Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 48 49 50 51 52 53 54 55 O O N 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 H H H H H H H H H H H H 1 1 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 262.19809999999984 AuxInfo=1/0/N:21,20,13,14,15,19,18,6,7,9,10,17,16,12,4,11,8,5,3,2,1/E:(3,4,5)(8,9)(10,11)/rA:56nOONCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s2;s4;s4;s4;s5s6;s5s7;s1;s2s11;s8;s8;s8;s3s11;s3;s3;s17;s18;s19;s4;s6;s6;s7;s7;s9;s9;s10;s10;s11;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;s20;s21;s21;s21;/rC:-.4838,1.0085,-.727;-.3074,3.0133,.2999;-2.8547,-.2831,.2844;2.6948,-.045,.4013;.3784,1.8004,.0712;2.4227,.7003,-.9105;1.3918,-.206,1.1915;3.4635,-1.3804,.2075;1.6792,2.0152,-.6885;.6644,1.1179,1.3998;-1.7391,1.6454,-.8521;-1.3674,3.1041,-.631;2.6289,-2.4276,-.5353;4.7528,-1.1298,-.5811;3.8614,-1.9506,1.5725;-2.7547,1.1568,.1762;-3.3785,-.9162,-.9213;-3.5685,-.6749,1.491;-2.3241,-1.5113,-1.8533;-3.2917,-2.1057,1.9167;-1.4626,-2.5834,-1.2045;3.3538,.6016,.9998;3.3603,.9243,-1.4218;1.8472,.069,-1.5939;.7199,-.8982,.6764;1.5908,-.6483,2.1693;1.4771,2.5033,-1.6466;2.3082,2.6984,-.1092;1.2778,1.7868,2.0119;-.2685,.954,1.9459;-2.1067,1.4755,-1.8672;-2.1717,3.7024,-.1986;-1.0483,3.5825,-1.5645;3.2199,-3.3302,-.7098;1.7462,-2.7306,.0306;2.2914,-2.0734,-1.5111;5.3507,-.3337,-.1294;4.5621,-.8527,-1.6188;5.3718,-2.0299,-.6013;4.48,-2.8427,1.4504;4.4407,-1.2284,2.1539;2.9987,-2.2425,2.173;-3.7216,1.6273,-.0786;-2.4743,1.5517,1.157;-4.0567,-1.7238,-.6324;-4.0011,-.2079,-1.4881;-3.2451,-.0156,2.2998;-4.6566,-.5236,1.3951;-1.6833,-.7291,-2.2633;-2.8533,-1.9399,-2.7098;-3.622,-2.8372,1.1779;-2.2267,-2.2622,2.0937;-3.8217,-2.3265,2.845;-.7306,-2.9804,-1.9098;-2.0657,-3.4234,-.8529;-.9137,-2.1906,-.3486; 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 1414 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 166 Dim 1141 ENuc 1979.4044483647 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 2.327e-05 Time for diagonalization 0.457 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.217 sec Total time needed 0.680 sec 8 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 262.19809999999984 AuxInfo=1/0/N:21,20,13,14,15,19,18,6,7,9,10,17,16,12,4,11,8,5,3,2,1/E:(3,4,5)(8,9)(10,11)/rA:56nOONCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s2;s4;s4;s4;s5s6;s5s7;s1;s2s11;s8;s8;s8;s3s11;s3;s3;s17;s18;s19;s4;s6;s6;s7;s7;s9;s9;s10;s10;s11;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;s20;s21;s21;s21;/rC:-.4838,1.0085,-.727;-.3074,3.0133,.2999;-2.8547,-.2831,.2844;2.6948,-.045,.4013;.3784,1.8004,.0712;2.4227,.7003,-.9105;1.3918,-.206,1.1915;3.4635,-1.3804,.2075;1.6792,2.0152,-.6885;.6644,1.