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:.6408,1.0185,-1.3533;1.4767,2.9398,-.5544;-2.2096,-.7299,-2.1864;-1.4439,2.6275,.7701;-1.661,1.1786,-1.0119;2.2958,-.0427,1.0994;2.7611,-.5647,-.2304;2.5915,.9253,-.037;.8699,-.3157,1.5162;3.2516,0,2.2656;4.1235,-1.0985,-.4355;1.5321,1.7369,-.6606;4.4437,-2.2776,-.9787;-.5626,1.6273,-1.8043;5.879,-2.6821,-1.1368;3.4569,-3.2944,-1.4638;-3.1831,-.2458,-.0234;-2.9656,.7479,.84;-4.1231,-1.3725,.191;-3.6436,.9051,2.1488;-4.5508,-1.4088,1.6596;-4.8654,-.014,2.1986;-2.3286,-.0273,-1.2144;-1.9494,1.6576,.2627;1.9798,-1.0467,-.8069;3.5035,1.4968,.1001;.8421,-1.1963,2.1607;.2076,-.5156,.6759;.458,.5188,2.0875;4.2633,.2792,1.9743;3.3014,-.975,2.7544;2.9118,.724,3.0083;4.9388,-.4574,-.1121;-.7154,1.3131,-2.8331;-.506,2.7125,-1.7748;6.565,-1.932,-.744;6.1246,-2.8462,-2.1893;6.0799,-3.6261,-.6238;3.5337,-4.2098,-.8718;3.6748,-3.5803,-2.4954;2.4214,-2.9634,-1.4217;-4.9917,-1.2434,-.4623;-3.6599,-2.3162,-.1056;-2.9408,.6604,2.9515;-3.9304,1.9474,2.3047;-5.4205,-2.0574,1.7691;-3.7497,-1.8534,2.2564;-5.2292,-.082,3.2243;-5.6715,.4289,1.6072; 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 2139.9103410801 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 1.356e-05 Time for diagonalization 0.278 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.251 sec Total time needed 0.536 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:.6408,1.0185,-1.3533;1.4767,2.9398,-.5544;-2.2096,-.7299,-2.1864;-1.4439,2.6275,.7701;-1.661,1.1786,-1.0119;2.2958,-.0427,1.0994;2.7611,-.5647,-.2304;2.5915,.9253,-.037;.8699,-.3157,1.5162;3.2516,0,2.2656;4.1235,-1.0985,-.4355;1.5321,1.7369,-.6606;4.4437,-2.2776,-.9787;-.5626,1.6273,-1.8043;5.879,-2.6821,-1.1368;3.4569,-3.2944,-1.4638;-3.1831,-.2458,-.0234;-2.9656,.7479,.84;-4.1231,-1.3725,.191;-3.6436,.9051,2.1488;-4.5508,-1.4088,1.6596;-4.8654,-.014,2.1986;-2.3286,-.0273,-1.2144;-1.9494,1.6576,.2627;1.9798,-1.0467,-.8069;3.5035,1.4968,.1001;.8421,-1.1963,2.1607;.2076,-.5156,.6759;.458,.5188,2.0875;4.2633,.2792,1.9743;3.3014,-.975,2.7544;2.9118,.724,3.0083;4.9388,-.4574,-.1121;-.7154,1.3131,-2.8331;-.506,2.7125,-1.7748;6.565,-1.932,-.744;6.1246,-2.8462,-2.1893;6.0799,-3.6261,-.6238;3.5337,-4.2098,-.8718;3.6748,-3.5803,-2.4954;2.4214,-2.9634,-1.4217;-4.9917,-1.2434,-.4623;-3.6599,-2.3162,-.1056;-2.9408,.6604,2.9515;-3.9304,1.9474,2.3047;-5.4205,-2.0574,1.7691;-3.7497,-1.8534,2.2564;-5.2292,-.082,3.2243;-5.6715,.4289,1.6072; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 