Orca 5.0.2 RELEASE 1 2 3 11s6p2d1f 11s6p2d1f 5s2p1d 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 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 H H H H H H H H H 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 242.20999999999987 AuxInfo=1/0/N:10,18,19,20,3,2,9,14,15,16,17,11,13,12;8,6,7,4,5,1/E:(2,3,4)(8,9)(10,11);(2,3)(4,5)/CRV:5.3,8.3,9.3,10.3,11.3,12.3,13.3;/rA:52nNCC3CCCCCCCC3CC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s1;s1;s4;s5;s6s7;s2;s3;s9;;s12;s11;s11;s13s14;s13s15;s12;s12;s12;s2;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s1;/rC:3.6339,4.1797,-.7642;-4.7174,-2.9964,-.2002;-5.2804,-1.7917,.2587;3.8639,3.9536,.6546;2.2475,4.5231,-1.0402;2.9219,2.9285,1.2793;1.235,3.5267,-.4821;1.4664,3.2957,1.0081;-3.8542,-2.0115,-1.1798;-4.7945,-1.0326,1.4041;-2.424,-1.895,-.77;1.777,-1.4916,.2825;.3072,-1.6613,-.0846;-1.8647,-.6531,-.4822;-1.6049,-3.0167,-.7116;-.5262,-.5423,-.1454;-.2635,-2.8992,-.3782;2.5227,-2.8236,.3305;1.8796,-.8331,1.6643;2.4519,-.5984,-.7658;-4.0488,-3.5217,.4724;-5.353,-3.6388,-.7969;-6.1476,-1.4067,-.2704;3.7506,4.912,1.1739;4.9037,3.6497,.795;2.1226,4.6261,-2.1206;2.052,5.5128,-.6123;3.1373,1.9407,.8571;3.1075,2.8551,2.3546;.2185,3.8871,-.664;1.331,2.5771,-1.0209;.7979,2.5158,1.3842;1.2143,4.2084,1.5596;-4.2832,-1.0068,-1.3185;-4.0158,-2.4811,-2.1511;-5.5424,-1.2387,2.1843;-4.8242,.0424,1.2377;-3.8289,-1.3632,1.7773;-2.4786,.2388,-.5284;-2.0103,-3.9977,-.9328;-.1297,.4427,.0705;.3348,-3.7996,-.3522;2.107,-3.5044,1.0759;2.5208,-3.3354,-.6338;3.566,-2.6496,.6;2.9263,-.7045,1.948;1.4118,.1523,1.6897;1.4024,-1.4463,2.4315;2.4044,-1.0482,-1.7597;1.9883,.3873,-.827;3.5055,-.4502,-.5194;3.8619,3.3284,-1.2667; 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 1332 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 1 Mult 1 NEL 152 Dim 1068 ENuc 1549.7296814301 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 4.866e-06 Time for diagonalization 0.469 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.446 sec Total time needed 0.925 sec 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 1 1 1 1 1 1 1 1 1 242.20999999999987 AuxInfo=1/0/N:10,18,19,20,3,2,9,14,15,16,17,11,13,12;8,6,7,4,5,1/E:(2,3,4)(8,9)(10,11);(2,3)(4,5)/CRV:5.3,8.3,9.3,10.3,11.3,12.3,13.3;/rA:52nNCC3CCCCCCCC3CC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s1;s1;s4;s5;s6s7;s2;s3;s9;;s12;s11;s11;s13s14;s13s15;s12;s12;s12;s2;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s1;/rC:3.6339,4.1797,-.7642;-4.7174,-2.9964,-.2002;-5.2804,-1.7917,.2587;3.8639,3.9536,.6546;2.2475,4.5231,-1.0402;2.9219,2.9285,1.2793;1.235,3.5267,-.4821;1.4664,3.2957,1.0081;-3.8542,-2.0115,-1.1798;-4.7945,-1.0326,1.4041;-2.424,-1.895,-.77;1.777,-1.4916,.2825;.3072,-1.6613,-.0846;-1.8647,-.6531,-.4822;-1.6049,-3.0167,-.7116;-.5262,-.5423,-.1454;-.2635,-2.8992,-.3782;2.5227,-2.8236,.3305;1.8796,-.8331,1.6643;2.4519,-.5984,-.7658;-4.0488,-3.5217,.4724;-5.353,-3.6388,-.7969;-6.1476