1179,1.3998;-1.7391,1.6454,-.8521;-1.3674,3.1041,-.631;2.6289,-2.4276,-.5353;4.7528,-1.1298,-.5811;3.8614,-1.9506,1.5725;-2.7547,1.1568,.1762;-3.3785,-.9162,-.9213;-3.5685,-.6749,1.491;-2.3241,-1.5113,-1.8533;-3.2917,-2.1057,1.9167;-1.4626,-2.5834,-1.2045;3.3538,.6016,.9998;3.3603,.9243,-1.4218;1.8472,.069,-1.5939;.7199,-.8982,.6764;1.5908,-.6483,2.1693;1.4771,2.5033,-1.6466;2.3082,2.6984,-.1092;1.2778,1.7868,2.0119;-.2685,.954,1.9459;-2.1067,1.4755,-1.8672;-2.1717,3.7024,-.1986;-1.0483,3.5825,-1.5645;3.2199,-3.3302,-.7098;1.7462,-2.7306,.0306;2.2914,-2.0734,-1.5111;5.3507,-.3337,-.1294;4.5621,-.8527,-1.6188;5.3718,-2.0299,-.6013;4.48,-2.8427,1.4504;4.4407,-1.2284,2.1539;2.9987,-2.2425,2.173;-3.7216,1.6273,-.0786;-2.4743,1.5517,1.157;-4.0567,-1.7238,-.6324;-4.0011,-.2079,-1.4881;-3.2451,-.0156,2.2998;-4.6566,-.5236,1.3951;-1.6833,-.7291,-2.2633;-2.8533,-1.9399,-2.7098;-3.622,-2.8372,1.1779;-2.2267,-2.2622,2.0937;-3.8217,-2.3265,2.845;-.7306,-2.9804,-1.9098;-2.0657,-3.4234,-.8529;-.9137,-2.1906,-.3486; 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" 262.19809999999984 AuxInfo=1/0/N:21,20,13,14,15,19,18,6,7,9,10,17,16,12,4,11,8,5,3,2,1/E:(3,4,5)(8,9)(10,11)/rA:56nOONCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s2;s4;s4;s4;s5s6;s5s7;s1;s2s11;s8;s8;s8;s3s11;s3;s3;s17;s18;s19;s4;s6;s6;s7;s7;s9;s9;s10;s10;s11;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;s20;s21;s21;s21;/rC:-.4838,1.0085,-.727;-.3074,3.0133,.2999;-2.8547,-.2831,.2844;2.6948,-.045,.4013;.3784,1.8004,.0712;2.4227,.7003,-.9105;1.3918,-.206,1.1915;3.4635,-1.3804,.2075;1.6792,2.0152,-.6885;.6644,1.1179,1.3998;-1.7391,1.6454,-.8521;-1.3674,3.1041,-.631;2.6289,-2.4276,-.5353;4.7528,-1.1298,-.5811;3.8614,-1.9506,1.5725;-2.7547,1.1568,.1762;-3.3785,-.9162,-.9213;-3.5685,-.6749,1.491;-2.3241,-1.5113,-1.8533;-3.2917,-2.1057,1.9167;-1.4626,-2.5834,-1.2045;3.3538,.6016,.9998;3.3603,.9243,-1.4218;1.8472,.069,-1.5939;.7199,-.8982,.6764;1.5908,-.6483,2.1693;1.4771,2.5033,-1.6466;2.3082,2.6984,-.1092;1.2778,1.7868,2.0119;-.2685,.954,1.9459;-2.1067,1.4755,-1.8672;-2.1717,3.7024,-.1986;-1.0483,3.5825,-1.5645;3.2199,-3.3302,-.7098;1.7462,-2.7306,.0306;2.2914,-2.0734,-1.5111;5.3507,-.3337,-.1294;4.5621,-.8527,-1.6188;5.3718,-2.0299,-.6013;4.48,-2.8427,1.4504;4.4407,-1.2284,2.1539;2.9987,-2.2425,2.173;-3.7216,1.6273,-.0786;-2.4743,1.5517,1.157;-4.0567,-1.7238,-.6324;-4.0011,-.2079,-1.4881;-3.2451,-.0156,2.2998;-4.6566,-.5236,1.3951;-1.6833,-.7291,-2.2633;-2.8533,-1.9399,-2.7098;-3.622,-2.8372,1.1779;-2.2267,-2.2622,2.0937;-3.8217,-2.3265,2.845;-.7306,-2.9804,-1.9098;-2.0657,-3.4234,-.8529;-.9137,-2.1906,-.3486; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 