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:-.4437,1.7807,.2595;-1.5111,1.7613,-1.7173;2.848,1.9733,1.7051;1.1296,-.0739,-1.9691;1.7836,1.2835,-.2236;-4.0315,1.1678,.0616;-3.5066,-.1036,-.504;-2.5542,.83,.2237;-4.4797,2.264,-.8723;-4.8305,1.1196,1.3416;-3.8402,-1.4274,.0822;-1.4912,1.4978,-.5382;-2.981,-2.4332,.2654;.7599,2.2747,-.3116;-3.4273,-3.7362,.8547;-1.525,-2.358,-.0788;3.4656,-.0751,.573;2.944,-.6896,-.4901;4.6145,-.5735,1.3668;3.3946,-1.9945,-1.0307;5.3159,-1.6907,.593;4.3168,-2.6734,-.0158;2.71,1.1786,.8093;1.8475,.1503,-1.0258;-3.3815,-.0923,-1.5846;-2.2653,.528,1.2237;-4.3142,3.2487,-.4315;-3.9828,2.2374,-1.839;-5.5512,2.1644,-1.0562;-5.884,.929,1.127;-4.4836,.3424,2.0228;-4.7679,2.0738,1.8675;-4.8797,-1.5812,.3598;1.0657,3.1438,.2654;.6231,2.5745,-1.3477;-3.2666,-4.5585,.1529;-2.85,-3.9785,1.7507;-4.4828,-3.7248,1.1257;-.9138,-2.3703,.828;-1.225,-3.2323,-.6614;-1.2571,-1.4712,-.6499;5.3062,.2435,1.5863;4.257,-.9371,2.3356;2.5328,-2.6258,-1.2607;3.9139,-1.833,-1.9808;5.9214,-1.2497,-.2038;6.0036,-2.2166,1.2559;3.7116,-3.1131,.7817;4.8458,-3.4959,-.4981; 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 2123.8268335044 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 1.419e-05 Time for diagonalization 0.249 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.238 sec Total time needed 0.494 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:-.4437,1.7807,.2595;-1.5111,1.7613,-1.7173;2.848,1.9733,1.7051;1.1296,-.0739,-1.9691;1.7836,1.2835,-.2236;-4.0315,1.1678,.0616;-3.5066,-.1036,-.504;-2.5542,.83,.2237;-4.4797,2.264,-.8723;-4.8305,1.1196,1.3416;-3.8402,-1.4274,.0822;-1.4912,1.4978,-.5382;-2.981,-2.4332,.2654;.7599,2.2747,-.3116;-3.4273,-3.7362,.8547;-1.525,-2.358,-.0788;3.4656,-.0751,.573;2.944,-.6896,-.4901;4.6145,-.5735,1.3668;3.3946,-1.9945,-1.0307;5.3159,-1.6907,.593;4.3168,-2.6734,-.0158;2.71,1.1786,.8093;1.8475,.1503,-1.0258;-3.3815,-.0923,-1.5846;-2.2653,.528,1.2237;-4.3142,3.2487,-.4315;-3.9828,2.2374,-1.839;-5.5512,2.1644,-1.0562;-5.884,.929,1.127;-4.4836,.3424,2.0228;-4.7679,2.0738,1.8675;-4.8797,-1.5812,.3598;1.0657,3.1438,.2654;.6231,2.5745,-1.3477;-3.2666,-4.5585,.1529;-2.85,-3.9785,1.7507;-4.4828,-3.7248,1.1257;-.9138,-2.3703,.828;-1.225,-3.2323,-.6614;-1.2571,-1.4712,-.6499;5.3062,.2435,1.5863;4.257,-.9371,2.3356;2.5328,-2.6258,-1.2607;3.9139,-1.833,-1.9808;5.9214,-1.2497,-.2038;6.0036,-2.2166,1.2559;3.7116,-3.1131,.7817;4.8458,-3.4959,-.4981; 