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:-.584,2.0326,.9924;-.2184,-.0531,1.7145;2.7663,.5802,2.3547;1.1293,2.4069,-1.4725;1.7406,1.7621,.6533;-2.3322,-.3286,-.7216;-2.8291,-.9004,.5768;-2.2512,.4844,.5629;-1.0792,-.8992,-1.3379;-3.3379,.1428,-1.7403;-4.2768,-1.085,.8536;-.934,.7514,1.1668;-4.9524,-2.2169,.6389;.7178,2.4433,1.3862;-6.4087,-2.3318,.9696;-4.3314,-3.4503,.0599;3.3013,.1847,.0314;2.8164,.7113,-1.0937;4.3666,-.8439,.103;3.2327,.3283,-2.4638;5.0503,-.9609,-1.26;4.038,-.9709,-2.4036;2.6085,.8109,1.1827;1.7985,1.7266,-.7343;-2.1767,-1.6582,1.0024;-2.947,1.3159,.6157;-.3813,-1.2999,-.6043;-1.3408,-1.7154,-2.0141;-.5537,-.1444,-1.9276;-2.8924,.883,-2.4076;-3.6769,-.6942,-2.3549;-4.2174,.5945,-1.2822;-4.8127,-.2331,1.2625;.8869,2.2868,2.451;.7458,3.51,1.181;-6.5841,-3.1331,1.6922;-6.8102,-1.4088,1.3875;-6.9936,-2.5854,.0818;-4.3967,-4.2848,.7629;-4.8702,-3.7634,-.8378;-3.2847,-3.3201,-.2101;5.0879,-.588,.8824;3.9262,-1.8007,.4005;2.3567,.2151,-3.1073;3.8282,1.1356,-2.9018;5.7355,-.1188,-1.3909;5.6576,-1.8662,-1.2872;3.352,-1.8122,-2.272;4.5472,-1.1284,-3.355; 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 2146.0134792227 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 1.183e-05 Time for diagonalization 0.268 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.270 sec Total time needed 0.544 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:-.584,2.0326,.9924;-.2184,-.0531,1.7145;2.7663,.5802,2.3547;1.1293,2.4069,-1.4725;1.7406,1.7621,.6533;-2.3322,-.3286,-.7216;-2.8291,-.9004,.5768;-2.2512,.4844,.5629;-1.0792,-.8992,-1.3379;-3.3379,.1428,-1.7403;-4.2768,-1.085,.8536;-.934,.7514,1.1668;-4.9524,-2.2169,.6389;.7178,2.4433,1.3862;-6.4087,-2.3318,.9696;-4.3314,-3.4503,.0599;3.3013,.1847,.0314;2.8164,.7112,-1.0937;4.3666,-.8439,.103;3.2327,.3283,-2.4638;5.0503,-.9609,-1.26;4.038,-.9709,-2.4036;2.6085,.8109,1.1827;1.7985,1.7266,-.7343;-2.1767,-1.6582,1.0024;-2.947,1.3159,.6157;-.3813,-1.2999,-.6043;-1.3408,-1.7154,-2.0141;-.5537,-.1444,-1.9276;-2.8924,.883,-2.4076;-3.6769,-.6942,-2.3549;-4.2174,.5945,-1.2822;-4.8127,-.2331,1.2625;.8869,2.2868,2.451;.7458,3.51,1.181;-6.5841,-3.1331,1.6922;-6.8102,-1.4088,1.3875;-6.9936,-2.5854,.0818;-4.3967,-4.2848,.7629;-4.8702,-3.7634,-.8378;-3.2847,-3.3201,-.2101;5.0879,-.588,.8824;3.9262,-1.8007,.4005;2.3567,.2151,-3.1073;3.8282,1.1356,-2.9018;5.7355,-.1188,-1.3909;5.6576,-1.8662,-1.2872;3.352,-1.8122,-2.272;4.5472,-1.1284,-3.355; 