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 3272 GEPOL Volume 2273.6081 GEPOL Surface-area 1318.5331 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.1s -912.31114425 1979.40444836 -2891.71559262 -5172.99455106 2281.27895844 -0.01703683 -1820.10725694 907.79611268 2.00497362 82.999855790580 82.999855790580 165.999711581161 -92.071224727858 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 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -523.5603 -523.4117 -391.9488 -282.1776 -280.8820 -280.7630 -279.9171 -279.9155 -279.8289 -279.6506 -279.3066 -279.1664 -279.1649 -279.1089 -279.1065 -279.0860 -278.9754 -278.8878 -278.8710 -278.8684 -278.8613 -33.0213 -30.3024 -28.1939 -26.1043 -25.1840 -24.1700 -23.9835 -23.3234 -23.1815 -22.1791 -21.4924 -21.4698 -21.4348 -20.8084 -19.5844 -19.4883 -19.3278 -19.2253 -18.1977 -17.7075 -17.0934 -16.8100 -16.3393 -15.6978 -15.5898 -15.5144 -15.1095 -14.9041 -14.8296 -14.5813 -14.4249 -14.3364 -14.2758 -13.9769 -13.8695 -13.6595 -13.3963 -13.2438 -12.9069 -12.8684 -12.6963 -12.4470 -12.3213 -12.2857 -12.2762 -12.1845 -12.1202 -11.9935 -11.8687 -11.6702 -11.6230 -11.5454 -11.4588 -11.1927 -11.1499 -10.9308 -10.5557 -10.4106 -10.2952 -9.8697 -9.1867 -8.1548 3.0230 3.3740 3.4666 3.5483 3.9165 3.9906 4.1934 4.2847 4.4067 4.4751 4.6383 4.7162 4.7943 4.9037 4.9989 5.0680 5.1697 5.3868 5.3959 5.5251 5.6771 5.6976 5.9247 5.9503 6.1087 6.1615 6.2476 6.3645 6.4319 6.5105 6.5921 6.7484 6.7787 6.8788 6.9512 7.0604 7.0895 7.1967 7.3490 7.4272 7.5625 7.6294 7.6877 7.8190 7.9434 8.1272 8.2442 8.3528 8.4422 8.5042 8.6344 8.7647 8.8614 8.9395 9.1143 9.2141 9.3936 9.4825 9.5358 9.6403 9.8381 10.0009 10.0863 10.3051 10.3871 10.5614 10.7170 10.7850 10.9243 11.0389 11.2440 11.4418 11.5977 11.6714 12.0090 12.0295 12.0569 12.2349 12.3070 12.3779 12.5202 12.6353 12.6849 12.9145 13.0843 13.1110 13.1759 13.2439 13.2735 13.3884 13.4068 13.6638 13.7040 13.7561 13.8302 13.9328 14.0791 14.1664 14.2400 14.2804 14.3169 14.3792 14.4723 14.5713 14.6952 14.7701 14.8592 14.8772 14.9433 15.0529 15.1073 15.1367 15.2024 15.2695 15.3209 15.4284 15.5812 15.6687 15.7380 15.7645 15.8400 15.9014 15.9584 16.0330 16.1930 16.2670 16.4511 16.5233 16.6337 16.8250 16.9559 17.0702 17.1475 17.2788 17.3662 17.4414 17.5728 17.6908 17.7150 18.0098 18.2415 18.3577 18.5538 18.6777 18.8745 18.9729 19.2084 19.3231 19.7887 19.9325 19.9975 20.1008 20.2230 20.3625 20.6242 20.7653 20.8833 21.1509 21.3663 21.5644 21.6031 21.7644 21.9615 22.1033 22.4207 22.6027 22.7068 22.8649 23.2149 23.2965 23.5663 23.6708 23.7895 24.0178 24.1362 24.1973 24.3256 24.4190 24.4452 24.8249 24.8274 24.8913 25.0381 25.1796 25.3861 25.6226 25.7703 25.9052 26.1468 26.3326 26.4888 26.6389 