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:.6408,1.0185,-1.3533;1.4767,2.9398,-.5544;-2.2096,-.7299,-2.1864;-1.4439,2.6275,.7701;-1.661,1.1786,-1.0119;2.2958,-.0427,1.0994;2.7611,-.5647,-.2304;2.5915,.9253,-.037;.8699,-.3157,1.5162;3.2516,0,2.2656;4.1235,-1.0985,-.4355;1.5321,1.7369,-.6606;4.4437,-2.2776,-.9787;-.5626,1.6273,-1.8043;5.879,-2.6821,-1.1368;3.4569,-3.2944,-1.4638;-3.1831,-.2458,-.0234;-2.9656,.7479,.84;-4.1231,-1.3725,.191;-3.6436,.9051,2.1488;-4.5508,-1.4088,1.6596;-4.8654,-.014,2.1986;-2.3286,-.0273,-1.2144;-1.9494,1.6576,.2627;1.9798,-1.0467,-.8069;3.5035,1.4968,.1001;.8421,-1.1963,2.1607;.2076,-.5156,.6759;.458,.5188,2.0875;4.2633,.2792,1.9743;3.3014,-.975,2.7544;2.9118,.724,3.0083;4.9388,-.4574,-.1121;-.7154,1.3131,-2.8331;-.506,2.7125,-1.7748;6.565,-1.932,-.744;6.1246,-2.8462,-2.1893;6.0799,-3.6261,-.6238;3.5337,-4.2098,-.8718;3.6748,-3.5803,-2.4954;2.4214,-2.9634,-1.4217;-4.9917,-1.2434,-.4623;-3.6599,-2.3162,-.1056;-2.9408,.6604,2.9515;-3.9304,1.9474,2.3047;-5.4205,-2.0574,1.7691;-3.7497,-1.8534,2.2564;-5.2292,-.082,3.2243;-5.6715,.4289,1.6072; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2892 GEPOL Volume 2264.2434 GEPOL Surface-area 1343.8236 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.86855332 2139.91034108 -3234.77889440 -5741.61417968 2506.83528528 -0.04261598 -2184.90978874 1090.04123542 2.00442856 88.999951936315 88.999951936315 177.999903872629 -105.974709482035 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 -524.8967 -523.6758 -523.6683 -523.1956 -393.9570 -283.5675 -283.3921 -283.3816 -282.3588 -280.4807 -280.4561 -280.3317 -280.0031 -279.8949 -279.7414 -279.7364 -279.7325 -279.4196 -279.4141 -279.2908 -279.1790 -279.1598 -279.1448 -279.1225 -33.8949 -32.9382 -32.4408 -31.3399 -29.7635 -27.4078 -26.8109 -25.1562 -24.8772 -23.8624 -23.4407 -22.9714 -22.0534 -21.8078 -21.7358 -21.3180 -20.8885 -20.1666 -19.7592 -19.0959 -18.2543 -18.0862 -17.8867 -17.3340 -16.9759 -16.4757 -16.2639 -16.1793 -16.0490 -15.6461 -15.4658 -15.2256 -15.1044 -14.8111 -14.6182 -14.5583 -14.4707 -14.4539 -14.1920 -13.9903 -13.9748 -13.6339 -13.5608 -13.4205 -13.1278 -13.0795 -12.8487 -12.7976 -12.6874 -12.5357 -12.3352 -12.0100 -11.8573 -11.6279 -11.5424 -11.4158 -11.4023 -11.1431 -10.9383 -10.7754 -10.5896 -10.2861 -10.0313 -9.6590 -8.4178 -0.4572 1.9800 2.7246 2.9622 3.0958 3.4433 3.7735 3.8198 4.1245 4.1772 4.2878 4.3781 4.5513 4.7017 4.7763 5.0046 5.0733 5.0980 5.2213 5.3286 5.4407 5.5809 5.6174 5.6732 5.8374 6.0118 6.0552 6.0936 6.1613 6.2969 6.4350 6.4797 6.5966 6.6827 6.9083 6.9486 7.0591 7.1374 7.2268 7.3102 7.4613 7.5370 7.6087 7.7136 7.8253 8.0277 8.0574 8.1448 8.1755 8.2977 8.5534 8.7213 8.8740 8.9318 9.0385 9.0929 9.3351 9.3795 9.5284 9.5882 9.8043 9.9075 10.0399 