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 O O O O 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 1 1 1 1 2 3 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 4 306.2075999999998 AuxInfo=1/0/N:15,16,9,10,21,22,19,20,11,14,13,17,18,7,8,23,24,12,6,5,3,4,2,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)(16,17)(21,22)/CRV:9.3,11.3,12.3,13.3,16.3,17.3,18.3,21.1,22.1,23.1/rA:49nOO1O1O1NCCCCCC3C3C3CCCC3C3CCCCC3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s1s2s8;s11;s1s5;s13;s13;;s17;s17;s18;s19;s20s21;s3s5s17;s4s5s18;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s15;s15;s15;s16;s16;s16;s19;s19;s20;s20;s21;s21;s22;s22;/rC:1.183,-1.1363,-.3899;2.6334,-2.42,-1.4864;-.9716,-1.7091,2.0186;-1.6678,-.5337,-2.3104;-1.0767,-1.4208,-.2646;3.7635,.0474,.873;3.152,1.0241,-.0728;3.4182,-.4029,-.54;5.2414,.1742,1.1577;2.9822,-.4659,2.0577;1.8027,1.6081,.143;2.3952,-1.4161,-.8525;1.0154,2.1017,-.8148;.1337,-2.0692,-.6291;-.3046,2.7343,-.4939;1.3559,2.0378,-2.271;-2.6706,-.3242,.9868;-2.8799,.0114,-.2873;-3.4811,.1447,2.1369;-3.9504,.9192,-.7653;-4.7727,.7858,1.6256;-4.5236,1.694,.4224;-1.4941,-1.2257,1.0479;-1.8443,-.6426,-1.1244;3.8601,1.7164,-.5228;4.2783,-.5207,-1.1898;5.6731,-.7887,1.4383;5.7931,.5458,.2931;5.4147,.8678,1.9835;3.3217,-1.4662,2.334;3.1525,.1836,2.9189;1.9076,-.5153,1.9002;1.4602,1.6703,1.1722;.2732,-2.9644,-.0233;.0847,-2.3533,-1.6795;-1.116,2.2584,-1.0509;-.5441,2.6765,.5682;-.3161,3.7885,-.7848;1.2903,3.0256,-2.7347;2.3524,1.644,-2.4646;.6393,1.402,-2.7995;-3.6973,-.6836,2.816;-2.8946,.8642,2.7178;-3.5633,1.5989,-1.5281;-4.7311,.3286,-1.2561;-5.4776,-.0015,1.3426;-5.2435,1.3509,2.4313;-3.8241,2.4868,.7039;-5.451,2.1859,.1255; 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 1451 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 178 Dim 1094 ENuc 2219.7346385839 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 1.210e-05 Time for diagonalization 0.472 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.295 sec Total time needed 0.777 sec 8 8 8 8 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 1 306.2075999999998 AuxInfo=1/0/N:15,16,9,10,21,22,19,20,11,14,13,17,18,7,8,23,24,12,6,5,3,4,2,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)(16,17)(21,22)/CRV:9.3,11.3,12.3,13.3,16.3,17.3,18.3,21.1,22.1,23.1/rA:49nOO1O1O1NCCCCCC3C3C3CCCC3C3CCCCC3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s1s2s8;s11;s1s5;s13;s13;;s17;s17;s18;s19;s20s21;s3s5s17;s4s5s18;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s15;s15;s15;s16;s16;s16;s19;s19;s20;s20;s21;s21;s22;s22;/rC:1.183,-1.1363,-.3899;2.6334,-2.42,-1.4864;-.9716,-1.7091,2.0186;-1.6678,-.5337,-2.3104;-1.0767,-1.4208,-.2646;3.7635,.0474,.873;3.152,1.0241,-.0728;3.4182,-.4029,-.54;5.2414,.1742,1.1577;2.9822,-.4659,2.0577;1.8027,1.6081,.143;2.3952,-1.4161,-.8525;1.0154,2.1017,-.8148;.1337,-2.0692,-.6291;-.3046,2.7343,-.4939;1.3559,2.0378,-2.271;-2.6706,-.3242,.9867;-2.8799,.0114,-.2873;-3.4811,.1447