26.7799 26.8742 27.0821 27.2158 27.2973 27.5672 27.6446 27.8264 27.9092 28.1227 28.2829 28.3991 28.4824 28.5854 28.7508 28.9929 29.0528 29.0937 29.1768 29.2458 29.4305 29.6692 29.7675 29.8795 29.9478 30.0637 30.2624 30.2668 30.5048 30.6582 30.8398 30.9079 31.0758 31.1209 31.2324 31.3596 31.4255 31.5289 31.7754 31.8574 32.0362 32.0821 32.3406 32.3984 32.6125 32.7216 32.8224 33.0257 33.1503 33.2070 33.3955 33.4936 33.6934 33.7529 33.9227 34.0650 34.1636 34.4011 34.5024 34.7047 34.7832 34.8105 34.8856 34.9353 35.1297 35.2411 35.3739 35.4452 35.6714 35.9254 35.9996 36.1252 36.4060 36.5135 36.5899 36.6639 36.8088 36.9809 37.0137 37.2642 37.3311 37.3904 37.5495 37.7468 37.8861 38.0769 38.1644 38.2251 38.3496 38.4778 38.5352 38.6359 38.7928 39.0018 39.1363 39.2571 39.4471 39.6914 39.7793 39.9187 40.1519 40.2832 40.3813 40.5155 40.7059 40.8093 40.9675 41.2466 41.3219 41.3331 41.4879 41.5476 41.7392 41.7806 41.8129 41.8703 42.1938 42.2882 42.4298 42.4897 42.6401 42.7322 42.8307 42.9999 43.1545 43.2273 43.3470 43.4379 43.5617 43.6325 43.8567 43.9609 44.0169 44.0582 44.3081 44.4297 44.6023 44.6737 44.8990 44.9306 45.0192 45.1239 45.1999 45.3201 45.5456 45.6276 45.8845 45.9305 46.1418 46.1879 46.3168 46.4198 46.5611 46.7659 46.8834 46.9470 47.2255 47.3161 47.4217 47.7261 47.9109 47.9567 48.0999 48.3076 48.4495 48.6807 48.8989 49.0189 49.1011 49.2381 49.3620 49.5484 49.7876 49.9431 50.1838 50.2876 50.5816 50.7732 51.0121 51.1539 51.3682 51.4024 51.6786 52.0501 52.2839 52.3825 52.7421 52.9686 53.3276 53.7462 53.8189 54.1781 54.3393 54.7303 55.0703 55.1942 55.7627 55.8372 55.8901 56.3071 56.6484 56.9164 57.1789 57.3421 57.3912 58.0330 58.2396 58.5458 58.8509 59.0682 59.2532 59.3830 59.4660 59.6787 60.1959 60.2775 60.6256 60.9591 61.1109 61.2472 61.6221 61.7384 62.0631 62.1140 62.2385 62.6547 62.8953 63.1016 63.3855 63.6659 63.7474 63.9236 64.2377 64.4911 64.8803 65.3201 65.6135 65.8283 66.0636 66.1521 66.3695 66.8234 67.1902 67.4092 67.6982 68.2867 68.4434 68.6838 69.3254 69.4477 69.9698 70.2043 70.2986 70.5274 70.8851 71.0583 71.2282 71.4202 71.4999 71.6207 72.0233 72.1679 72.4821 72.5570 72.6909 73.0963 73.2726 73.3700 73.5724 73.7695 73.8730 74.1920 74.2279 74.5837 74.7669 74.8555 75.1094 75.3160 75.4773 75.7994 75.8248 76.0971 76.1236 76.4401 76.5776 76.7755 76.9151 77.0605 77.2119 77.4332 77.6664 77.7180 77.8850 77.9918 78.0965 78.3755 78.5443 78.6487 79.0259 79.2261 79.3562 79.5395 79.6228 79.7398 79.9828 80.0475 80.0658 80.1744 80.4587 80.6129 80.6895 81.1804 81.3406 81.4341 81.4730 81.6079 81.7243 81.7954 81.8864 81.9781 82.2977 82.3268 82.3783 82.4857 82.7551 82.8071 83.0796 83.1268 83.2290 83.3653 83.5111 83.7621 84.0011 84.2553 84.4585 84.5594 