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:-.4437,1.7807,.2595;-1.5111,1.7613,-1.7173;2.848,1.9733,1.7051;1.1296,-.0739,-1.9691;1.7836,1.2835,-.2236;-4.0315,1.1678,.0616;-3.5066,-.1036,-.504;-2.5542,.83,.2237;-4.4797,2.264,-.8723;-4.8305,1.1196,1.3416;-3.8402,-1.4274,.0822;-1.4912,1.4978,-.5382;-2.981,-2.4332,.2654;.7599,2.2747,-.3116;-3.4273,-3.7362,.8547;-1.525,-2.358,-.0788;3.4656,-.0751,.573;2.944,-.6896,-.4901;4.6145,-.5735,1.3668;3.3946,-1.9945,-1.0307;5.3159,-1.6907,.593;4.3168,-2.6734,-.0158;2.71,1.1786,.8093;1.8475,.1503,-1.0258;-3.3815,-.0923,-1.5846;-2.2653,.528,1.2237;-4.3142,3.2487,-.4315;-3.9828,2.2374,-1.839;-5.5512,2.1644,-1.0562;-5.884,.929,1.127;-4.4836,.3424,2.0228;-4.7679,2.0738,1.8675;-4.8797,-1.5812,.3598;1.0657,3.1438,.2654;.6231,2.5745,-1.3477;-3.2666,-4.5585,.1529;-2.85,-3.9785,1.7507;-4.4828,-3.7248,1.1257;-.9138,-2.3703,.828;-1.225,-3.2323,-.6614;-1.2571,-1.4712,-.6499;5.3062,.2435,1.5863;4.257,-.9371,2.3356;2.5328,-2.6258,-1.2607;3.9139,-1.833,-1.9808;5.9214,-1.2497,-.2038;6.0036,-2.2166,1.2559;3.7116,-3.1131,.7817;4.8458,-3.4959,-.4981; 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 2919 GEPOL Volume 2270.6231 GEPOL Surface-area 1341.2002 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.5s -1094.86836658 2123.82683350 -3218.69520008 -5710.01633010 2491.32113002 -0.03896342 -2184.90230474 1090.03393816 2.00443512 89.000038355255 89.000038355255 178.000076710510 -105.972581856144 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 -524.8518 -523.6612 -523.6590 -523.1786 -393.9540 -283.5209 -283.3902 -283.3710 -282.3309 -280.4648 -280.4403 -280.2886 -279.9673 -279.9132 -279.7685 -279.7385 -279.7348 -279.4166 -279.4110 -279.2433 -279.1594 -279.1436 -279.1350 -279.1241 -33.8090 -32.9219 -32.4252 -31.3165 -29.7552 -27.3761 -26.8086 -25.1427 -24.8926 -23.8553 -23.4711 -22.9513 -22.0597 -21.7685 -21.7384 -21.3222 -20.9514 -20.0723 -19.7415 -18.8297 -18.2658 -18.0744 -17.8502 -17.1222 -16.9122 -16.5661 -16.5200 -16.1501 -15.9039 -15.6738 -15.3908 -15.2588 -15.0903 -15.0297 -14.6300 -14.6031 -14.4652 -14.3075 -14.0781 -13.9715 -13.9422 -13.8424 -13.5479 -13.4583 -13.1114 -13.0711 -12.8767 -12.8298 -12.6955 -12.4696 -12.3357 -12.0206 -11.7938 -11.6154 -11.5356 -11.4838 -11.4043 -10.9363 -10.8281 -10.6226 -10.3676 -10.2673 -10.0543 -9.6306 -8.7187 -0.4496 1.8709 2.7395 2.9369 3.1558 3.4359 3.7863 3.9379 4.0822 4.2304 4.2886 4.3285 4.4752 4.7462 4.8018 4.9266 5.0451 5.1313 5.2136 5.2528 5.3540 5.4537 5.5749 5.6879 5.7318 5.8069 5.9442 6.0883 6.2667 6.3441 6.4366 6.4865 6.5254 6.6719 6.7990 6.8789 6.9335 7.0339 7.1959 7.2942 7.3799 7.5042 7.6388 7.7525 7.8695 7.9857 8.0253 8.0788 8.1597 8.3610 8.6364 8.6526 8.7378 8.8275 9.0283 9.2236 9.3446 9.5063 9.5664 9.6160 9.8092 9.9448 10.1637 10.2587 10.3443 10.3629 10.4930 