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:-.584,2.0326,.9924;-.2184,-.0531,1.7145;2.7663,.5802,2.3547;1.1293,2.4069,-1.4725;1.7406,1.7621,.6533;-2.3322,-.3286,-.7216;-2.8291,-.9004,.5768;-2.2512,.4844,.5629;-1.0792,-.8992,-1.3379;-3.3379,.1428,-1.7403;-4.2768,-1.085,.8536;-.934,.7514,1.1668;-4.9524,-2.2169,.6389;.7178,2.4433,1.3862;-6.4087,-2.3318,.9696;-4.3314,-3.4503,.0599;3.3013,.1847,.0314;2.8164,.7113,-1.0937;4.3666,-.8439,.103;3.2327,.3283,-2.4638;5.0503,-.9609,-1.26;4.038,-.9709,-2.4036;2.6085,.8109,1.1827;1.7985,1.7266,-.7343;-2.1767,-1.6582,1.0024;-2.947,1.3159,.6157;-.3813,-1.2999,-.6043;-1.3408,-1.7154,-2.0141;-.5537,-.1444,-1.9276;-2.8924,.883,-2.4076;-3.6769,-.6942,-2.3549;-4.2174,.5945,-1.2822;-4.8127,-.2331,1.2625;.8869,2.2868,2.451;.7458,3.51,1.181;-6.5841,-3.1331,1.6922;-6.8102,-1.4088,1.3875;-6.9936,-2.5854,.0818;-4.3967,-4.2848,.7629;-4.8702,-3.7634,-.8378;-3.2847,-3.3201,-.2101;5.0879,-.588,.8824;3.9262,-1.8007,.4005;2.3567,.2151,-3.1073;3.8282,1.1356,-2.9018;5.7355,-.1188,-1.3909;5.6576,-1.8662,-1.2872;3.352,-1.8122,-2.272;4.5472,-1.1284,-3.355; 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 2908 GEPOL Volume 2271.2125 GEPOL Surface-area 1338.2962 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.86785194 2146.01347922 -3240.88133116 -5754.61333529 2513.73200413 -0.03954708 -2184.91995920 1090.05210726 2.00441790 89.000289862968 89.000289862968 178.000579725936 -105.975659742870 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 -524.9259 -523.6488 -523.6338 -523.2914 -393.9540 -283.5487 -283.3701 -283.3692 -282.4183 -280.4559 -280.4320 -280.3052 -279.9744 -279.8263 -279.7355 -279.7268 -279.7148 -279.4131 -279.4071 -279.2403 -279.1766 -279.1535 -279.1385 -279.1287 -33.9748 -32.8963 -32.4150 -31.3701 -29.7653 -27.3904 -26.7979 -25.1476 -24.8697 -23.8529 -23.4786 -23.0273 -22.0394 -21.8005 -21.7147 -21.3259 -20.9941 -20.0722 -19.7504 -18.9135 -18.1699 -18.0294 -17.6485 -17.3752 -17.0800 -16.5785 -16.3087 -16.1998 -15.8873 -15.7405 -15.4116 -15.1549 -15.0714 -14.8586 -14.7692 -14.6119 -14.4672 -14.3568 -14.1806 -13.9721 -13.9482 -13.8787 -13.5196 -13.4347 -13.2009 -13.0528 -12.8977 -12.8575 -12.8027 -12.4660 -12.3183 -12.0247 -11.8656 -11.6111 -11.4795 -11.4385 -11.3958 -10.9585 -10.7917 -10.6748 -10.5358 -10.2796 -10.0947 -9.6110 -8.5564 -0.4429 2.0086 2.5269 2.9066 3.1289 3.3233 3.8228 3.9859 4.0411 4.1790 4.2694 4.3685 4.4922 4.6924 4.7493 4.8840 5.0340 5.0967 5.1824 5.3586 5.4268 5.5410 5.6370 5.6781 5.7476 5.9876 6.0015 6.1684 6.2529 6.3374 6.5058 6.5764 6.6097 6.6901 6.7333 6.8793 7.0602 7.1380 7.3118 7.3508 7.4092 7.5145 7.6232 7.7330 7.7728 7.8736 8.1139 8.1429 8.1801 8.2671 8.5770 8.7668 8.7847 9.0176 9.0577 9.1645 9.3264 9.4979 9.5868 9.6064 9.6786 9.9406 10.0719 10.2622 10.3734 10.5739 10.7076 10.7492 