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:.6007,1.2529,-1.5424;.4136,-.9405,-1.1439;-1.4374,2.6792,.2107;-2.4594,-1.0457,-2.1898;-1.7316,.9605,-1.2973;2.1842,.2488,1.2981;2.8515,-.8536,.5409;2.2466,.2947,-.2235;.8716,-.0302,1.9897;3.0287,1.275,2.0107;4.3251,-1.0507,.5551;1.0181,.0969,-1.0081;5.0443,-1.4809,-.4847;-.6623,1.2765,-2.1941;6.5257,-1.6787,-.3843;4.4495,-1.797,-1.8224;-2.9463,.8389,.6594;-3.2407,-.2532,-.047;-3.5259,1.1805,1.9808;-4.1901,-1.312,.3709;-4.7532,.3045,2.2385;-4.5046,-1.1545,1.8596;-1.9605,1.6389,-.1055;-2.4604,-.2264,-1.3065;2.2702,-1.7714,.4885;2.9248,1.0392,-.6269;.2776,-.7962,1.4929;.2654,.8756,2.0599;1.0579,-.3772,3.0079;3.9569,1.4921,1.4822;3.2873,.931,3.0141;2.481,2.213,2.1158;4.8374,-.8549,1.4931;-.6967,.5877,-3.0377;-.7642,2.2915,-2.5679;6.9097,-1.4227,.6028;7.0514,-1.0666,-1.1218;6.7982,-2.7159,-.595;4.7166,-2.8107,-2.1308;4.8494,-1.1286,-2.5897;3.3641,-1.7184,-1.8424;-2.7674,1.0243,2.7547;-3.7861,2.2404,2.0219;-5.1026,-1.2325,-.2284;-3.7753,-2.3004,.1604;-5.038,.3753,3.2886;-5.596,.689,1.6576;-5.3749,-1.7606,2.1134;-3.6685,-1.5439,2.4468; 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 2160.8692929440 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 1.170e-05 Time for diagonalization 0.282 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.256 sec Total time needed 0.545 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:.6007,1.2529,-1.5424;.4136,-.9405,-1.1439;-1.4374,2.6792,.2107;-2.4594,-1.0457,-2.1898;-1.7316,.9605,-1.2973;2.1842,.2488,1.2981;2.8515,-.8536,.5409;2.2466,.2947,-.2235;.8716,-.0302,1.9897;3.0287,1.275,2.0107;4.3251,-1.0507,.5551;1.0181,.0969,-1.0081;5.0443,-1.4809,-.4847;-.6623,1.2765,-2.1941;6.5257,-1.6787,-.3843;4.4495,-1.797,-1.8224;-2.9463,.8389,.6594;-3.2407,-.2532,-.047;-3.5259,1.1805,1.9808;-4.1901,-1.312,.3709;-4.7532,.3045,2.2385;-4.5046,-1.1545,1.8596;-1.9605,1.6389,-.1055;-2.4604,-.2264,-1.3065;2.2702,-1.7714,.4885;2.9248,1.0392,-.6269;.2776,-.7962,1.4929;.2654,.8756,2.0599;1.0579,-.3772,3.0079;3.9569,1.4921,1.4822;3.2873,.931,3.0141;2.481,2.213,2.1158;4.8374,-.8549,1.4931;-.6967,.5877,-3.0377;-.7642,2.2915,-2.5679;6.9097,-1.4227,.6028;7.0514,-1.0666,-1.1218;6.7982,-2.7159,-.595;4.7166,-2.8107,-2.1308;4.8494,-1.1286,-2.5897;3.3641,-1.7184,-1.8424;-2.7674,1.0243,2.7547;-3.7861,2.2404,2.0219;-5.1026,-1.2325,-.2284;-3.7753,-2.3004,.1604;-5.038,.3753,3.2886;-5.596,.689,1.6576;-5.3749,-1.7606,2.1134;-3.6685,-1.5439,2.4468; 