,2.1369;-3.9504,.9192,-.7653;-4.7727,.7858,1.6256;-4.5236,1.694,.4224;-1.4941,-1.2257,1.0479;-1.8443,-.6426,-1.1244;3.8601,1.7164,-.5228;4.2783,-.5207,-1.1898;5.6731,-.7887,1.4383;5.7931,.5458,.2931;5.4147,.8678,1.9835;3.3217,-1.4662,2.334;3.1525,.1836,2.9189;1.9076,-.5153,1.9002;1.4602,1.6703,1.1722;.2732,-2.9644,-.0233;.0847,-2.3533,-1.6795;-1.116,2.2584,-1.0509;-.5441,2.6765,.5682;-.3161,3.7885,-.7848;1.2903,3.0256,-2.7347;2.3524,1.644,-2.4646;.6393,1.402,-2.7995;-3.6973,-.6836,2.816;-2.8946,.8642,2.7178;-3.5633,1.5989,-1.5281;-4.7311,.3286,-1.2561;-5.4776,-.0015,1.3426;-5.2435,1.3509,2.4313;-3.8241,2.4868,.7039;-5.451,2.1859,.1255; 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" 306.2075999999998 AuxInfo=1/0/N:15,16,9,10,21,22,19,20,11,14,13,17,18,7,8,23,24,12,6,5,3,4,2,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)(16,17)(21,22)/CRV:9.3,11.3,12.3,13.3,16.3,17.3,18.3,21.1,22.1,23.1/rA:49nOO1O1O1NCCCCCC3C3C3CCCC3C3CCCCC3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s1s2s8;s11;s1s5;s13;s13;;s17;s17;s18;s19;s20s21;s3s5s17;s4s5s18;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s15;s15;s15;s16;s16;s16;s19;s19;s20;s20;s21;s21;s22;s22;/rC:1.183,-1.1363,-.3899;2.6334,-2.42,-1.4864;-.9716,-1.7091,2.0186;-1.6678,-.5337,-2.3104;-1.0767,-1.4208,-.2646;3.7635,.0474,.873;3.152,1.0241,-.0728;3.4182,-.4029,-.54;5.2414,.1742,1.1577;2.9822,-.4659,2.0577;1.8027,1.6081,.143;2.3952,-1.4161,-.8525;1.0154,2.1017,-.8148;.1337,-2.0692,-.6291;-.3046,2.7343,-.4939;1.3559,2.0378,-2.271;-2.6706,-.3242,.9868;-2.8799,.0114,-.2873;-3.4811,.1447,2.1369;-3.9504,.9192,-.7653;-4.7727,.7858,1.6256;-4.5236,1.694,.4224;-1.4941,-1.2257,1.0479;-1.8443,-.6426,-1.1244;3.8601,1.7164,-.5228;4.2783,-.5207,-1.1898;5.6731,-.7887,1.4383;5.7931,.5458,.2931;5.4147,.8678,1.9835;3.3217,-1.4662,2.334;3.1525,.1836,2.9189;1.9076,-.5153,1.9002;1.4602,1.6703,1.1722;.2732,-2.9644,-.0233;.0847,-2.3533,-1.6795;-1.116,2.2584,-1.0509;-.5441,2.6765,.5682;-.3161,3.7885,-.7848;1.2903,3.0256,-2.7347;2.3524,1.644,-2.4646;.6393,1.402,-2.7995;-3.6973,-.6836,2.816;-2.8946,.8642,2.7178;-3.5633,1.5989,-1.5281;-4.7311,.3286,-1.2561;-5.4776,-.0015,1.3426;-5.2435,1.3509,2.4313;-3.8241,2.4868,.7039;-5.451,2.1859,.1255; 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 2892 GEPOL Volume 2298.2096 GEPOL Surface-area 1346.8614 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -1094.87420782 2219.73463858 -3314.60884640 -5901.25261104 2586.64376464 -0.03087571 -2184.91803717 1090.04382935 2.00443136 88.999782376143 88.999782376143 177.999564752286 -105.971971261055 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -524.7948 -523.6165 -523.6138 -523.0056 -393.9358 -283.3985 -283.3409 -283.3322 -282.3807 -280.4857 -280.4618 -280.2756 -279.9781 -279.9222 -279.7959 -279.7904 -279.6817 -279.4915 -279.4858 -279.2285 -279.1785 -279.1694 -279.1617 -279.1351 -33.8825 -32.9127 -32.3963 -31.1572 -29.7534 -27.3403 -26.8397 -25.1319 -24.9350 -23.8987 -23.3819 -22.8873 -22.0871 -21.8002 -21.7521 -21.3156 -20.8723 -20.1658 -19.7683 -19.0038 -18.4019 -18.0007 -17.9561 -17.1184 -16.7068 -16.4911 -16.1870 -16.0773 -15.9666 -15.6275 -15.4906 -15.3775 -15.0978 -14.9771 -14.6897 -14.5106 -14.4930 -14.3132 -14.0575 -13.9550 -13.9118 -13.7601 -13.7116 -13.5227 -13.1409 -13.0258 -12.9683 -12.8492 -12.8090 -12.4173 -12.2584 -11.9289 -11.6661 -11.6188 -11.4749 -11.4317 -11.2287 -11.1716 -10.8998 -10.6808 -10.4129 -10.2374 -9.8336 -9.6308 -8.5774 -0.4275 2.0277 2.6623 2.9069 3.0881 3.3987 3.7101 3.7799 3.9369 4.1655 4.2002 4.3907 4.5274 4.7165 4.9418 4.9715 5.0245 5.1384 5.2171 5.2570 5.4042 5.4319 5.5325 5.6452 5.7562 5.9720 6.1087 6.2042 6.2812 6.4808 6.5187 6.5648 6.6137 6.7173 6.8309 7.0044 7.0968 7.2243 7.2770 7.3407 7.3835 7.5519 7.6555 7.7783 7.8534 7.9036 8.0214 8.2218 8.2530 8.3289 8.6654 8.8388 8.9660 9.0771 9.1791 9.1984 9.4825 9.6024 9.7144 9.8785 9.9797 10.0980 10.1631 10.2116 10.3861 10.5416 10.7310 10.8735 10.9840 11.1123 11.2284 11.4529 11.5909 11.6880 11.7785 11.8326 12.1133 12.2541 12.2807 12.3466 12.5412 12.5768 12.6738 12.8026 12.9177 13.0475 13.2320 13.2418 13.3743 13.4198 13.5453 13.6369 13.6492 13.8939 13.9592 13.9938 14.0560 14.1729 14.2183 14.3219 14.4547 14.5195 14.5672 14.6208 14.7048 14.7225 14.8277 15.0267 15.1195 15.1751 15.2230 15.3080 15.3379 15.4310 15.4601 15.5174 15.6512 15.7224 15.7959 15.9193 15.9897 16.1346 16.2288 16.3877 16.4064 16.6179 16.7917 16.8220 16.8925 17.0296 17.1732 17.3611 17.4423 17.5477 17.6490 17.7813 18.0761 18.1581 18.2447 18.4481 18.6575 18.7137 18.7670 18.9475 19.1567 19.2191 19.2924 19.5179 19.9257 20.0590 20.1375 20.2826 20.4162 20.5055 20.6235 20.7470 20.9763 21.1800 21.4664 21.6230 21.7687 22.0045 22.0831 22.1993 22.2310 22.3907 22.5588 22.8627 23.1163 23.1776 23.3451 23.4593 23.8119 23.8528 24.0687 24.0736 24.2496 24.3517 24.5256 24.6447 24.7648 24.9671 25.1450 25.2715 25.5356 25.6404 25.9230 26.0218 26.0660 26.3403 26.4083 26.5558 26.6616 26.8588 27.1632 27.5858 27.6237 27.7972 28.0597 28.1753 28.2862 28.5120 28.7088 28.7350 28.9129 28.9631 29.0809 29.2669 29.3353 29.4479 29.5123 29.7733 29.8961 29.9464 30.1358 30.2711 30.3069 30.3815 30.4245 30.5536 30.7002 30.8375 31.0488 31.0911 31.1177 31.2973 31.4889 31.5624 31.7921 31.9026 32.2519 32.3103 32.4031 32.5024 32.6741 32.6927 32.8357 33.0864 33.1332 33.1992 33.3427 33.4165 33.6261 33.6502 33.7799 33.9197 34.0169 34.1938 34.2882 34.3736 34.5759 34.6683 34.7991 34.9309 35.0493 35.4393 35.5905 35.8002 35.8198 36.0022 36.1948 36.3583 36.4840 36.5437 36.6671 36.7632 37.1826 37.2186 37.3922 37.5764 37.7020 37.8380 37.9921 38.1081 38.3398 38.4589 38.5626 38.7987 38.9392 39.0055 39.1591 39.1837 39.4745 39.6664 39.8270 39.9199 40.2080 40.3572 40.5529 40.6662 40.7583 40.8936 41.0501 41.1788 41.2410 41.3602 41.4986 41.7064 41.8960 41.9669 42.1648 42.2839 42.4602 42.5485 42.6564 42.8118 42.8384 42.9210 43.0202 43.1823 43.3193 43.3687 43.6278 43.6865 43.8310 43.9747 44.0466 44.1478 