10.8232 10.8825 10.9487 11.1394 11.1676 11.3244 11.5111 11.6325 11.8069 11.9680 12.0428 12.3190 12.3763 12.5695 12.7348 12.8054 12.9542 13.0983 13.1116 13.1774 13.2693 13.3145 13.4773 13.5149 13.5811 13.6729 13.7137 13.8460 13.8633 14.0629 14.1622 14.2306 14.2705 14.3919 14.4560 14.5203 14.5966 14.6589 14.7895 14.9081 14.9206 14.9748 15.0768 15.1322 15.2585 15.4346 15.4833 15.5442 15.5635 15.7122 15.7131 15.7940 15.8766 15.8983 15.9616 16.0831 16.2172 16.3696 16.5722 16.6369 16.8154 16.9968 17.0305 17.1619 17.2537 17.3557 17.4365 17.5397 17.6738 17.7754 17.9211 18.0281 18.2666 18.5178 18.6570 18.7674 18.9192 19.0659 19.1930 19.4134 19.5651 19.5939 19.7560 19.8613 19.9565 20.4166 20.6535 20.6705 20.8698 21.0176 21.1605 21.4293 21.6246 21.8148 21.9694 22.0351 22.1200 22.4586 22.6032 22.6815 22.9999 23.0098 23.0662 23.2361 23.4193 23.4299 23.8375 23.9764 24.1515 24.2875 24.3322 24.3799 24.6158 24.8476 24.9458 25.1202 25.3513 25.4882 25.6031 25.7327 26.0034 26.2773 26.2890 26.4048 26.5199 26.8076 26.9416 27.1106 27.4116 27.4992 27.8153 27.8846 28.0922 28.2241 28.4049 28.5195 28.5812 28.6461 28.7681 28.9218 29.0845 29.2223 29.3134 29.3408 29.4376 29.6816 29.7890 29.9544 30.0076 30.1941 30.2414 30.3785 30.4871 30.5876 30.8086 30.9816 31.1595 31.3150 31.4760 31.5901 31.6958 31.7216 31.8899 32.1825 32.2228 32.3390 32.5431 32.5627 32.7059 32.9077 32.9959 33.0798 33.1639 33.4128 33.4361 33.4799 33.6790 33.7157 33.8869 34.0390 34.0967 34.2099 34.3648 34.7273 34.8071 34.8499 35.0537 35.1022 35.2570 35.4424 35.5093 35.7285 35.8132 36.2381 36.3206 36.4573 36.4740 36.7908 36.8268 37.0451 37.2865 37.4019 37.5336 37.6797 37.8654 38.0159 38.0648 38.1729 38.3073 38.5011 38.6007 38.7737 38.8166 39.1884 39.2201 39.5335 39.6622 39.9073 40.0097 40.0576 40.1911 40.5187 40.6218 40.6934 40.7656 41.0603 41.1324 41.4172 41.5942 41.5980 41.8268 41.8432 42.0338 42.1905 42.3622 42.4484 42.5153 42.6076 42.7604 42.7938 42.8998 42.9988 43.1537 43.2813 43.3582 43.4550 43.5556 43.7251 43.8851 44.0164 44.1602 44.2379 44.5330 44.5780 44.6555 44.6921 44.8305 44.9162 45.2742 45.4011 45.5574 45.6197 45.8738 46.0442 46.0615 46.3832 46.5747 46.6563 46.8986 46.9580 47.1008 47.1909 47.2964 47.5300 47.6055 47.7364 47.7974 47.9690 48.2348 48.3300 48.4898 48.6069 48.7721 49.0214 49.2017 49.3958 49.5539 49.8087 50.0092 50.1766 50.4610 50.6947 50.8509 51.3493 51.5141 51.7830 51.8800 52.1488 52.3325 52.8106 52.8604 53.2050 53.4279 53.5362 53.8522 54.0622 54.3196 54.6701 55.1010 55.2517 55.5292 55.9217 56.4187 56.5371 56.9553 57.0551 57.2509 57.4345 57.8276 58.0652 58.2902 58.5863 58.8925 59.1641 59.4938 59.6844 60.1819 