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:.6007,1.2529,-1.5424;.4136,-.9405,-1.1439;-1.4374,2.6792,.2107;-2.4594,-1.0457,-2.1898;-1.7316,.9605,-1.2973;2.1842,.2488,1.2981;2.8515,-.8536,.5409;2.2466,.2947,-.2235;.8716,-.0302,1.9897;3.0287,1.275,2.0107;4.3251,-1.0507,.5551;1.0181,.0969,-1.0081;5.0443,-1.4809,-.4847;-.6623,1.2765,-2.1941;6.5257,-1.6787,-.3843;4.4495,-1.797,-1.8224;-2.9463,.8389,.6594;-3.2407,-.2532,-.047;-3.5259,1.1805,1.9808;-4.1901,-1.312,.3709;-4.7532,.3045,2.2385;-4.5046,-1.1545,1.8596;-1.9605,1.6389,-.1055;-2.4604,-.2264,-1.3065;2.2702,-1.7714,.4885;2.9248,1.0392,-.6269;.2776,-.7962,1.4929;.2654,.8756,2.0599;1.0579,-.3772,3.0079;3.9569,1.4921,1.4822;3.2873,.931,3.0141;2.481,2.213,2.1158;4.8374,-.8549,1.4931;-.6967,.5877,-3.0377;-.7642,2.2915,-2.5679;6.9097,-1.4227,.6028;7.0514,-1.0666,-1.1218;6.7982,-2.7159,-.595;4.7166,-2.8107,-2.1308;4.8494,-1.1286,-2.5897;3.3641,-1.7184,-1.8424;-2.7674,1.0243,2.7547;-3.7861,2.2404,2.0219;-5.1026,-1.2325,-.2284;-3.7753,-2.3004,.1604;-5.038,.3753,3.2886;-5.596,.689,1.6576;-5.3749,-1.7606,2.1134;-3.6685,-1.5439,2.4468; 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 2901 GEPOL Volume 2261.4361 GEPOL Surface-area 1339.4622 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -1094.86705112 2160.86929294 -3255.73634407 -5784.35999674 2528.62365268 -0.03850178 -2184.91800795 1090.05095683 2.00441823 89.000087986239 89.000087986239 178.000175972477 -105.975851307963 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 -524.9168 -523.6503 -523.6251 -523.2762 -393.9508 -283.5279 -283.3716 -283.3614 -282.4113 -280.4525 -280.4284 -280.3004 -279.9523 -279.8260 -279.7394 -279.7330 -279.7265 -279.4141 -279.4084 -279.2343 -279.1764 -279.1636 -279.1313 -279.1295 -33.9640 -32.8870 -32.4110 -31.3532 -29.7555 -27.3884 -26.7915 -25.1448 -24.8644 -23.8507 -23.4673 -22.9923 -22.0643 -21.7689 -21.7488 -21.3166 -20.9938 -20.0876 -19.7492 -18.9331 -18.1858 -18.0290 -17.6074 -17.1501 -17.0536 -16.6324 -16.4695 -16.2064 -16.0459 -15.5010 -15.3612 -15.2935 -15.0746 -15.0413 -14.6301 -14.5844 -14.4601 -14.3383 -14.1568 -13.9774 -13.9368 -13.8091 -13.5347 -13.5023 -13.1824 -13.0488 -12.9065 -12.8595 -12.8069 -12.4124 -12.3043 -12.0323 -11.8652 -11.6107 -11.5181 -11.4336 -11.3955 -10.9771 -10.8272 -10.7206 -10.3851 -10.2753 -9.9673 -9.5941 -8.6891 -0.4417 1.9209 2.6445 2.9442 3.1645 3.3762 3.7363 3.9797 4.1394 4.1999 4.2612 4.3798 4.4783 4.6439 4.8059 4.9050 4.9993 5.0950 5.1188 5.3570 5.4709 5.5253 5.6227 5.6286 5.7346 5.8376 6.0350 6.1245 6.1873 6.2869 6.4871 6.5163 6.6590 6.7435 6.8289 6.8647 6.9537 7.1523 7.2080 7.4101 7.4928 7.6043 7.6499 7.6764 7.9275 7.9652 8.0045 8.1183 8.1793 8.4078 8.5288 8.7770 8.9473 8.9801 9.2528 9.2904 9.4989 9.5025 9.5793 9.7397 9.9509 10.0304 10.2649 10.2899 10.4106 10.4530 