10.6587 10.7959 10.8865 10.9792 11.1191 11.2199 11.3197 11.5410 11.7320 11.9553 12.0634 12.1137 12.2538 12.3359 12.4450 12.5661 12.6803 12.8041 12.8923 13.0286 13.1549 13.1930 13.3638 13.4339 13.5626 13.5840 13.6343 13.6743 13.8369 13.8827 14.0328 14.0755 14.1762 14.2232 14.3006 14.3564 14.4719 14.6111 14.6534 14.7139 14.7944 14.8016 14.8264 15.0374 15.1494 15.2720 15.2905 15.3483 15.4732 15.5265 15.5950 15.6462 15.7169 15.7362 15.9111 15.9180 16.0954 16.2127 16.2986 16.5324 16.6384 16.7149 16.8302 16.9355 17.0506 17.2304 17.2915 17.4042 17.4744 17.6146 17.7727 17.8894 18.0235 18.1662 18.2562 18.3335 18.5709 18.8283 18.9643 19.1331 19.2824 19.5017 19.7141 19.7383 19.9252 20.1324 20.1951 20.4423 20.5588 20.7312 20.9335 21.1725 21.2606 21.5053 21.5427 21.9246 22.0014 22.0912 22.2945 22.4679 22.6495 22.7164 22.7727 23.0615 23.2295 23.2560 23.5283 23.5840 23.7427 23.9048 24.0697 24.2915 24.3490 24.4456 24.6755 25.0909 25.1664 25.2456 25.3312 25.4025 25.6642 25.7785 26.0342 26.1617 26.3005 26.3601 26.5948 26.7309 27.0040 27.0630 27.2652 27.6072 27.7130 27.8453 28.1305 28.2817 28.3554 28.4557 28.5509 28.6214 28.8616 28.9605 29.1444 29.2540 29.3216 29.4331 29.6333 29.6777 29.8459 30.0817 30.2654 30.3235 30.4139 30.5757 30.7062 30.7602 30.8152 30.9537 31.1321 31.1936 31.2859 31.3578 31.4866 31.7173 31.9802 32.1284 32.2301 32.3583 32.5579 32.6197 32.7407 32.8545 32.9871 33.2545 33.2794 33.4418 33.5309 33.6143 33.7555 33.8613 33.9182 33.9368 34.0994 34.2419 34.3912 34.5367 34.6404 34.7128 35.0135 35.2027 35.5308 35.6729 35.8071 35.8976 36.0448 36.1665 36.3475 36.5002 36.5721 36.7385 36.8131 36.9839 37.1639 37.2328 37.4611 37.5701 37.7747 37.8832 37.9140 38.2572 38.4694 38.6851 38.7394 38.9467 39.1862 39.2246 39.4004 39.6858 39.7855 39.9264 40.0694 40.1959 40.5090 40.5485 40.6798 40.7155 41.0026 41.1321 41.3212 41.4481 41.6063 41.6805 41.9204 41.9914 42.0150 42.2957 42.3184 42.4080 42.6772 42.7049 42.8283 42.8728 43.0064 43.1820 43.2194 43.3734 43.4248 43.5397 43.6901 43.7939 43.8760 43.9579 44.0348 44.2370 44.5390 44.6599 44.7308 44.8438 44.8823 44.9628 44.9984 45.1048 45.5261 45.8159 46.0270 46.2259 46.4343 46.5354 46.5649 46.6615 46.7197 46.8975 47.0380 47.1620 47.2873 47.3924 47.4948 47.7917 47.8261 47.8835 48.0609 48.1462 48.2122 48.4819 48.5750 48.7153 49.0326 49.1913 49.6234 49.7980 49.9938 50.1811 50.4319 50.7674 50.8154 51.1062 51.5237 51.8185 51.8866 52.1654 52.4398 52.5004 52.9269 53.3586 53.5493 53.7062 54.0131 54.2792 54.4638 54.6302 54.9915 55.4408 55.7585 56.1422 56.4742 56.6946 56.7660 56.8856 57.2581 57.3998 57.6338 57.9528 58.4967 58.5539 58.9082 59.1362 59.3190 