,-1.4067,-.2704;3.7506,4.912,1.1739;4.9037,3.6497,.795;2.1226,4.6261,-2.1206;2.052,5.5128,-.6123;3.1373,1.9407,.8571;3.1075,2.8551,2.3546;.2185,3.8871,-.664;1.331,2.5771,-1.0209;.7979,2.5158,1.3842;1.2143,4.2084,1.5596;-4.2832,-1.0068,-1.3185;-4.0158,-2.4811,-2.1511;-5.5424,-1.2387,2.1843;-4.8242,.0424,1.2377;-3.8289,-1.3632,1.7773;-2.4786,.2388,-.5284;-2.0103,-3.9977,-.9328;-.1297,.4427,.0705;.3348,-3.7996,-.3522;2.107,-3.5044,1.0759;2.5208,-3.3354,-.6338;3.566,-2.6496,.6;2.9263,-.7045,1.948;1.4118,.1523,1.6897;1.4024,-1.4463,2.4315;2.4044,-1.0482,-1.7597;1.9883,.3873,-.827;3.5055,-.4502,-.5194;3.8619,3.3284,-1.2667; 1 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" 242.20999999999987 AuxInfo=1/0/N:10,18,19,20,3,2,9,14,15,16,17,11,13,12;8,6,7,4,5,1/E:(2,3,4)(8,9)(10,11);(2,3)(4,5)/CRV:5.3,8.3,9.3,10.3,11.3,12.3,13.3;/rA:52nNCC3CCCCCCCC3CC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s1;s1;s4;s5;s6s7;s2;s3;s9;;s12;s11;s11;s13s14;s13s15;s12;s12;s12;s2;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s10;s14;s15;s16;s17;s18;s18;s18;s19;s19;s19;s20;s20;s20;s1;/rC:3.6339,4.1797,-.7642;-4.7174,-2.9964,-.2002;-5.2804,-1.7917,.2587;3.8639,3.9536,.6546;2.2475,4.5231,-1.0402;2.9219,2.9285,1.2793;1.235,3.5267,-.4821;1.4664,3.2957,1.0081;-3.8542,-2.0115,-1.1798;-4.7945,-1.0326,1.4041;-2.424,-1.895,-.77;1.777,-1.4916,.2825;.3072,-1.6613,-.0846;-1.8647,-.6531,-.4822;-1.6049,-3.0167,-.7116;-.5262,-.5423,-.1454;-.2635,-2.8992,-.3782;2.5227,-2.8236,.3305;1.8796,-.8331,1.6643;2.4519,-.5984,-.7658;-4.0488,-3.5217,.4724;-5.353,-3.6388,-.7969;-6.1476,-1.4067,-.2704;3.7506,4.912,1.1739;4.9037,3.6497,.795;2.1226,4.6261,-2.1206;2.052,5.5128,-.6123;3.1373,1.9407,.8571;3.1075,2.8551,2.3546;.2185,3.8871,-.664;1.331,2.5771,-1.0209;.7979,2.5158,1.3842;1.2143,4.2084,1.5596;-4.2832,-1.0068,-1.3185;-4.0158,-2.4811,-2.1511;-5.5424,-1.2387,2.1843;-4.8242,.0424,1.2377;-3.8289,-1.3632,1.7773;-2.4786,.2388,-.5284;-2.0103,-3.9977,-.9328;-.1297,.4427,.0705;.3348,-3.7996,-.3522;2.107,-3.5044,1.0759;2.5208,-3.3354,-.6338;3.566,-2.6496,.6;2.9263,-.7045,1.948;1.4118,.1523,1.6897;1.4024,-1.4463,2.4315;2.4044,-1.0482,-1.7597;1.9883,.3873,-.827;3.5055,-.4502,-.5194;3.8619,3.3284,-1.2667; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM N C H 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 3058 GEPOL Volume 2247.1552 GEPOL Surface-area 1362.2603 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 0.9s -797.91573223 1549.72968143 -2347.64541366 -4136.34649691 1788.70108325 -0.10057895 -1591.71262491 793.79689268 2.00518878 75.999992079368 75.999992079368 151.999984158736 -82.792270017872 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -391.8629 -283.3206 -281.6529 -281.2877 -280.5499 -280.5161 -280.2531 -280.2469 -280.1247 -280.1074 -279.9478 -279.9457 -279.9444 -279.9322 -279.3403 -279.2752 -279.2749 -279.2722 -279.2436 -279.2330 -27.9789 -27.9623 -27.1314 -25.8382 -24.6224 -24.4405 -23.9104 -23.5881 -23.4864 -21.8656 -21.8395 -21.7560 -20.2039 -20.1856 -19.8352 -19.6590 -19.5783 -18.3439 -18.1392 -17.6194 -16.8919 -16.1575 -16.1340 -15.7931 -15.5745 -15.3413 -15.0937 -14.9605 -14.8827 -14.8309 -14.6369 -14.4789 -14.3735 -14.2199 -13.9690 -13.8370 -13.6084 -13.5357 -13.3279 -13.0133 -12.8789 -12.8230 -12.6998 -12.5978 -12.5093 -12.3091 -11.8667 -11.8433 -11.6487 -11.4520 -11.3029 -11.0001 -10.9251 -9.7100 -9.2677 -8.5354 -0.6646 1.1377 1.4535 2.7483 2.9994 3.3226 3.4682 3.5445 3.6659 3.7216 3.8800 3.9621 4.0992 4.3973 4.4373 4.5588 4.6431 4.7242 4.8840 4.9037 5.0402 5.0946 5.1306 5.2389 5.2559 5.6082 5.6534 5.7557 5.8314 5.9403 6.0322 6.0857 6.2743 6.3635 6.4978 6.5699 6.6148 6.6836 6.9007 6.9807 7.0738 7.2502 7.3035 7.4185 7.6174 7.7129 7.7677 7.8767 7.9465 8.2054 8.3353 8.3541 8.4755 8.6203 8.7486 8.7988 8.9392 8.9717 9.0881 9.1721 9.3760 9.5706 9.5916 9.7365 9.8588 10.0952 10.1201 10.3010 10.3302 10.5063 10.6697 10.8119 10.9187 10.9902 11.3155 11.4066 11.4843 11.5855 11.6351 11.6914 11.8312 11.9627 12.1281 12.1894 12.3092 12.5804 12.6415 12.6730 12.7253 12.8275 12.9745 13.0037 13.1938 13.2899 13.3497 13.5725 13.5987 13.6294 13.6587 13.7027 13.7786 13.8994 14.0326 14.0605 14.1197 14.1715 14.2334 14.3040 14.4015 14.4640 14.5686 14.6831 14.7353 14.8065 14.8614 15.0838 15.1219 15.2556 15.3184 15.3868 15.4533 15.5032 15.5752 15.7032 15.7836 15.9168 16.1289 16.1825 16.4178 16.5392 16.6350 16.6902 16.8123 17.0446 17.0831 17.2020 17.3844 17.6843 17.9261 18.0604 18.2972 18.3555 18.4256 18.6768 18.8909 19.0428 19.3372 19.4626 19.5667 19.6749 19.9608 19.9845 20.2045 20.3618 20.6327 20.7404 20.7864 20.9400 21.1444 21.2625 21.7332 21.8145 21.8986 21.9808 22.2134 22.2481 22.5677 22.6998 22.7644 23.0157 23.1176 23.3150 23.4459 23.6117 23.7950 23.9578 24.1339 24.2184 24.2944 24.4462 24.4815 24.7484 24.8443 24.9237 25.0658 25.2279 25.2930 25.4167 25.5535 25.8477 25.9245 26.1198 26.4358 26.5031 26.8524 26.9806 27.0268 27.1882 27.3395 27.4449 27.5041 27.5876 27.8016 27.9370 28.0318 28.2328 28.3040 28.5363 28.6953 28.8413 28.9250 29.0606 29.1890 29.2522 29.4934 29.7550 29.9248 30.1071 30.1762 30.2413 30.2845 30.5395 30.5870 30.6960 30.9769 31.0825 31.1620 31.2119 31.3256 31.4203 31.5299 31.5338 31.6491 31.8506 32.1007 32.2497 32.3404 32.3810 32.6820 32.7449 32.9421 33.0255 33.3502 33.4627 33.6669 33.8351 33.9490 33.9736 34.0923 34.2224 34.3945 34.4323 34.5857 34.6379 34.7572 34.8855 35.2652 35.3375 35.5464 35.6219 35.6987 35.7923 35.9044 36.1022 36.1973 36.2820 36.3946 36.5376 36.7578 36.7934 36.9358 37.0178 37.2177 37.5679 37.6716 37.8940 37.9509 38.2194 38.3810 38.4055 38.5002 38.6128 38.7469 38.8139 39.1631 39.2904 39.3929 39.4868 39.6797 39.7548 39.8592 40.0332 40.0798 40.3326 40.4013 40.6005 40.7374 40.8807 40.9571 41.1167 41.2420 41.3575 41.3885 41.5333 41.7610 41.8758 42.0231 42.2159 42.2933 42.5727 42.6469 42.7734 42.9011 42.9736 43.0690 43.1509 43.3568 43.4329 43.6136 43.7357 43.7782 43.9620 