10.6097 10.7898 10.8456 10.8558 10.9523 11.0593 11.1389 11.2741 11.4267 11.6684 11.8439 11.9931 12.0947 12.1794 12.3338 12.5055 12.5231 12.6616 12.8632 12.9610 13.1318 13.2329 13.2716 13.4139 13.4971 13.5798 13.6509 13.7695 13.9119 13.9472 14.0178 14.0739 14.1777 14.2821 14.3596 14.4269 14.5028 14.5291 14.5613 14.6526 14.8411 14.8486 14.9054 15.0406 15.1364 15.2322 15.3415 15.3778 15.4383 15.4823 15.5276 15.5999 15.6690 15.7281 15.8416 15.8800 15.9471 16.1619 16.2867 16.4927 16.6143 16.7395 16.9238 17.0214 17.1951 17.3666 17.3850 17.5057 17.5165 17.6188 17.6791 17.8651 17.9298 18.2241 18.3542 18.4489 18.4840 18.6369 18.9434 19.0409 19.2419 19.3492 19.5323 19.6339 19.7352 19.9899 20.0062 20.3866 20.4701 20.7177 20.7878 21.0882 21.1910 21.4527 21.6535 21.7930 21.9362 22.1091 22.3357 22.3852 22.6044 22.6618 22.7334 22.9031 23.2232 23.2962 23.5131 23.7257 23.7619 23.9918 24.2111 24.3040 24.3658 24.5060 24.5969 25.0147 25.1141 25.2559 25.4206 25.5232 25.8270 25.9638 26.0050 26.1061 26.1203 26.3514 26.5929 26.8727 26.9683 27.0450 27.4027 27.5125 27.6038 28.0547 28.1790 28.2715 28.3646 28.4829 28.5951 28.7382 28.8258 28.9052 29.2466 29.3369 29.4022 29.4750 29.6352 29.7457 29.8369 30.0032 30.2081 30.3489 30.3742 30.4745 30.5426 30.7567 30.8192 30.9543 31.1385 31.3998 31.4626 31.6085 31.7074 31.8427 31.8727 32.0585 32.1244 32.3343 32.4618 32.5675 32.6259 32.8620 33.1673 33.2177 33.3560 33.4502 33.4795 33.5940 33.7145 33.7985 33.8191 33.9066 34.1188 34.2884 34.3512 34.6503 34.7934 34.8960 35.0181 35.1656 35.2819 35.4290 35.6518 35.8656 35.9756 36.0313 36.1234 36.4244 36.4908 36.6339 36.7086 36.9683 37.1201 37.3948 37.5277 37.6978 37.8678 38.0931 38.1995 38.2879 38.3764 38.5522 38.7237 38.8342 39.0655 39.2569 39.4386 39.5495 39.6478 39.8222 39.9225 40.1193 40.2002 40.4239 40.6296 40.7498 40.8270 41.1045 41.2836 41.3266 41.4340 41.5589 41.8595 41.9801 42.1412 42.2214 42.3936 42.4517 42.5451 42.6025 42.7408 42.8992 42.9848 43.0810 43.1720 43.2307 43.4882 43.6219 43.7386 43.8289 43.9472 44.0788 44.2762 44.3001 44.5459 44.6264 44.7088 44.8853 44.9688 45.0504 45.1280 45.3815 45.6376 45.7609 45.9138 46.1126 46.1609 46.3945 46.4905 46.5359 46.8747 46.9166 47.0795 47.1201 47.2783 47.3214 47.5640 47.7145 47.8895 47.9385 48.0720 48.3977 48.5478 48.6258 48.6650 48.7866 49.3362 49.5797 49.7294 49.8420 50.0629 50.2247 50.3288 50.6715 50.9523 51.1332 51.6644 51.7247 51.9725 52.1020 52.3361 52.6018 52.7176 53.2643 53.7196 53.8874 54.1389 54.2377 54.6529 54.8411 54.9530 55.3250 55.7594 56.2670 56.3402 56.4262 56.5978 56.9079 57.2766 57.5410 57.8289 57.8611 57.9962 58.6921 58.7261 58.8313 59.3089 59.5432 