59.8008 59.9226 60.0314 60.7142 60.7404 60.8662 61.3137 61.6371 61.9720 62.0939 62.2184 62.5206 62.5752 62.9616 63.0589 63.0877 63.2227 63.3496 63.5045 64.0833 64.4747 64.9328 65.0764 65.2413 65.5483 65.8857 66.2665 66.5900 66.7386 67.3815 67.6275 67.8119 67.8317 68.1485 68.2331 68.5814 68.8698 69.1838 69.5306 69.8215 70.3745 70.5560 70.5960 70.7881 70.9362 71.2364 71.3807 71.4130 71.8153 71.8789 72.0545 72.3273 72.5322 72.7387 72.9426 73.2350 73.3331 73.4023 73.6054 74.0047 74.1260 74.2466 74.6528 74.8342 75.0689 75.1501 75.4244 75.4879 75.5338 75.6719 75.9242 76.0312 76.4326 76.6877 76.7855 77.1155 77.3208 77.4426 77.6158 77.7667 78.1073 78.1882 78.3368 78.6271 78.9057 78.9501 79.0495 79.0828 79.2202 79.3010 79.3962 79.5302 79.7241 79.8168 79.9892 80.1038 80.3615 80.6190 80.8031 80.8722 80.9855 81.3126 81.4057 81.5771 81.6114 81.7566 81.7886 81.8992 82.0184 82.1309 82.2716 82.4428 82.5589 83.0277 83.1050 83.2563 83.3106 83.6100 83.7312 83.7665 84.1221 84.1824 84.2232 84.3193 84.5760 84.6740 84.9395 85.1410 85.2602 85.3192 85.3802 85.5203 85.6651 85.7247 85.8373 85.8919 86.1408 86.1913 86.4069 86.5021 86.5289 86.5697 86.7811 86.9890 87.0067 87.1170 87.2333 87.4731 87.7023 87.7669 87.9898 88.0915 88.2619 88.5395 88.6556 88.7981 88.8504 88.8959 89.0753 89.2284 89.2894 89.5118 89.6404 89.7693 90.0466 90.1216 90.1858 90.2692 90.3374 90.5780 90.7489 90.8633 91.0777 91.2034 91.2456 91.5263 91.6359 91.7639 91.9212 92.0378 92.0757 92.3224 92.4543 92.5009 92.7820 92.8764 93.0752 93.2600 93.3368 93.6487 93.6706 93.8270 93.8678 93.9833 94.2021 94.4063 94.4890 94.6405 94.7186 94.7614 94.9007 95.1236 95.2916 95.4547 95.5578 95.5997 95.8085 95.8902 96.1537 96.3644 96.5947 96.6464 96.7101 96.9943 97.2372 97.2831 97.4005 97.5822 97.7195 97.8333 98.0059 98.1120 98.1969 98.2940 98.3796 98.6289 98.6373 98.7670 99.1610 99.3182 99.6480 99.7527 99.7889 99.9203 99.9448 100.0799 100.1110 100.3654 100.5035 100.7623 100.8514 101.0424 101.2403 101.4908 101.6473 101.8015 102.0621 102.1073 102.1575 102.5157 102.6764 102.7982 102.9213 103.0424 103.1820 103.2772 103.5740 103.6792 103.7507 103.9929 104.1212 104.2112 104.5478 104.6477 104.8414 104.9709 105.1563 105.2290 105.5739 105.8121 105.9605 106.1783 106.3295 106.7329 106.7621 106.9999 107.0889 107.3037 107.3630 107.3942 107.6200 107.8086 108.4384 108.4842 108.5853 108.7593 108.8646 109.0497 109.1679 109.2206 109.5468 109.5797 109.8452 110.0803 110.1232 110.2886 110.4214 110.4564 110.6644 110.8386 110.9584 111.0548 111.2262 111.3801 111.6418 111.8158 111.9485 111.9816 112.1110 112.2059 112.3459 112.4233 112.6556 112.9608 113.1819 113.2651 113.3821 113.5765 