84.7290 84.8057 85.0000 85.1632 85.3099 85.4920 85.6607 85.8489 85.9509 86.0249 86.1257 86.1789 86.4037 86.5504 86.7018 86.7860 86.9587 87.1116 87.1309 87.4031 87.4990 87.6001 87.6941 87.8130 87.9260 88.0917 88.2009 88.3198 88.4921 88.5477 88.7002 88.7511 88.9030 89.1575 89.2553 89.2987 89.3649 89.5434 89.7077 89.7979 90.0362 90.1113 90.1781 90.2734 90.4691 90.5818 90.7128 90.7615 90.7865 91.0031 91.1733 91.2308 91.3589 91.4565 91.6370 91.8958 92.1325 92.1810 92.4022 92.5829 92.6392 92.8432 92.9630 93.2487 93.2860 93.4657 93.5498 93.5906 93.8297 93.9542 94.1034 94.3047 94.3811 94.4722 94.5426 94.7278 94.8389 94.9150 95.0971 95.2222 95.3435 95.6195 95.6313 95.7733 95.8953 96.0262 96.2771 96.3694 96.5297 96.6519 96.6966 96.9016 97.0561 97.3752 97.5033 97.5918 97.8241 97.8745 97.9905 98.1247 98.4606 98.5128 98.6060 98.7877 98.8601 99.0729 99.3404 99.3639 99.5461 99.6505 99.8363 100.0095 100.0901 100.1665 100.3394 100.3506 100.6465 100.7889 100.9976 101.2700 101.2881 101.4433 101.5825 101.7352 101.8249 101.9905 102.1177 102.3916 102.4436 102.5921 102.7168 102.8267 103.0407 103.1159 103.2437 103.3214 103.4592 103.5843 103.7067 104.0102 104.0520 104.1348 104.1727 104.3356 104.4846 104.7222 104.7623 105.1054 105.2225 105.3625 105.5134 105.5818 105.7538 105.9286 106.2894 106.3927 106.5686 106.6182 106.6716 106.9443 107.0038 107.0965 107.2037 107.4602 107.6919 107.7978 107.9569 108.2337 108.3716 108.4475 108.6196 108.6647 108.8594 108.9334 109.2761 109.3396 109.5213 109.6458 109.7680 109.9391 110.0837 110.4482 110.5155 110.7332 110.9209 111.0030 111.1593 111.2327 111.4001 111.5014 111.5731 111.6279 111.9010 111.9889 112.1639 112.2928 112.3860 112.6012 112.6995 112.9315 113.1111 113.2526 113.4017 113.5270 113.7610 113.9310 114.1542 114.1645 114.3304 114.3446 114.5601 114.6289 114.6873 114.8550 114.9901 115.0001 115.1926 115.3444 115.4278 115.5717 115.6843 115.7279 115.8091 115.9921 116.1958 116.3175 116.3707 116.4689 116.6642 116.7279 116.8721 116.9422 116.9962 117.0655 117.1661 117.3640 117.4786 117.5887 117.6396 117.8564 118.0481 118.1507 118.2877 118.4348 118.5004 118.6924 118.7645 118.8587 118.9615 119.0871 119.3257 119.4823 119.6223 119.6541 119.7550 119.9142 120.1656 120.4117 120.5449 120.6888 120.7630 120.8649 121.0198 121.1433 121.3428 121.4308 121.7292 121.7878 121.9832 121.9965 122.1139 122.2001 122.5197 122.6555 122.9382 123.1071 123.2636 123.3070 123.6517 123.8042 123.9217 124.2325 124.5600 124.6401 124.8101 124.9811 125.0816 125.3731 125.7077 125.9329 126.1692 126.3269 126.4509 126.5558 126.8674 127.1215 127.2679 127.4666 127.7526 127.8040 128.1953 128.2596 128.3754 128.7417 128.8144 129.1608 129.3184 129.4661 129.5611 129.8044 129.8165 