60.2752 60.4045 60.6539 60.7364 60.9052 61.0497 61.2212 61.6486 61.7934 62.0095 62.3783 62.5293 62.9373 63.0329 63.1695 63.3207 63.7465 63.8397 63.9754 64.2286 64.8224 65.0651 65.5299 65.8014 66.1812 66.4878 66.6029 67.0289 67.3445 67.7422 67.7758 68.0103 68.3002 68.5197 68.7853 68.9853 69.2570 69.6590 69.8740 70.3053 70.5339 70.7260 70.9558 70.9907 71.1040 71.5639 71.6075 71.7980 71.9911 72.2883 72.3405 72.7688 72.9708 73.1221 73.3293 73.3933 73.5490 73.7524 73.8822 74.0427 74.5701 74.7556 75.0071 75.1388 75.2852 75.3955 75.4746 75.5335 75.7849 75.9740 76.2691 76.4712 76.5969 76.8786 77.0343 77.2397 77.2686 77.5581 78.0119 78.0765 78.2866 78.3003 78.5325 78.7035 78.8062 79.0386 79.1654 79.2857 79.3558 79.5320 79.7822 79.8552 79.9438 80.2531 80.4168 80.4897 80.6842 80.9324 80.9524 81.0577 81.2665 81.4093 81.4282 81.6316 81.7874 81.8638 81.9992 82.2359 82.3705 82.4300 82.8049 83.0043 83.0400 83.1994 83.2969 83.6020 83.6936 83.8267 83.8655 83.9980 84.1330 84.2428 84.3715 84.6693 84.7512 84.8623 85.0290 85.1441 85.3346 85.4381 85.5834 85.6270 85.6843 85.8460 86.0865 86.1786 86.2077 86.4338 86.6047 86.7785 86.9659 86.9899 87.2503 87.2961 87.3656 87.5612 87.6408 87.8851 87.9700 88.0669 88.1737 88.2473 88.4601 88.6286 88.7719 88.9017 88.9286 89.0457 89.3488 89.5685 89.7232 89.7691 89.8634 89.9877 90.3161 90.3464 90.5583 90.6555 90.7606 90.9318 91.0394 91.1987 91.3665 91.4544 91.5354 91.8190 92.0187 92.0510 92.0678 92.4210 92.5167 92.6875 92.7638 92.8632 93.1079 93.2109 93.2913 93.4109 93.5829 93.6646 93.8737 94.2456 94.3453 94.4801 94.5366 94.6064 94.6997 94.9165 94.9285 95.0930 95.1739 95.3115 95.3376 95.5357 95.6341 95.7043 95.8673 96.0547 96.1658 96.3720 96.6007 96.6504 96.9283 96.9968 97.0900 97.1177 97.3104 97.4369 97.6376 97.9705 98.0840 98.1538 98.1962 98.3395 98.4815 98.7639 98.7984 99.0125 99.2604 99.4407 99.5568 99.6305 99.8977 99.9703 100.3019 100.3868 100.5217 100.6574 100.8200 100.8974 100.9194 101.3644 101.5408 101.6220 101.7990 102.0263 102.1581 102.3516 102.3838 102.4982 102.7090 102.9467 103.1841 103.3948 103.5765 103.6772 103.7572 103.9207 104.1877 104.2180 104.3152 104.5489 104.6049 104.6793 105.0287 105.0438 105.4068 105.5746 105.8444 106.0035 106.1713 106.4001 106.7103 106.9329 107.0695 107.1564 107.3427 107.4303 107.6429 108.0561 108.1072 108.3844 108.5551 108.7571 108.8633 108.9823 109.0582 109.2627 109.4380 109.6152 109.7247 109.9050 110.1500 110.2181 110.3185 110.3755 110.5074 110.6781 110.8245 111.0016 111.1103 111.1955 111.5026 111.5448 111.6383 111.8058 111.9940 112.1675 112.3265 112.5714 112.8788 113.0586 113.2065 113.4055 113.4751 113.8314 113.9420 113.9832 