59.6339 59.9051 60.4418 60.6332 60.9126 61.0768 61.3462 61.4087 61.7352 61.9298 62.3255 62.3726 62.5528 62.6912 62.9895 63.0700 63.3993 63.7700 63.8309 64.0756 64.7600 64.9840 64.9932 65.5200 65.9066 66.1607 66.3230 66.6617 66.9988 67.4539 67.7290 67.8744 68.2029 68.3079 68.7036 68.9310 69.0680 69.4547 69.5149 69.8202 70.1901 70.5708 70.6661 70.8771 71.1025 71.2890 71.3324 71.6122 71.7736 71.9198 72.0381 72.3037 72.7201 72.8382 73.0890 73.2949 73.4676 73.6106 73.7076 73.8418 74.1314 74.3557 74.5674 74.9544 75.1260 75.2401 75.4293 75.5275 75.6947 75.7643 75.9133 76.1907 76.2664 76.8133 76.8884 77.0336 77.2846 77.5581 77.7762 78.0365 78.1298 78.1966 78.4647 78.6296 78.6942 78.7750 79.0914 79.3401 79.4745 79.5514 79.5803 79.7558 79.9195 80.0281 80.1148 80.4289 80.6240 80.7033 80.8512 81.0090 81.1386 81.2334 81.3300 81.4699 81.6796 81.7943 81.8484 82.0018 82.2917 82.4599 82.6618 82.7582 83.0799 83.1468 83.1524 83.4102 83.5151 83.6297 83.7558 83.8481 84.0248 84.1800 84.3099 84.6139 84.6672 84.8124 85.0263 85.1453 85.2041 85.3198 85.4283 85.4531 85.7405 85.8021 85.9814 86.1815 86.2754 86.3892 86.6044 86.7353 86.7927 86.8756 86.9462 87.1381 87.3094 87.4047 87.5941 87.8146 87.8567 87.9959 88.0533 88.1402 88.4114 88.5176 88.6386 88.7002 88.9493 89.0899 89.1058 89.3209 89.4086 89.5668 89.8203 89.9496 90.1037 90.3306 90.4653 90.6733 90.7571 90.8736 90.9527 91.0558 91.2112 91.2966 91.3942 91.5530 91.6414 91.8068 92.0399 92.2171 92.3169 92.5002 92.6565 92.7170 92.7994 93.0545 93.1623 93.2761 93.4509 93.4674 93.5779 93.8151 94.1334 94.2999 94.4607 94.4725 94.6550 94.8246 94.8715 95.0066 95.0984 95.2478 95.3222 95.5397 95.6487 95.7341 95.9331 96.1671 96.3360 96.4435 96.5118 96.7478 96.8654 96.8860 97.0378 97.1400 97.2291 97.4603 97.7349 97.7767 97.9379 98.1305 98.2159 98.3460 98.4938 98.5709 98.9066 99.0915 99.3766 99.5683 99.6266 99.7456 99.8329 99.9684 100.0983 100.1428 100.3367 100.4665 100.7779 100.8264 100.9926 101.0015 101.3878 101.4905 101.5277 101.7181 101.8207 102.0256 102.2523 102.3874 102.4288 102.6694 102.8171 103.1688 103.2820 103.3266 103.4947 103.5952 103.7885 104.0907 104.2716 104.4195 104.5659 104.7012 104.7753 105.2240 105.3474 105.5659 105.6733 105.8708 106.1889 106.2243 106.4757 106.6536 106.9325 106.9995 107.2249 107.3158 107.6554 107.8222 108.0437 108.3449 108.4669 108.5363 108.6134 108.7568 109.0185 109.0901 109.1514 109.3429 109.6736 109.7286 109.8264 110.1015 110.3095 110.4609 110.5355 110.6289 110.6808 110.8824 111.0718 111.1102 111.3894 111.5983 111.6878 111.8364 112.0291 112.1862 112.3116 112.3494 112.5104 112.7046 112.9884 113.2492 113.3376 113.3990 113.6105 