44.3091 44.5171 44.6729 44.7445 44.7584 45.0867 45.1103 45.3204 45.3554 45.4174 45.9328 45.9557 46.2533 46.3960 46.5410 46.7755 46.9200 47.0232 47.1237 47.2344 47.3741 47.4746 47.6292 47.7460 47.9965 48.0532 48.1983 48.3550 48.3792 48.5200 48.6397 48.9080 49.1111 49.2392 49.5023 49.7514 49.8803 50.1401 50.2769 50.6409 50.8953 50.9490 51.0963 51.6889 51.8008 51.9639 52.3476 52.4955 52.7403 52.8668 53.2010 53.5779 53.7799 53.8324 54.1228 54.5274 55.1344 55.2348 55.5245 55.8526 56.0417 56.3822 56.4846 56.7180 57.1887 57.2692 57.3964 57.5678 57.8965 58.2254 58.6920 58.9512 59.1358 59.2541 59.3512 59.7973 60.1548 60.3148 60.5270 60.6592 60.8383 61.3528 61.5718 62.0119 62.1659 62.3518 62.7428 62.7859 63.0983 63.1996 63.3025 63.4893 63.6036 63.8994 64.1536 64.2224 64.4370 65.0812 65.0962 65.4085 65.7935 65.9594 66.2539 66.5077 66.6061 67.2531 67.8106 67.9099 68.0563 68.2218 68.4535 68.7301 68.8454 69.1238 69.5611 70.1784 70.5409 70.6525 71.0393 71.1620 71.4028 71.5857 71.8039 71.9418 72.0756 72.3323 72.4798 72.8339 72.9906 73.1083 73.1844 73.4334 73.7445 73.8250 74.1249 74.2200 74.5319 74.6669 74.8438 75.1239 75.2022 75.3628 75.6266 75.8039 75.9643 76.1209 76.3497 76.5883 76.7359 77.0038 77.1563 77.3699 77.4780 77.5403 77.8591 77.9724 78.1413 78.2358 78.4968 78.7344 78.8237 78.9984 79.0664 79.2609 79.2901 79.5258 79.6127 79.7709 79.9645 80.0704 80.1843 80.5372 80.6795 80.7066 81.0326 81.0533 81.1977 81.3619 81.4701 81.6077 81.8529 81.9053 82.0505 82.1484 82.2164 82.4165 82.6225 82.9251 83.0462 83.2185 83.3891 83.4960 83.8472 84.0014 84.1225 84.1685 84.2502 84.2597 84.4010 84.5898 84.7204 84.9530 85.0495 85.1716 85.4439 85.4684 85.5557 85.7055 85.7974 85.9372 86.1170 86.2568 86.4637 86.5254 86.7125 86.8939 86.9785 87.0653 87.1683 87.2041 87.3925 87.5859 87.7325 87.8957 87.9848 88.1174 88.2213 88.3227 88.4363 88.5433 88.7123 88.8673 88.9399 89.0934 89.2429 89.3142 89.5561 89.6516 89.6882 89.9217 90.0386 90.2356 90.2856 90.4992 90.6056 90.6826 90.8361 90.8522 90.9481 91.2059 91.3295 91.7506 91.9357 92.0436 92.1151 92.3267 92.4527 92.5575 92.6953 92.9482 93.1071 93.1420 93.2256 93.5495 93.5898 93.6643 93.8527 93.9942 94.4422 94.4931 94.5225 94.5905 94.6610 94.7918 94.8587 94.9262 95.0639 95.4703 95.5197 95.5616 95.7624 95.9028 96.1117 96.2392 96.3646 96.4736 96.5504 96.7874 96.9453 97.0814 97.2338 97.3220 97.3831 97.6492 97.7816 97.8668 97.9957 98.1443 98.3725 98.5028 98.6758 98.7569 98.9507 99.0498 99.2541 99.4131 99.6358 99.9404 99.9714 100.0565 100.2795 100.4264 100.4820 100.6280 100.6727 100.8431 100.9640 101.2857 101.3839 101.7251 101.8134 101.9662 102.2690 102.3396 102.4819 102.6143 102.7877 103.0040 103.1353 103.2475 103.3434 103.5763 103.6102 103.6460 103.8199 103.9732 104.1160 104.2832 104.6542 104.7680 104.9184 104.9944 105.1938 105.2803 105.4547 105.5356 105.8554 106.2538 106.3758 106.4260 107.0021 107.1774 107.1894 107.4548 107.5783 107.6982 107.9487 108.2078 108.3655 108.5878 108.6859 108.7912 109.0454 109.1326 