10.1590 10.4264 10.5092 10.6134 10.7029 10.8580 10.9128 10.9956 11.1534 11.2051 11.3805 11.4598 11.6396 11.8148 11.9530 12.1481 12.1674 12.3855 12.4801 12.5865 12.7097 12.8878 12.9809 13.0962 13.1485 13.2792 13.3854 13.4992 13.6109 13.6406 13.7167 13.8200 13.8915 13.9597 14.0297 14.1445 14.2015 14.3224 14.3577 14.4457 14.5107 14.6373 14.6744 14.7809 14.8473 14.9813 15.1270 15.1591 15.2780 15.3258 15.3979 15.4763 15.5118 15.5402 15.5872 15.6779 15.8283 15.9233 15.9642 16.0544 16.2979 16.3197 16.4246 16.6032 16.6751 16.7662 16.9055 17.0685 17.1974 17.2486 17.4355 17.5057 17.5379 17.6677 17.8119 17.9946 18.0683 18.3596 18.5016 18.6341 18.9148 18.9996 19.1584 19.2181 19.4041 19.4789 19.6515 19.8274 19.8944 20.0573 20.1388 20.4687 20.6795 20.7738 20.9185 21.2058 21.3663 21.5775 21.6357 21.8548 21.8794 22.0778 22.2058 22.4714 22.5503 22.7581 22.8186 22.9819 23.1505 23.1959 23.6268 23.8733 23.9413 24.0506 24.0999 24.2813 24.3727 24.4624 24.7615 24.8413 25.0307 25.2516 25.4188 25.5137 25.6179 25.8900 26.0433 26.1778 26.3498 26.4412 26.5817 26.7263 27.1080 27.2825 27.3144 27.4200 27.6079 27.9044 28.0125 28.1352 28.3630 28.4830 28.5996 28.6824 28.9693 29.0557 29.2531 29.3728 29.4224 29.5219 29.6519 29.7531 29.8938 30.0060 30.1422 30.2924 30.4346 30.5118 30.6574 30.7680 31.0634 31.1580 31.2229 31.3974 31.4572 31.5102 31.6936 31.7196 31.8595 31.9608 32.1331 32.3327 32.4190 32.5849 32.7277 32.8803 32.9750 33.0890 33.2247 33.4128 33.4807 33.7258 33.7933 33.8444 33.9730 34.0091 34.1278 34.3668 34.4978 34.7094 34.7240 34.9177 35.1493 35.3276 35.4434 35.6040 35.8088 35.9255 36.2254 36.2788 36.3459 36.4235 36.6244 36.6816 37.0302 37.0442 37.1389 37.2527 37.3719 37.5624 37.6862 37.8777 37.9642 38.0682 38.4967 38.6601 38.7805 38.9865 39.1292 39.2161 39.3863 39.5235 39.7133 39.9161 40.0704 40.1962 40.4281 40.5813 40.7226 40.9190 41.0513 41.2922 41.4319 41.5833 41.6410 41.7979 41.9651 42.1983 42.2212 42.3459 42.3732 42.4963 42.5921 42.6879 42.8510 42.9556 43.0213 43.2379 43.3218 43.4030 43.5314 43.6704 43.8170 43.8704 43.9202 44.0052 44.1251 44.2725 44.6073 44.7812 44.9005 44.9296 44.9820 45.1156 45.2862 45.4081 45.7557 45.9207 46.1535 46.2773 46.4176 46.4708 46.6571 46.7494 46.9281 47.0219 47.0388 47.2415 47.4626 47.6214 47.7923 47.8891 47.8992 48.0041 48.2808 48.4044 48.6747 48.9155 48.9821 49.0160 49.3781 49.4727 49.6267 49.9357 50.2482 50.5018 50.7945 50.8669 51.2299 51.4943 51.5543 51.6997 51.9834 52.1856 52.6122 53.0990 53.4190 53.5646 53.6329 53.8796 53.9922 54.5399 54.6975 55.0748 55.3840 55.7302 55.7937 56.2483 56.3575 56.6605 57.1772 57.3230 57.4421 57.6575 57.7180 58.3526 58.5736 58.6083 58.9652 