113.8412 114.0069 114.1118 114.1542 114.4844 114.6230 114.6427 114.8492 115.0318 115.1826 115.1980 115.2669 115.3243 115.4155 115.5693 115.7060 115.8707 115.9421 116.0655 116.2344 116.4579 116.5760 116.7271 116.8467 116.9810 117.2211 117.3459 117.4357 117.5101 117.8284 117.8857 118.0002 118.1362 118.2415 118.4659 118.6402 118.8793 118.9263 118.9974 119.3337 119.5481 119.7427 119.9705 120.2391 120.3534 120.5944 120.7522 121.0015 121.2611 121.4386 121.6359 122.1934 122.2879 122.3976 122.4805 122.6507 122.8892 123.0918 123.1783 123.6978 123.9777 124.0905 124.2645 124.3967 124.5425 125.0565 125.1589 125.4453 125.5979 125.7644 125.9138 126.2733 126.3143 126.7928 126.9694 127.1277 127.1971 127.5456 127.7452 127.9808 128.1837 128.5249 128.9006 129.0066 129.1999 129.3999 129.4349 129.6736 129.9565 130.1345 130.2521 130.4302 130.5534 130.8642 130.9825 131.3553 131.4901 131.6827 131.8038 131.8522 132.3230 132.5663 132.8196 133.3560 133.6022 133.8645 133.9602 134.1162 134.3215 134.4829 134.5874 134.8675 135.0421 135.2572 135.5165 135.7956 136.0243 136.2654 136.9739 137.1227 137.5693 137.7812 137.9162 138.3512 138.8356 138.9595 139.1528 139.3140 139.4314 139.8070 139.9448 140.1059 140.4484 140.7834 140.8738 141.0856 141.3754 141.5727 141.7806 142.1619 142.3032 142.6182 142.8475 142.9368 143.1179 143.3850 143.4577 143.6389 143.9710 144.0226 144.2827 144.4494 144.6658 144.6921 145.1047 145.2773 145.5545 145.6336 145.7076 145.9284 146.0852 146.2338 146.3789 146.8035 146.8952 147.0263 147.3534 147.7560 147.9120 148.2261 148.3644 148.6790 148.8919 148.9952 149.2184 149.4513 149.7496 149.8648 149.9511 150.0582 150.2677 150.5085 150.6233 150.8040 151.0192 151.0884 151.2317 151.4255 151.5016 151.6497 151.9299 152.1980 152.5778 152.6406 152.8630 152.9618 153.1594 153.2824 153.5408 153.9247 154.2598 154.5796 154.7265 154.8031 154.9125 155.4351 155.8848 156.0784 156.3696 156.4208 156.5595 156.9529 157.5006 157.5790 157.9227 157.9800 158.0623 158.1283 159.1777 159.2929 159.4638 159.6295 159.7469 159.8332 160.0376 160.3099 160.5826 160.7133 161.4015 161.5162 161.8755 163.0576 163.5742 165.7320 166.4596 166.6296 168.3083 170.4654 171.0853 171.4295 173.0274 173.0887 175.6893 175.7884 176.1345 176.8755 178.0868 179.0880 180.1729 181.6809 182.2733 182.8409 184.4890 186.5533 187.4507 187.7732 188.8654 189.0566 192.2914 192.4779 194.8379 195.6733 195.7614 196.5718 196.8098 198.1668 199.2558 204.0942 206.9035 618.2390 621.0818 626.0649 631.2617 635.6084 639.3711 639.9763 640.5985 641.1800 642.4433 642.4910 643.1055 643.7977 644.8578 646.9039 647.9792 649.9164 650.7749 651.6647 902.9320 1198.9162 1200.7221 