44.0128 44.1075 44.2113 44.4078 44.5825 44.6520 44.8620 44.8785 45.0647 45.1126 45.2442 45.3807 45.4875 45.5769 45.7017 45.8646 46.1507 46.2999 46.3894 46.5958 46.8177 46.9375 47.1210 47.3076 47.3834 47.4218 47.8970 48.0857 48.1510 48.3578 48.4239 48.7284 48.9087 49.0460 49.3521 49.4170 49.6115 49.8216 49.9193 50.0814 50.3343 50.5033 50.8708 51.0321 51.2174 51.6187 51.6999 52.1651 52.6119 52.8743 52.9843 53.2432 53.3510 54.0471 54.1480 54.4079 54.7277 55.0301 55.3582 55.7947 55.9948 56.1174 56.4875 57.0583 57.4715 57.8714 58.0872 58.3290 58.5852 58.6426 58.9563 59.1245 59.2146 59.4704 59.7013 59.8146 60.2877 60.4969 60.7966 60.8794 61.0363 61.2823 61.7414 61.9933 62.4923 62.8053 62.8776 63.3115 63.5308 63.8849 64.0194 64.2959 64.6656 65.0165 65.0371 65.7716 65.9445 66.5896 66.9106 67.1606 67.4968 67.5614 67.7416 68.5577 68.5895 69.2269 69.4269 69.5846 69.8985 70.1365 70.4409 70.5716 71.0174 71.1612 71.3439 71.3982 71.5459 71.8402 72.0243 72.1271 72.2939 72.6963 72.7772 73.0665 73.1818 73.2943 73.5441 73.5946 73.7668 74.0796 74.1733 74.4301 74.6902 74.7816 74.9992 75.2252 75.4193 75.5422 75.8420 76.0706 76.2801 76.3801 76.6131 76.8407 77.0668 77.2452 77.3422 77.4769 77.5508 77.7515 77.8238 78.0866 78.2148 78.6079 78.7796 78.8468 78.9688 79.0405 79.3002 79.3710 79.4329 79.5134 79.6122 79.7054 79.9348 80.2498 80.3497 80.4242 80.6002 80.7944 81.0336 81.2153 81.4234 81.5644 81.6398 81.9159 81.9791 82.0006 82.3025 82.3652 82.5483 82.5642 82.6211 82.7389 82.9123 83.0484 83.2438 83.4485 83.7995 83.8927 84.0300 84.2015 84.3949 84.5744 84.6369 84.7583 84.9277 85.0328 85.2313 85.3823 85.4562 85.7247 85.8807 85.9578 86.0652 86.1637 86.3448 86.3668 86.6071 86.7262 86.7538 86.8902 87.1034 87.1785 87.2502 87.3670 87.4460 87.5688 87.9162 88.0684 88.1686 88.2757 88.3096 88.4330 88.6837 88.7757 88.8969 88.9507 89.0668 89.1839 89.3829 89.4542 89.5853 89.7934 89.8484 90.0247 90.2299 90.2515 90.4321 90.5645 90.6563 90.7628 90.9560 91.1988 91.2654 91.5387 91.6000 91.6484 91.8433 91.9818 92.0014 92.1310 92.2501 92.2971 92.5757 92.8616 93.0075 93.1941 93.3927 93.4151 93.6425 93.6606 93.8422 93.9396 94.0528 94.1342 94.3267 94.5682 94.7520 94.9288 95.0266 95.1347 95.2621 95.3127 95.3753 95.6152 95.6787 95.8246 95.9375 96.3222 96.4201 96.5289 96.6232 96.8022 96.8963 97.2202 97.5133 97.7024 97.8183 97.8940 98.0893 98.2379 98.4169 98.5024 98.6725 98.8420 99.1166 99.3105 99.5200 99.8228 99.8709 99.9213 100.0071 100.1282 100.2866 100.3909 100.4700 100.5336 100.6769 100.8540 101.0060 101.2020 101.3113 101.6691 101.9672 102.0451 102.0811 102.1229 102.4181 102.4957 102.7956 103.1139 103.1849 103.2369 103.3533 103.3980 103.4888 103.7869 104.1119 104.2100 104.4619 104.4720 104.5716 104.8146 104.9037 104.9765 105.2244 105.3535 105.4035 105.5492 105.7330 105.8390 105.9691 106.1220 106.3013 106.3724 106.4236 106.5171 106.6772 106.7822 107.2151 107.2938 107.5252 107.6355 107.7566 107.8998 108.0571 108.1431 108.2394 108.4933 