109.3557 109.4230 109.5881 109.8894 110.2131 110.2744 110.3203 110.4451 110.5261 110.7552 110.8478 110.9977 111.0693 111.2699 111.5089 111.5416 111.8106 111.9028 112.0212 112.1289 112.3467 112.4936 112.7567 112.9692 113.2524 113.2990 113.3917 113.5983 113.7922 114.0174 114.0952 114.2416 114.4014 114.5270 114.6408 114.7311 114.9451 115.0576 115.1565 115.2713 115.2741 115.4415 115.6220 115.7301 116.0983 116.3363 116.4812 116.5428 116.6303 116.6808 116.7512 116.9004 116.9965 117.3622 117.4991 117.6702 117.6979 117.8775 118.0350 118.2232 118.3208 118.3876 118.5724 118.6814 118.8145 118.9401 119.1006 119.3293 119.5304 119.7578 119.8055 119.9873 120.3980 120.4920 120.6949 120.7689 120.9849 121.0514 121.3548 121.4794 121.7318 121.9702 122.2424 122.5041 122.5754 122.8577 123.0131 123.1409 123.5012 123.7064 124.0349 124.1866 124.3173 124.3473 124.4658 124.8622 124.8994 125.5934 125.8100 125.9398 126.3059 126.4462 126.6637 126.8967 127.1810 127.2576 127.5919 127.8266 127.9014 128.1655 128.3519 128.6827 128.8407 129.2035 129.4542 129.5860 129.6719 129.8238 129.9665 130.1162 130.5091 130.5358 130.7899 131.1536 131.2937 131.4158 131.5777 131.7579 131.8625 131.9618 132.4756 132.6414 132.7174 133.3582 133.5520 133.9188 134.1175 134.2310 134.5204 134.5715 134.6149 134.6468 135.1016 135.5677 135.7393 136.1430 136.2504 136.3221 136.8421 137.0247 137.5035 137.7836 137.9743 138.0488 138.8018 138.9588 139.0348 139.1528 139.5243 139.7889 139.9155 140.1210 140.3437 140.5779 140.8089 141.4667 141.5101 141.7242 141.9475 142.1261 142.3681 142.4070 142.6158 142.8136 143.1484 143.5859 143.6225 143.8247 143.8805 144.3462 144.5548 144.6627 144.8277 145.1475 145.3020 145.5563 145.7177 145.8674 145.9705 146.1541 146.3856 146.5046 146.8019 146.8535 146.9395 147.1359 147.4457 147.7558 148.2126 148.3289 148.4583 148.4959 148.6927 149.2470 149.4797 149.5799 149.6368 149.8638 150.1116 150.2503 150.4287 150.6448 150.7075 150.8051 150.9025 151.1544 151.2469 151.3520 151.5478 151.7302 152.0620 152.4950 152.5759 152.7841 153.0167 153.1666 153.3267 153.5916 153.7580 154.3031 154.5376 154.7326 154.9810 155.1742 155.4434 155.6825 155.7995 156.0108 156.4112 156.5883 157.0313 157.0617 157.7830 157.8605 158.0104 158.0880 158.5822 158.8721 159.0002 159.3284 159.4419 159.4946 159.7659 159.9688 160.1934 160.5584 160.7459 161.3180 161.5044 161.7585 162.7854 163.5618 165.7136 166.0732 166.2127 166.7666 169.3351 171.1040 171.4371 172.0067 173.0857 173.7220 175.8053 176.0548 176.1363 176.6991 176.7949 179.5367 180.4112 181.3220 181.8811 182.1773 187.1403 187.6134 188.0365 188.2336 188.6174 189.1461 192.3304 193.2901 193.6666 195.3947 196.1697 196.6813 196.8675 199.1065 199.3498 206.7469 207.5368 619.2281 623.2830 625.3358 632.8624 635.9653 638.3990 640.0068 641.1844 641.8343 642.3965 643.3056 643.6131 644.5758 645.3427 647.0621 647.8850 649.8153 651.0958 651.6837 902.4856 1198.4296 1200.2039 1201.3570 1211.8430 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 