1201.0671 1210.0718 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 -0.287013 -0.485765 -0.435197 -0.437518 -0.093805 0.151792 -0.001516 -0.126234 -0.283360 -0.283405 -0.307053 0.413593 -0.010672 0.078827 -0.230159 -0.232267 -0.078707 -0.045397 -0.073953 -0.072630 -0.134997 -0.136058 0.345543 0.319325 0.104114 0.097829 0.100655 0.091892 0.095550 0.099306 0.093876 0.098805 0.123834 0.127473 0.139241 0.097694 0.094593 0.089814 0.102885 0.103207 0.072010 0.094219 0.102422 0.094099 0.102591 0.079143 0.081063 0.079721 0.080589 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 8.2870 8.4858 8.4352 8.4375 7.0938 5.8482 6.0015 6.1262 6.2834 6.2834 6.3071 5.5864 6.0107 5.9212 6.2302 6.2323 6.0787 6.0454 6.0740 6.0726 6.1350 6.1361 5.6545 5.6807 0.8959 0.9022 0.8993 0.9081 0.9044 0.9007 0.9061 0.9012 0.8762 0.8725 0.8608 0.9023 0.9054 0.9102 0.8971 0.8968 0.9280 0.9058 0.8976 0.9059 0.8974 0.9209 0.9189 0.9203 0.9194 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 -0.2870 -0.4858 -0.4352 -0.4375 -0.0938 0.1518 -0.0015 -0.1262 -0.2834 -0.2834 -0.3071 0.4136 -0.0107 0.0788 -0.2302 -0.2323 -0.0787 -0.0454 -0.0740 -0.0726 -0.1350 -0.1361 0.3455 0.3193 0.1041 0.0978 0.1007 0.0919 0.0956 0.0993 0.0939 0.0988 0.1238 0.1275 0.1392 0.0977 0.0946 0.0898 0.1029 0.1032 0.0720 0.0942 0.1024 0.0941 0.1026 0.0791 0.0811 0.0797 0.0806 2.1037 2.0157 2.0757 2.0668 3.1037 3.6882 3.8018 3.8150 3.8954 3.9084 3.8945 4.1268 3.7241 3.8746 3.9305 3.9367 3.7089 3.6714 3.9175 3.9188 3.9139 3.9158 4.1932 4.1830 1.0253 1.0301 0.9988 1.0180 1.0008 1.0000 1.0019 1.0027 1.0036 1.0136 1.0159 0.9961 0.9965 1.0061 0.9978 1.0009 1.0116 1.0149 1.0050 1.0141 1.0049 1.0066 1.0097 1.0066 1.0095 2.1037 2.0157 2.0757 2.0668 3.1037 3.6882 3.8018 3.8150 3.8954 3.9084 3.8945 4.1268 3.7241 3.8746 3.9305 3.9367 3.7089 3.6714 3.9175 3.9188 3.9139 3.9158 4.1932 4.1830 1.0253 1.0301 0.9988 1.0180 1.0008 1.0000 1.0019 1.0027 1.0036 1.0136 1.0159 0.9961 0.9965 1.0061 0.9978 1.0009 1.0116 1.0149 1.0050 1.0141 1.0049 1.0066 1.0097 1.0066 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 1.1499 0.8859 1.8710 1.9963 1.9804 0.9469 1.1112 1.1231 0.9540 0.8556 0.9436 0.9268 0.8919 0.9582 1.0038 1.0264 1.0208 0.9956 0.9873 0.9900 0.9966 0.9898 0.9904 1.8582 0.9970 0.9636 0.9691 0.9744 0.9825 0.9831 0.9796 0.9979 0.9799 0.9866 0.9934 1.7358 0.9748 0.9746 0.9768 0.9578 0.9289 0.9999 0.9827 0.9290 1.0001 0.9825 0.9245 1.0066 1.0072 1.0067 1.0070 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 -0.024278332 -1094.892644912840 -14.49916 15.57339 1.07424 -17.62928 16.01104 -1.61824 5.51901 -4.34645 1.17256 2.26883 5.76690