.4214 223.0461 226.4853 228.8723 247.6480 257.7418 262.5944 294.5117 296.4866 311.8315 545.9180 619.8000 622.3359 626.3258 631.2636 631.9263 634.4463 634.7864 635.2501 636.6100 636.9107 637.4873 639.4781 640.2339 640.9195 641.9427 643.0787 643.6628 646.1263 659.5157 710.1850 880.7883 886.8525 1199.3549 1211.2537 -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 -0.045782 -0.044571 -0.284664 -0.398391 -0.147854 -0.203725 -0.150937 -0.125908 -0.141551 -0.106507 -0.128333 -0.084177 -0.124387 -0.279382 0.363216 0.180518 0.256489 0.020018 -0.173382 -0.184395 -0.133499 -0.196779 -0.159714 -0.128354 0.153112 0.074763 0.078405 0.071133 0.060939 0.088179 0.060299 0.059300 0.056530 0.091271 0.063797 0.055104 0.053300 0.129689 0.131457 0.077229 0.077784 0.089882 0.161319 0.142924 0.156792 0.162410 0.159632 0.166799 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 16.0446 8.2847 8.3984 7.1479 7.2037 6.1509 6.1259 6.1416 6.1065 6.1283 6.0842 6.1244 6.2794 5.6368 5.8195 5.7435 5.9800 6.1734 6.1844 6.1335 6.1968 6.1597 6.1284 5.8469 0.9252 0.9216 0.9289 0.9391 0.9118 0.9397 0.9407 0.9435 0.9087 0.9362 0.9449 0.9467 0.8703 0.8685 0.9228 0.9222 0.9101 0.8387 0.8571 0.8432 0.8376 0.8404 0.8332 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 -0.0446 -0.2847 -0.3984 -0.1479 -0.2037 -0.1509 -0.1259 -0.1416 -0.1065 -0.1283 -0.0842 -0.1244 -0.2794 0.3632 0.1805 0.2565 0.0200 -0.1734 -0.1844 -0.1335 -0.1968 -0.1597 -0.1284 0.1531 0.0748 0.0784 0.0711 0.0609 0.0882 0.0603 0.0593 0.0565 0.0913 0.0638 0.0551 0.0533 0.1297 0.1315 0.0772 0.0778 0.0899 0.1613 0.1429 0.1568 0.1624 0.1596 0.1668 1.2578 2.4077 2.1196 2.1002 2.9481 2.9377 3.8975 3.8949 3.8320 3.8601 3.8733 3.8815 3.8885 3.9451 4.2673 3.8694 3.8141 3.5466 3.8571 3.9859 4.0401 3.8707 3.9317 3.8424 4.2127 1.0150 1.0127 1.0117 1.0114 1.0094 1.0171 1.0084 1.0078 1.0105 1.0185 1.0063 1.0083 1.0094 1.0220 1.0010 1.0007 1.0042 1.0080 1.0174 1.0055 0.9932 0.9920 0.9854 1.2578 2.4077 2.1196 2.1002 2.9481 2.9377 3.8975 3.8949 3.8320 3.8601 3.8733 3.8815 3.8885 3.9451 4.2673 3.8694 3.8141 3.5466 3.8571 3.9859 4.0401 3.8707 3.9317 3.8424 4.2127 1.0150 1.0127 1.0117 1.0114 1.0094 1.0171 1.0084 1.0078 1.0105 1.0185 1.0063 1.0083 1.0094 1.0220 1.0010 1.0007 1.0042 1.0080 1.0174 1.0055 0.9932 0.9920 0.9854 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.1420 0.9451 1.2518 1.0458 0.9081 1.9024 1.1698 1.5723 1.5944 0.9443 0.9105 1.0197 1.0105 0.9286 1.0100 1.0070 0.9168 1.0005 1.0058 0.9449 1.0000 1.0026 0.9336 0.9888 1.0144 0.9400 1.0019 1.0063 0.9788 0.9955 0.9956 0.9958 1.0005 1.2435 1.5332 0.9224 1.3007 1.3640 1.4240 0.9954 1.4711 0.9866 1.3240 0.9472 1.3749 0.9916 1.3982 0.9852 0.9814 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 -0.025676686 -1856.348891236705 85.87511 -83.13374 2.74137 20.01846 -20.89776 -0.87930 10.16523 -8.93595 1.22928 3.13040 7.95684