113.7357 113.9096 114.0360 114.1797 114.2610 114.5028 114.6096 114.6707 114.8644 114.9133 115.1349 115.2449 115.3890 115.5004 115.6313 115.7089 115.8853 115.9876 116.1769 116.3150 116.4928 116.5317 116.7565 116.8843 117.0811 117.2837 117.3674 117.4275 117.4784 117.7912 117.9088 117.9917 118.1450 118.2396 118.3428 118.5430 118.8111 118.8574 119.0201 119.3308 119.4679 119.5980 119.6651 120.2182 120.4003 120.5271 120.6570 120.7740 121.0318 121.3609 121.4120 121.7241 121.9903 122.1413 122.3374 122.3782 122.8018 123.0470 123.1022 123.1827 123.6879 123.9491 124.2936 124.4049 124.5609 124.7662 125.0857 125.1888 125.2576 125.3707 125.6952 125.9818 126.2418 126.3459 126.6717 126.7713 127.0075 127.0736 127.6815 127.9764 128.1090 128.3798 128.6023 128.7489 129.0360 129.2693 129.4106 129.6620 129.9047 130.0553 130.1795 130.4347 130.4806 130.6483 130.7516 131.0808 131.1805 131.5562 131.6953 131.7615 131.9457 132.2382 132.4741 132.8371 133.0833 133.6317 133.8033 134.0629 134.2297 134.5233 134.7183 134.7926 135.0548 135.2362 135.4682 135.6332 135.8755 136.2271 136.3930 136.9430 137.1181 137.5757 137.9444 138.1966 138.5768 138.6560 139.0372 139.2327 139.4073 139.4495 139.8818 140.0305 140.0645 140.4108 140.8105 141.1862 141.2703 141.4240 141.5703 141.8440 142.0732 142.2507 142.4383 142.8264 143.1039 143.1752 143.3595 143.5541 143.6195 143.8406 144.2033 144.4634 144.6073 144.7881 144.9968 145.1768 145.4214 145.5134 145.5639 145.7961 145.9966 146.2730 146.4240 146.6473 146.9257 147.0171 147.2494 147.4141 147.7803 148.0064 148.2956 148.4682 148.6049 148.7033 148.9638 149.1359 149.3127 149.5204 149.9050 149.9939 150.1512 150.2287 150.4190 150.5518 150.7614 150.8787 151.0469 151.1711 151.3291 151.3690 151.4769 151.5393 152.5188 152.6141 152.7226 152.9768 153.1736 153.2878 153.6608 154.1280 154.3305 154.6821 154.7491 154.9086 155.0836 155.3937 155.6047 155.9593 155.9916 156.4767 156.5024 156.8180 156.8387 157.4860 157.6084 157.9076 158.0327 158.0680 158.1368 159.0082 159.2792 159.4607 159.5487 159.9196 160.0582 160.1683 160.4891 160.5190 160.7731 161.1871 161.4145 161.9166 163.1774 164.4912 165.7991 166.0645 167.1323 168.8482 169.4770 171.5568 171.7330 172.5214 173.3473 175.5155 175.7863 175.7965 176.5076 178.6012 179.4077 180.2759 181.8194 181.8894 182.2413 185.9311 186.9120 187.4595 187.8720 188.6420 189.3372 191.7954 192.3340 193.0700 195.5303 196.4195 196.5126 196.5654 198.9508 199.3131 204.2641 206.3435 618.8124 621.3213 626.4319 631.6773 636.0762 638.9614 639.9291 640.1372 641.3354 642.5838 642.6566 643.4769 643.7128 645.0477 646.9727 648.5924 650.1958 650.7959 651.7143 902.1018 1199.6403 1200.9040 