O O O O 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 -0.248544 -0.470503 -0.408547 -0.407661 -0.086284 0.137742 -0.018944 -0.155753 -0.268756 -0.282677 -0.241022 0.424202 -0.029799 0.064407 -0.236567 -0.263892 -0.037385 -0.077150 -0.068666 -0.083263 -0.134596 -0.131781 0.299978 0.277214 0.113701 0.094957 0.096082 0.086431 0.093132 0.103056 0.099682 0.077860 0.123031 0.142078 0.126554 0.075338 0.092064 0.112378 0.104160 0.093040 0.094327 0.094885 0.100558 0.097381 0.109334 0.077089 0.081166 0.077289 0.082676 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 O O O O 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 8.2485 8.4705 8.4085 8.4077 7.0863 5.8623 6.0189 6.1558 6.2688 6.2827 6.2410 5.5758 6.0298 5.9356 6.2366 6.2639 6.0374 6.0771 6.0687 6.0833 6.1346 6.1318 5.7000 5.7228 0.8863 0.9050 0.9039 0.9136 0.9069 0.8969 0.9003 0.9221 0.8770 0.8579 0.8734 0.9247 0.9079 0.8876 0.8958 0.9070 0.9057 0.9051 0.8994 0.9026 0.8907 0.9229 0.9188 0.9227 0.9173 8.0000 8.0000 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 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 -0.2485 -0.4705 -0.4085 -0.4077 -0.0863 0.1377 -0.0189 -0.1558 -0.2688 -0.2827 -0.2410 0.4242 -0.0298 0.0644 -0.2366 -0.2639 -0.0374 -0.0771 -0.0687 -0.0833 -0.1346 -0.1318 0.3000 0.2772 0.1137 0.0950 0.0961 0.0864 0.0931 0.1031 0.0997 0.0779 0.1230 0.1421 0.1266 0.0753 0.0921 0.1124 0.1042 0.0930 0.0943 0.0949 0.1006 0.0974 0.1093 0.0771 0.0812 0.0773 0.0827 2.1014 2.0350 2.1019 2.0956 3.1169 3.7366 3.7869 3.8892 3.9080 3.9148 3.8268 4.1046 3.6935 3.9054 3.9333 3.9484 3.6509 3.6387 3.9136 3.9077 3.9131 3.9094 4.1934 4.1787 1.0045 1.0281 1.0018 1.0053 1.0018 1.0015 0.9998 1.0108 0.9977 0.9965 1.0114 0.9968 1.0062 0.9985 0.9999 1.0047 1.0047 1.0141 1.0064 1.0105 1.0047 1.0069 1.0096 1.0086 1.0103 2.1014 2.0350 2.1019 2.0956 3.1169 3.7366 3.7869 3.8892 3.9080 3.9148 3.8268 4.1046 3.6935 3.9054 3.9333 3.9484 3.6509 3.6387 3.9136 3.9077 3.9131 3.9094 4.1934 4.1787 1.0045 1.0281 1.0018 1.0053 1.0018 1.0015 0.9998 1.0108 0.9977 0.9965 1.0114 0.9968 1.0062 0.9985 0.9999 1.0047 1.0047 1.0141 1.0064 1.0105 1.0047 1.0069 1.0096 1.0086 1.0103 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.1563 0.8882 1.8874 2.0240 2.0195 0.9704 1.1070 1.1257 0.9482 0.8846 0.9392 0.9306 0.9118 0.9374 1.0091 1.0227 1.0151 0.9936 0.9845 0.9932 0.9913 0.9931 0.9940 1.8342 1.0068 0.9649 0.9624 0.9675 0.9716 0.9717 1.0021 0.9861 0.9864 1.0041 0.9782 1.7159 0.9836 0.9543 0.9787 0.9364 0.9276 0.9959 0.9846 0.9262 1.0055 0.9797 0.9249 1.0064 1.0073 1.0076 1.0083 0 11 0 13 1 11 2 22 3 23 4 13 4 22 4 23 5 6 5 7 5 8 5 9 6 7 6 10 6 24 7 11 7 25 8 26 8 27 8 28 9 29 9 30 9 31 10 12 10 32 12 14 12 15 13 33 13 34 14 35 14 36 14 37 15 38 15 39 15 40 16 17 16 18 16 22 17 19 17 23 18 20 18 41 18 42 19 21 19 43 19 44 20 21 20 45 20 46 21 47 21 48 -0.028518343 -1094.902726160029 2.59928 -4.23943 -1.64015 18.88781 -17.05491 1.83290 6.29151 -5.23853 1.05299 2.67552 6.80062