59.1181 59.6580 59.8990 60.2318 60.4051 60.6367 60.8327 61.2244 61.2913 61.5317 61.7378 61.9244 62.2794 62.3266 62.8488 62.9401 62.9880 63.2718 63.3819 63.5210 63.6966 64.0165 64.6606 64.9463 65.0434 65.2800 65.5220 65.8359 66.0304 66.4649 66.6003 67.0835 67.3187 67.7400 67.9666 68.0766 68.3829 68.5370 68.8130 69.1258 69.5725 69.8284 70.2145 70.6051 70.6401 70.8452 70.9497 71.1367 71.3580 71.5561 71.9294 72.0007 72.3969 72.6666 72.7529 72.8840 73.2211 73.3020 73.3427 73.4390 73.8482 74.1699 74.3994 74.4762 74.7417 74.9726 75.1330 75.2916 75.4840 75.5759 75.6404 75.8213 76.0592 76.3531 76.5580 76.7703 77.0398 77.2766 77.4043 77.5007 77.5550 77.8271 77.9626 77.9786 78.0828 78.5172 78.7805 78.9097 78.9330 79.2353 79.3095 79.3420 79.6184 79.6666 79.7411 79.7933 79.9644 80.2480 80.5038 80.5991 80.7516 80.9209 80.9359 81.1721 81.2587 81.6094 81.6630 81.7245 81.8325 81.9503 82.3049 82.4888 82.5836 82.7559 82.8191 83.0266 83.0816 83.2832 83.3805 83.6763 83.7777 83.8883 83.9329 84.1023 84.1689 84.5197 84.5891 84.6681 84.7499 85.0814 85.1651 85.2525 85.3764 85.4582 85.5461 85.5996 85.7893 86.0526 86.1528 86.3010 86.3660 86.5242 86.5630 86.6711 86.8392 86.9294 87.0392 87.1884 87.4549 87.5182 87.6292 87.7159 87.8496 88.0196 88.2456 88.3462 88.6103 88.8024 88.8319 88.9571 88.9891 89.1465 89.4323 89.4716 89.6268 89.6993 90.0093 90.0293 90.2962 90.4281 90.5638 90.6544 90.7106 90.8363 90.9579 91.0934 91.2538 91.3688 91.5119 91.6223 91.8147 91.9628 92.2111 92.2729 92.3280 92.6589 92.6959 92.9058 93.0100 93.3388 93.4232 93.6383 93.6874 93.7280 93.8311 94.0473 94.1641 94.4264 94.4934 94.5812 94.7366 94.8611 94.9301 95.0685 95.2413 95.3250 95.4896 95.6589 95.8546 96.0336 96.0918 96.4105 96.4640 96.7732 96.7983 96.9488 97.0645 97.2333 97.3534 97.5624 97.6331 98.0211 98.1235 98.1611 98.2949 98.4112 98.4381 98.6992 98.7999 98.9024 99.3189 99.5067 99.5726 99.6797 99.8560 100.0355 100.1818 100.3180 100.4260 100.4769 100.6511 100.7581 100.8614 101.0342 101.3705 101.4482 101.6455 101.9293 102.0745 102.1101 102.2670 102.3984 102.4987 102.7266 102.9280 103.0634 103.2121 103.3962 103.5446 103.7309 103.9494 104.0592 104.2078 104.2747 104.3438 104.5405 104.8492 104.9202 105.1437 105.4003 105.4465 105.7000 105.8848 106.0094 106.4503 106.6976 106.7677 107.0633 107.2631 107.3941 107.4541 107.6591 107.7704 108.0649 108.0787 108.5002 108.6236 108.9242 108.9464 109.0991 109.1921 109.3270 109.4778 109.6195 109.8072 109.9999 110.0924 110.3056 110.3932 110.5960 110.6192 110.7968 110.9783 111.0459 111.1720 111.2685 111.6104 111.7018 111.8997 112.0197 112.0740 112.2242 112.3941 112.5898 112.6771 112.8427 113.1541 113.3245 