114.0759 114.1374 114.3615 114.4474 114.6638 114.7407 114.8327 114.9447 115.0772 115.1426 115.2595 115.3239 115.3709 115.6303 116.0132 116.1288 116.2924 116.3437 116.5251 116.6800 116.8407 116.9306 117.0511 117.2312 117.2877 117.4707 117.6003 117.7210 117.8005 117.8913 118.0549 118.2102 118.5371 118.6303 118.8010 118.9052 119.1389 119.2563 119.3447 119.4525 119.9038 120.1826 120.3376 120.6173 120.6947 120.8752 121.1006 121.2300 121.4161 121.6761 121.9561 122.2666 122.3908 122.4645 122.6689 122.9402 123.0752 123.2539 123.5319 123.9104 123.9908 124.3379 124.4826 124.5319 124.8903 125.0457 125.2470 125.6648 125.9282 126.2443 126.2666 126.4386 126.5518 126.6918 126.8388 127.0383 127.7641 127.7877 128.0352 128.3129 128.4045 128.7930 129.1512 129.3183 129.4379 129.6943 129.8349 129.9322 130.0791 130.3346 130.4606 130.5417 130.6159 130.7495 131.3052 131.5073 131.7964 131.9101 131.9347 132.3454 132.4674 132.7361 132.8256 133.7558 133.8548 134.0447 134.3774 134.5345 134.5558 134.7629 134.9959 135.2731 135.5170 135.7833 135.9238 136.0522 136.3552 136.3728 137.0189 137.7475 137.8367 138.1517 138.5408 138.8758 139.0607 139.4539 139.4968 139.7041 139.8050 140.0382 140.2406 140.4478 140.6068 140.9113 141.0607 141.5319 141.6689 141.9213 142.2076 142.4926 142.5640 142.8266 143.1229 143.2774 143.4039 143.5416 143.8671 144.1181 144.2745 144.4621 144.6197 144.7938 145.0619 145.3938 145.4602 145.6214 145.7373 145.9086 145.9528 146.1119 146.2714 146.4534 146.8394 147.0786 147.3306 147.5043 147.7727 148.0760 148.1819 148.2453 148.4161 148.5608 148.7609 149.0622 149.2302 149.4488 149.5831 149.8452 150.0467 150.2238 150.4149 150.4928 150.7587 150.8370 151.1124 151.3177 151.3877 151.4420 151.6242 151.8822 152.4752 152.5141 152.7600 152.9084 153.0669 153.3608 153.7995 154.2363 154.3708 154.6749 154.7204 155.0043 155.0416 155.3190 155.7507 155.9523 156.4097 156.5373 156.5593 156.7086 156.8260 157.4777 157.6527 157.9700 158.0204 158.1225 158.1889 158.9453 159.2851 159.5432 159.6671 160.0287 160.1616 160.2533 160.2920 160.5002 160.9570 161.1947 161.4792 161.9131 163.0478 164.1626 166.0951 166.3356 167.3326 168.9016 169.6374 171.5853 171.6933 172.6639 173.2846 175.7115 175.7926 175.8877 176.4962 178.4264 179.3746 180.2861 181.7290 181.8520 182.1491 185.8516 186.8252 187.4891 187.8096 188.6047 189.2319 191.9052 192.3774 193.0997 195.5046 196.2677 196.5134 196.5951 198.9556 199.2558 204.3623 206.3080 618.7980 622.5726 627.8735 630.9432 636.0412 638.6045 639.8110 640.0929 641.3786 642.5201 642.7970 643.1831 643.7911 645.0105 646.9736 648.3394 650.1710 650.9921 651.1390 902.1727 1199.4753 1200.4744 1201.8384 