1203.1331 1210.2330 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 -0.280828 -0.479199 -0.433566 -0.427794 -0.102797 0.171652 -0.014908 -0.137137 -0.281999 -0.291524 -0.302508 0.415400 -0.020321 0.085446 -0.229988 -0.236908 -0.095127 -0.031059 -0.064133 -0.075162 -0.138634 -0.133460 0.321324 0.317668 0.104836 0.102820 0.090573 0.091263 0.106714 0.094210 0.099887 0.098923 0.125406 0.135452 0.145772 0.090296 0.094772 0.096353 0.100206 0.099535 0.076778 0.102117 0.094343 0.101925 0.093464 0.080994 0.079037 0.080741 0.079145 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 8.2808 8.4792 8.4336 8.4278 7.1028 5.8283 6.0149 6.1371 6.2820 6.2915 6.3025 5.5846 6.0203 5.9146 6.2300 6.2369 6.0951 6.0311 6.0641 6.0752 6.1386 6.1335 5.6787 5.6823 0.8952 0.8972 0.9094 0.9087 0.8933 0.9058 0.9001 0.9011 0.8746 0.8645 0.8542 0.9097 0.9052 0.9036 0.8998 0.9005 0.9232 0.8979 0.9057 0.8981 0.9065 0.9190 0.9210 0.9193 0.9209 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 -0.2808 -0.4792 -0.4336 -0.4278 -0.1028 0.1717 -0.0149 -0.1371 -0.2820 -0.2915 -0.3025 0.4154 -0.0203 0.0854 -0.2300 -0.2369 -0.0951 -0.0311 -0.0641 -0.0752 -0.1386 -0.1335 0.3213 0.3177 0.1048 0.1028 0.0906 0.0913 0.1067 0.0942 0.0999 0.0989 0.1254 0.1355 0.1458 0.0903 0.0948 0.0964 0.1002 0.0995 0.0768 0.1021 0.0943 0.1019 0.0935 0.0810 0.0790 0.0807 0.0791 2.1153 2.0158 2.0664 2.0802 3.0806 3.7060 3.8250 3.8129 3.8901 3.9007 3.8871 4.1520 3.7130 3.8902 3.9299 3.9305 3.7090 3.6238 3.9112 3.9134 3.9216 3.9151 4.1594 4.1889 1.0239 1.0275 1.0121 1.0083 1.0019 1.0015 0.9995 1.0031 1.0023 1.0136 0.9925 1.0059 0.9963 0.9961 1.0001 0.9985 1.0214 1.0059 1.0163 1.0037 1.0159 1.0093 1.0061 1.0094 1.0071 2.1153 2.0158 2.0664 2.0802 3.0806 3.7060 3.8250 3.8129 3.8901 3.9007 3.8871 4.1520 3.7130 3.8902 3.9299 3.9305 3.7090 3.6238 3.9112 3.9134 3.9216 3.9151 4.1594 4.1889 1.0239 1.0275 1.0121 1.0083 1.0019 1.0015 0.9995 1.0031 1.0023 1.0136 0.9925 1.0059 0.9963 0.9961 1.0001 0.9985 1.0214 1.0059 1.0163 1.0037 1.0159 1.0093 1.0061 1.0094 1.0071 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.1613 0.8941 1.8662 1.9855 2.0156 0.9186 1.0978 1.1264 0.9536 0.8510 0.9408 0.9221 0.9395 0.9469 0.9974 1.0005 1.0099 0.9824 0.9963 0.9888 0.9933 0.9953 0.9904 1.8657 0.9954 0.9634 0.9608 0.9847 0.9724 0.9987 0.9800 0.9822 0.9852 0.9829 0.9990 1.7258 0.9771 0.9620 0.9807 0.9355 0.9279 0.9802 1.0017 0.9301 0.9808 1.0009 0.9262 1.0070 1.0067 1.0072 1.0066 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 -0.025904977 -1094.892956098441 17.28963 -17.65792 -0.36829 -7.55201 7.90106 0.34905 14.85616 -13.57113 1.28503 1.38158 3.51170