130.0747 130.1843 130.2444 130.4282 130.5349 130.6036 130.8231 130.9632 131.0938 131.4221 131.5689 131.6062 131.8464 131.9723 132.1589 132.3102 132.4196 132.5634 132.6845 133.1040 133.2884 133.5258 133.5693 133.7477 133.8376 134.0527 134.2107 134.2244 134.4861 134.5110 134.7695 134.8313 135.0450 135.1781 135.4259 135.5095 135.7764 135.8661 136.0304 136.2345 136.3187 136.7441 136.8257 137.0779 137.3309 137.3501 137.5625 137.6498 137.8433 138.0494 138.1246 138.3760 138.6179 138.8602 139.3457 139.4088 139.6421 139.9147 140.2730 140.5482 140.7616 140.7694 141.1140 141.2196 141.3289 141.4979 141.8288 142.1954 142.6402 142.7835 143.0376 143.1594 143.3438 143.6388 143.9767 144.3794 144.4773 144.8185 144.8762 145.0101 145.1932 145.7401 146.0311 146.1949 146.3220 146.4437 146.6187 146.8631 147.0112 147.2346 147.3588 147.6655 147.8453 147.9585 148.0645 148.3087 148.3416 148.4972 149.0008 149.3347 149.4238 149.4423 149.6124 149.9657 150.0668 150.2597 150.4530 150.7160 150.8366 150.9893 151.2442 151.3970 151.6377 151.7142 151.7986 152.0010 152.2158 152.3602 152.6576 152.7665 152.9221 153.0382 153.1216 153.5237 153.6034 153.7799 154.1320 154.1858 154.2986 154.4478 154.4902 154.6196 154.8747 154.9378 155.0505 155.1728 155.3599 155.6695 155.8457 155.9243 156.2907 156.6109 156.6541 156.8904 157.1869 157.4995 157.8485 157.9486 158.1125 158.3868 158.4783 158.7234 158.9407 158.9888 159.1818 159.2941 159.4040 159.8681 159.9888 160.1899 160.2939 160.4263 160.6225 160.6925 161.2136 161.3296 161.6731 161.9120 162.1545 162.3927 162.7397 163.0854 163.7480 164.0389 164.6948 165.9432 166.6161 167.0721 167.7498 168.2376 168.9885 169.9481 170.8156 170.9253 172.3789 175.9988 177.2271 179.3054 187.5867 189.6285 190.9219 194.9818 196.0143 198.9650 202.0873 202.9189 207.3147 209.6893 626.6544 628.0178 635.7109 637.9643 638.8378 640.4774 641.4892 643.5086 643.8808 643.9664 643.9980 645.0453 645.9495 647.1909 647.4325 647.7669 649.0437 652.6438 901.9074 1214.1226 1220.1560 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 48 49 50 51 52 53 54 55 O O N 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 H H H H H H H H H H H H -0.403752 -0.402386 -0.206013 0.098089 0.554027 -0.227975 -0.206631 0.266946 -0.260747 -0.275727 0.230865 -0.005532 -0.389572 -0.356836 -0.361253 -0.234130 -0.119648 -0.056742 -0.087792 -0.267300 -0.280465 0.057497 0.086105 0.078135 0.043755 0.088237 0.079311 0.077523 0.090906 0.083810 0.097878 0.100130 0.086211 0.101163 0.091774 0.099941 0.098659 0.094313 0.094483 0.094566 0.096802 0.095255 0.090169 0.100331 0.096379 0.087269 0.078459 0.069849 0.061303 0.071064 0.081054 0.076055 0.096650 0.101250 0.090170 0.056117 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 