1210.1469 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 -0.278703 -0.473807 -0.428812 -0.433273 -0.101393 0.148492 -0.022004 -0.125294 -0.296550 -0.277297 -0.265451 0.413230 -0.037978 0.084844 -0.229684 -0.249159 -0.031619 -0.088304 -0.069365 -0.077795 -0.136708 -0.133702 0.314602 0.319268 0.100813 0.102621 0.092687 0.105531 0.094858 0.101391 0.098423 0.093575 0.123617 0.135921 0.146091 0.094957 0.089702 0.094435 0.102095 0.096749 0.087262 0.094084 0.102640 0.094850 0.104822 0.078221 0.081007 0.079106 0.081005 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 8.2787 8.4738 8.4288 8.4333 7.1014 5.8515 6.0220 6.1253 6.2966 6.2773 6.2655 5.5868 6.0380 5.9152 6.2297 6.2492 6.0316 6.0883 6.0694 6.0778 6.1367 6.1337 5.6854 5.6807 0.8992 0.8974 0.9073 0.8945 0.9051 0.8986 0.9016 0.9064 0.8764 0.8641 0.8539 0.9050 0.9103 0.9056 0.8979 0.9033 0.9127 0.9059 0.8974 0.9051 0.8952 0.9218 0.9190 0.9209 0.9190 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 -0.2787 -0.4738 -0.4288 -0.4333 -0.1014 0.1485 -0.0220 -0.1253 -0.2966 -0.2773 -0.2655 0.4132 -0.0380 0.0848 -0.2297 -0.2492 -0.0316 -0.0883 -0.0694 -0.0778 -0.1367 -0.1337 0.3146 0.3193 0.1008 0.1026 0.0927 0.1055 0.0949 0.1014 0.0984 0.0936 0.1236 0.1359 0.1461 0.0950 0.0897 0.0944 0.1021 0.0967 0.0873 0.0941 0.1026 0.0949 0.1048 0.0782 0.0810 0.0791 0.0810 2.1121 2.0341 2.0797 2.0677 3.0808 3.6792 3.8162 3.8363 3.8975 3.8993 3.8542 4.2096 3.7055 3.8864 3.9275 3.9361 3.6341 3.7092 3.9073 3.9168 3.9189 3.9129 4.1960 4.1636 1.0232 1.0320 1.0130 1.0022 1.0083 1.0032 1.0005 1.0018 1.0060 1.0137 0.9921 0.9951 1.0073 0.9963 0.9983 0.9977 1.0081 1.0153 1.0053 1.0137 1.0049 1.0064 1.0093 1.0075 1.0095 2.1121 2.0341 2.0797 2.0677 3.0808 3.6792 3.8162 3.8363 3.8975 3.8993 3.8542 4.2096 3.7055 3.8864 3.9275 3.9361 3.6341 3.7092 3.9073 3.9168 3.9189 3.9129 4.1960 4.1636 1.0232 1.0320 1.0130 1.0022 1.0083 1.0032 1.0005 1.0018 1.0060 1.0137 0.9921 0.9951 1.0073 0.9963 0.9983 0.9977 1.0081 1.0153 1.0053 1.0137 1.0049 1.0064 1.0093 1.0075 1.0095 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 1.1674 0.8940 1.9069 2.0136 1.9902 0.9188 1.1277 1.0994 0.9120 0.8713 0.9346 0.9246 0.9630 0.9386 0.9958 1.0285 1.0007 0.9860 0.9889 0.9945 0.9899 0.9938 0.9892 1.8468 1.0011 0.9676 0.9646 0.9853 0.9721 0.9801 0.9999 0.9822 0.9836 0.9821 1.0031 1.7313 0.9780 0.9383 0.9822 0.9580 0.9276 0.9992 0.9827 0.9278 0.9983 0.9825 0.9259 1.0063 1.0072 1.0072 1.0075 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 -0.025637824 -1094.893489762549 -18.26508 18.51422 0.24915 -20.58023 20.00220 -0.57803 -13.40231 11.77406 -1.62825 1.74568 4.43717