108.5817 109.0120 109.0807 109.3763 109.4518 109.5640 109.6970 109.8317 109.9227 110.1044 110.1613 110.3466 110.4266 110.6608 110.7842 110.8097 110.9067 111.0565 111.3107 111.3629 111.5971 111.6506 111.7714 111.8976 112.2084 112.2873 112.4815 112.6070 112.7623 112.9551 113.1218 113.4089 113.6564 113.8041 113.8678 114.0101 114.2443 114.3359 114.5317 114.6113 114.7651 114.8343 114.8971 115.1228 115.3658 115.4557 115.4869 115.6172 115.7306 115.8258 115.8965 116.0421 116.1114 116.3119 116.3877 116.7330 116.8295 116.8712 116.9561 117.1459 117.2050 117.3230 117.3723 117.5695 117.6026 117.8329 117.9886 118.1196 118.2307 118.3837 118.4791 118.5903 118.6767 118.7716 118.8641 119.0840 119.1714 119.4594 119.5420 119.7228 119.8979 120.1057 120.1762 120.3489 120.4850 120.6001 120.7296 120.9464 121.0199 121.1773 121.3943 121.4007 121.5801 121.6912 121.9601 122.1234 122.2440 122.4533 122.6323 122.8531 122.9658 123.0813 123.3107 123.4304 123.4842 123.7625 123.7910 124.0798 124.4542 124.7122 124.9177 125.0238 125.0985 125.2461 125.4491 125.9978 126.0206 126.5338 126.8055 127.3340 127.4165 127.8076 127.8785 128.0154 128.0946 128.2905 128.4563 128.6910 128.9122 129.0069 129.2703 129.4181 129.6106 129.6973 129.7944 130.0426 130.0866 130.3045 130.5890 130.8180 131.0426 131.1261 131.4313 131.6024 131.6225 131.8908 132.0292 132.1711 132.5510 132.9146 132.9468 133.0022 133.0594 133.2946 133.3548 133.3660 133.6927 133.8213 134.1429 134.1775 134.3597 134.5839 134.6808 135.0706 135.3589 135.4205 135.6031 135.8693 136.1025 136.2998 136.5095 136.9332 137.1710 137.3344 137.8415 137.9277 138.1509 138.4765 138.5567 138.8287 138.9502 139.0293 139.2717 139.5087 139.7032 139.8076 140.3451 140.6436 141.2509 141.5361 141.6975 142.0069 142.2015 142.3319 142.3344 142.5215 142.5846 143.2228 143.6234 143.6971 144.1351 144.3578 144.5423 144.9247 145.0597 145.3320 145.6187 145.8119 145.9789 146.3141 146.5742 147.0752 147.4530 147.6572 147.8646 147.9470 148.1974 148.4466 148.6856 148.7515 148.9299 149.1560 149.2071 149.3989 149.6174 149.7355 149.9444 150.1434 150.3052 150.4542 150.6029 150.6627 151.1681 151.4682 151.7544 151.9150 152.1204 152.3749 152.5759 152.7117 152.8187 152.8896 153.2090 153.4135 153.5206 153.9352 154.2333 154.2474 154.3131 154.9679 155.1697 155.2297 155.4225 155.7660 155.8717 156.3927 156.6340 156.7135 156.8359 157.0723 157.3981 157.5533 157.6075 158.1652 158.4677 158.6465 158.7064 159.0173 159.2943 159.5500 159.7686 159.9554 160.2075 160.2493 160.6536 160.8167 161.4784 162.0220 162.2539 163.2463 164.2284 164.4680 164.6882 165.4350 165.6663 168.6019 171.8356 173.2482 181.1687 183.0100 620.6039 627.7489 630.8046 632.7482 636.0485 636.8280 638.4396 640.1874 640.4275 641.1197 641.2577 641.6941 642.9950 643.8185 646.5943 648.6936 648.8375 652.4608 658.5893 895.9981 1.0000000 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 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 H H H H H H H H H -0.304767 -0.044392 