O O N 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 H H H H H H H H H H H H 8.4038 8.4024 7.2060 5.9019 5.4460 6.2280 6.2066 5.7331 6.2607 6.2757 5.7691 6.0055 6.3896 6.3568 6.3613 6.2341 6.1196 6.0567 6.0878 6.2673 6.2805 0.9425 0.9139 0.9219 0.9562 0.9118 0.9207 0.9225 0.9091 0.9162 0.9021 0.8999 0.9138 0.8988 0.9082 0.9001 0.9013 0.9057 0.9055 0.9054 0.9032 0.9047 0.9098 0.8997 0.9036 0.9127 0.9215 0.9302 0.9387 0.9289 0.9189 0.9239 0.9033 0.8988 0.9098 0.9439 8.0000 8.0000 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 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.4038 -0.4024 -0.2060 0.0981 0.5540 -0.2280 -0.2066 0.2669 -0.2607 -0.2757 0.2309 -0.0055 -0.3896 -0.3568 -0.3613 -0.2341 -0.1196 -0.0567 -0.0878 -0.2673 -0.2805 0.0575 0.0861 0.0781 0.0438 0.0882 0.0793 0.0775 0.0909 0.0838 0.0979 0.1001 0.0862 0.1012 0.0918 0.0999 0.0987 0.0943 0.0945 0.0946 0.0968 0.0953 0.0902 0.1003 0.0964 0.0873 0.0785 0.0698 0.0613 0.0711 0.0811 0.0761 0.0967 0.1012 0.0902 0.0561 1.9897 1.9981 2.7721 3.6999 3.8255 3.9282 3.9885 3.6700 4.0522 4.0274 3.7621 4.0333 3.9566 3.9249 3.9222 3.9690 3.8920 3.8854 3.8339 3.9211 3.9310 1.0157 1.0119 1.0183 1.0185 1.0160 1.0183 1.0201 1.0179 1.0148 0.9900 0.9936 0.9956 1.0071 0.9939 0.9988 1.0023 0.9973 1.0077 1.0063 1.0032 1.0000 1.0160 0.9994 0.9969 1.0112 0.9953 1.0029 1.0118 1.0147 1.0014 1.0056 1.0113 1.0056 1.0032 0.9998 1.9897 1.9981 2.7721 3.6999 3.8255 3.9282 3.9885 3.6700 4.0522 4.0274 3.7621 4.0333 3.9566 3.9249 3.9222 3.9690 3.8920 3.8854 3.8339 3.9211 3.9310 1.0157 1.0119 1.0183 1.0185 1.0160 1.0183 1.0201 1.0179 1.0148 0.9900 0.9936 0.9956 1.0071 0.9939 0.9988 1.0023 0.9973 1.0077 1.0063 1.0032 1.0000 1.0160 0.9994 0.9969 1.0112 0.9953 1.0029 1.0118 1.0147 1.0014 1.0056 1.0113 1.0056 1.0032 0.9998 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.8901 0.9618 0.9836 0.9727 0.9456 0.8865 0.9431 0.8988 0.9247 0.9318 0.9978 0.9301 0.9173 0.9506 1.0069 1.0117 0.9457 1.0127 1.0089 0.9127 0.9150 0.9111 0.9962 1.0260 1.0178 1.0057 0.9445 0.8958 0.9712 0.9754 1.0063 0.9998 0.9967 0.9937 0.9934 0.9935 1.0014 1.0005 0.9917 0.9944 0.9938 1.0096 0.9359 1.0038 0.9890 0.9405 0.9938 0.9902 0.9225 1.0061 1.0044 0.9939 0.9946 0.9966 0.9942 1.0032 0.9903 0 4 0 10 1 4 1 11 2 15 2 16 2 17 3 5 3 6 3 7 3 21 4 8 4 9 5 8 5 22 5 23 6 9 6 24 6 25 7 12 7 13 7 14 8 26 8 27 9 28 9 29 10 11 10 15 10 30 11 31 11 32 12 33 12 34 12 35 13 36 13 37 13 38 14 39 14 40 14 41 15 42 15 43 16 18 16 44 16 45 17 19 17 46 17 47 18 20 18 48 18 49 19 50 19 51 19 52 20 53 20 54 20 55 -0.032305753 -912.343450007297 4.32260 -5.06563 -0.74302 -17.73492 17.93936 0.20444 1.07270 -1.30532 -0.23262 0.80498 2.04609