113.3759 113.6585 113.7662 113.9978 114.1484 114.2546 114.3280 114.5329 114.7101 114.8780 114.9654 115.0804 115.1085 115.3077 115.3389 115.3863 115.5677 115.7492 115.9444 116.0164 116.0973 116.5291 116.6946 116.8838 117.0360 117.1487 117.2434 117.4405 117.6171 117.6871 117.7655 117.9637 118.0333 118.1686 118.3131 118.4410 118.5746 118.8287 119.0488 119.1642 119.2888 119.4516 119.6244 119.9195 120.2059 120.3745 120.6002 120.6855 120.7200 120.9322 121.3372 121.3852 121.5930 121.9102 122.3107 122.3492 122.6606 122.9594 123.0923 123.2260 123.4581 123.5625 123.9421 124.1155 124.1263 124.4685 124.6009 125.0150 125.3483 125.4542 125.7217 125.9583 126.0955 126.1816 126.4267 126.6806 126.8954 127.0287 127.5474 127.6273 127.9774 128.1246 128.2648 128.4374 128.8113 129.0669 129.2092 129.4611 129.4795 129.8496 129.9614 130.1588 130.3526 130.4265 130.5562 130.7199 130.9811 131.1624 131.5941 131.7368 132.0726 132.2355 132.4867 132.6276 132.8722 133.3966 133.6137 134.0333 134.1511 134.2995 134.4922 134.5624 134.6828 134.6987 135.2030 135.4950 135.8800 135.9555 136.3049 136.7561 137.0590 137.2699 137.4964 137.6737 137.9372 138.6077 139.1227 139.3429 139.4532 139.4938 139.7992 139.9717 140.0031 140.1029 140.2402 140.5218 140.9241 141.0833 141.4108 141.6612 141.9030 141.9859 142.2057 142.4277 142.5674 142.8731 143.1596 143.1854 143.6079 143.7595 143.9269 144.1824 144.3762 144.5170 144.7577 144.8640 145.3003 145.4640 145.5180 145.6486 145.7496 145.8182 146.3599 146.4595 146.7078 146.8687 146.8967 147.1197 147.6312 147.8038 148.1116 148.2743 148.4062 148.6531 148.9006 149.0723 149.1371 149.3388 149.5735 149.7295 149.7714 150.1292 150.3928 150.6076 150.6835 150.8295 150.9942 151.0478 151.2593 151.4010 151.6714 151.7719 152.0209 152.3010 152.4779 152.6629 152.8102 152.9066 153.2107 153.7016 153.7836 154.1189 154.6040 154.8229 154.8495 155.2690 155.4592 155.6307 155.9330 156.3985 156.5382 156.7813 157.0350 157.5157 157.7149 157.9487 157.9756 158.0279 158.0748 158.4928 159.3841 159.4908 159.7056 159.7660 160.0386 160.4662 160.5415 160.5605 160.9331 161.4259 161.7747 162.3364 163.2624 164.2726 164.6947 166.3665 167.1020 167.8442 168.1175 170.5549 171.5507 171.7952 172.7264 173.2537 175.5492 175.8077 175.9672 176.7426 177.2235 179.5420 180.2556 181.6978 182.1695 182.3842 185.4568 186.7427 187.4310 187.8321 188.2786 188.7462 192.1255 192.4685 194.6245 195.5695 195.7003 196.5626 196.8178 197.5888 199.1147 204.4437 207.4928 618.7771 621.7348 626.9472 630.6035 635.7526 638.2618 640.0382 640.7166 641.3035 642.5099 642.8038 643.3805 643.7451 645.0857 646.8902 647.7324 649.8238 650.4536 651.7959 902.3492 1198.7702 