0.152017 -0.076845 -0.067303 -0.127434 -0.145006 -0.151839 0.002504 -0.200040 -0.053091 0.392955 -0.109802 -0.203819 -0.189224 -0.132862 -0.138842 -0.360929 -0.367500 -0.341523 0.125387 0.125617 0.194418 0.081892 0.087097 0.086486 0.078947 0.047825 0.077705 0.074384 0.066645 0.081739 0.086482 0.141467 0.147805 0.151499 0.127044 0.117410 0.144803 0.149266 0.123178 0.148494 0.102940 0.101771 0.101707 0.103219 0.089609 0.109883 0.110528 0.066138 0.102330 0.114027 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 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 H H H H H H H H H 7.3048 6.0444 5.8480 6.0768 6.0673 6.1274 6.1450 6.1518 5.9975 6.2000 6.0531 5.6070 6.1098 6.2038 6.1892 6.1329 6.1388 6.3609 6.3675 6.3415 0.8746 0.8744 0.8056 0.9181 0.9129 0.9135 0.9211 0.9522 0.9223 0.9256 0.9334 0.9183 0.9135 0.8585 0.8522 0.8485 0.8730 0.8826 0.8552 0.8507 0.8768 0.8515 0.8971 0.8982 0.8983 0.8968 0.9104 0.8901 0.8895 0.9339 0.8977 0.8860 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.3048 -0.0444 0.1520 -0.0768 -0.0673 -0.1274 -0.1450 -0.1518 0.0025 -0.2000 -0.0531 0.3930 -0.1098 -0.2038 -0.1892 -0.1329 -0.1388 -0.3609 -0.3675 -0.3415 0.1254 0.1256 0.1944 0.0819 0.0871 0.0865 0.0789 0.0478 0.0777 0.0744 0.0666 0.0817 0.0865 0.1415 0.1478 0.1515 0.1270 0.1174 0.1448 0.1493 0.1232 0.1485 0.1029 0.1018 0.1017 0.1032 0.0896 0.1099 0.1105 0.0661 0.1023 0.1140 2.9476 3.9225 3.6049 3.9767 3.9686 3.8090 3.8183 3.8507 3.8731 3.9663 3.6480 3.5369 3.7740 3.9955 3.9990 3.9667 3.8877 3.9319 3.9384 3.9440 1.0133 1.0151 0.9776 1.0018 1.0046 1.0045 1.0015 1.0219 1.0178 1.0189 1.0067 1.0081 1.0115 1.0048 0.9979 0.9959 1.0043 1.0035 0.9990 0.9990 1.0074 0.9973 1.0003 1.0001 1.0063 1.0006 1.0023 1.0085 1.0105 1.0072 1.0010 1.0309 2.9476 3.9225 3.6049 3.9767 3.9686 3.8090 3.8183 3.8507 3.8731 3.9663 3.6480 3.5369 3.7740 3.9955 3.9990 3.9667 3.8877 3.9319 3.9384 3.9440 1.0133 1.0151 0.9776 1.0018 1.0046 1.0045 1.0015 1.0219 1.0178 1.0189 1.0067 1.0081 1.0115 1.0048 0.9979 0.9959 1.0043 1.0035 0.9990 0.9990 1.0074 0.9973 1.0003 1.0001 1.0063 1.0006 1.0023 1.0085 1.0105 1.0072 1.0010 1.0309 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.9836 0.9847 0.9976 1.1406 0.7135 1.0024 0.9854 0.3192 1.0425 0.9541 0.9305 1.0104 1.0019 0.9328 1.0005 1.0065 0.9173 1.0088 0.9988 0.9133 1.0011 1.0083 1.0109 1.0036 0.9414 0.9371 0.9394 0.9092 0.9651 0.9849 1.3119 1.3585 0.9359 0.9068 0.8811 0.8896 1.3508 1.3304 1.5279 0.9948 1.4931 0.9889 0.9776 0.9683 0.9982 0.9955 0.9948 0.9956 0.9926 0.9937 0.9946 0.9932 0.9977 0 3 0 4 0 51 1 2 1 8 1 20 1 21 2 8 2 9 2 22 3 5 3 23 3 24 4 6 4 25 4 26 5 7 5 27 5 28 6 7 6 29 6 30 7 31 7 32 8 10 8 33 8 34 9 35 9 36 9 37 10 13 10 14 11 12 11 17 11 18 11 19 12 15 12 16 13 15 13 38 14 16 14 39 15 40 16 41 17 42 17 43 17 44 18 45 18 46 18 47 19 48 19 49 19 50 -0.024097840 -797.939830069769 5.53955 -14.28293 -8.74338 6.23233 -10.16913 -3.93680 5.15583 -4.97138 0.18446 9.59058 24.37731