1199.6168 1201.0140 1210.7559 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 -0.275017 -0.478256 -0.433296 -0.428602 -0.088115 0.111477 0.074208 -0.130809 -0.270902 -0.273541 -0.304421 0.427059 -0.048069 0.058751 -0.221310 -0.251322 -0.065953 -0.030078 -0.065811 -0.070632 -0.138478 -0.134549 0.340102 0.275688 0.101632 0.094112 0.102402 0.075328 0.099515 0.089279 0.096766 0.098835 0.122233 0.131273 0.138423 0.088856 0.094514 0.093139 0.098728 0.094273 0.088756 0.101631 0.093826 0.102379 0.095345 0.081229 0.079691 0.081212 0.078496 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 8.2750 8.4783 8.4333 8.4286 7.0881 5.8885 5.9258 6.1308 6.2709 6.2735 6.3044 5.5729 6.0481 5.9412 6.2213 6.2513 6.0660 6.0301 6.0658 6.0706 6.1385 6.1345 5.6599 5.7243 0.8984 0.9059 0.8976 0.9247 0.9005 0.9107 0.9032 0.9012 0.8778 0.8687 0.8616 0.9111 0.9055 0.9069 0.9013 0.9057 0.9112 0.8984 0.9062 0.8976 0.9047 0.9188 0.9203 0.9188 0.9215 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 -0.2750 -0.4783 -0.4333 -0.4286 -0.0881 0.1115 0.0742 -0.1308 -0.2709 -0.2735 -0.3044 0.4271 -0.0481 0.0588 -0.2213 -0.2513 -0.0660 -0.0301 -0.0658 -0.0706 -0.1385 -0.1345 0.3401 0.2757 0.1016 0.0941 0.1024 0.0753 0.0995 0.0893 0.0968 0.0988 0.1222 0.1313 0.1384 0.0889 0.0945 0.0931 0.0987 0.0943 0.0888 0.1016 0.0938 0.1024 0.0953 0.0812 0.0797 0.0812 0.0785 2.1106 2.0205 2.0745 2.0716 3.0993 3.6990 3.7166 3.8550 3.9055 3.9072 3.8483 4.1637 3.7637 3.9013 3.9222 3.9419 3.7014 3.6131 3.9147 3.9158 3.9175 3.9165 4.1654 4.1933 1.0234 1.0331 1.0023 1.0131 1.0043 1.0055 1.0020 1.0013 1.0097 1.0097 1.0176 1.0086 0.9961 0.9962 0.9967 0.9972 1.0111 1.0046 1.0157 1.0060 1.0156 1.0093 1.0067 1.0095 1.0065 2.1106 2.0205 2.0745 2.0716 3.0993 3.6990 3.7166 3.8550 3.9055 3.9072 3.8483 4.1637 3.7637 3.9013 3.9222 3.9419 3.7014 3.6131 3.9147 3.9158 3.9175 3.9165 4.1654 4.1933 1.0234 1.0331 1.0023 1.0131 1.0043 1.0055 1.0020 1.0013 1.0097 1.0097 1.0176 1.0086 0.9961 0.9962 0.9967 0.9972 1.0111 1.0046 1.0157 1.0060 1.0156 1.0093 1.0067 1.0095 1.0065 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.1698 0.8989 1.8893 1.9938 1.9945 0.9504 1.1066 1.1296 0.8623 0.8781 0.9512 0.9503 0.9266 0.9663 1.0068 1.0360 1.0059 0.9903 0.9780 0.9945 0.9891 0.9955 0.9897 1.8554 0.9759 0.9651 0.9724 0.9763 0.9843 1.0003 0.9811 0.9810 0.9825 0.9836 1.0022 1.7233 0.9784 0.9708 0.9737 0.9372 0.9287 0.9822 0.9997 0.9278 0.9817 1.0016 0.9258 1.0070 1.0067 1.0069 1.0067 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 -0.025096889 -1094.893650207055 12.90283 -14.16983 -1.26700 -20.87446 18.70360 -2.17086 11.92337 -10.88462 1.03875 2.71973 6.91301