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:-.4281,1.7119,1.3232;-.466,1.5194,-.9048;2.5014,2.3516,-1.1513;1.7299,-.0946,2.6048;1.8764,1.414,.8685;-3.5029,.9006,-.4885;-2.7791,-.4065,-.5112;-2.2932,.6917,.4118;-3.4353,1.7889,-1.7062;-4.8293,.9778,.2271;-3.354,-1.6412,.0816;-.9958,1.3373,.1661;-4.0797,-2.5343,-.596;.8543,2.3218,1.2865;-4.6156,-3.7674,.0641;-4.421,-2.3871,-2.0468;3.3768,.2241,-.4128;3.1498,-.4992,.6844;4.2879,-.1623,-1.5167;3.7706,-1.8117,.9848;4.6261,-1.6493,-1.3971;4.9521,-2.0469,.0419;2.5613,1.4607,-.3423;2.1828,.2341,1.5361;-2.1595,-.5529,-1.3928;-2.5306,.5589,1.4619;-2.5445,1.6268,-2.3083;-4.2985,1.5851,-2.3431;-3.4739,2.8448,-1.432;-5.6295,.6035,-.4155;-4.8446,.3964,1.1486;-5.0671,2.0121,.4828;-3.1661,-1.8164,1.137;1.0347,2.6489,2.3069;.8698,3.1936,.6333;-5.705,-3.8094,-.012;-4.2378,-4.6692,-.4246;-4.3479,-3.8186,1.1193;-4.0211,-3.2231,-2.6266;-5.5045,-2.4072,-2.1879;-4.0459,-1.4639,-2.4864;3.8316,.0596,-2.4842;5.196,.4468,-1.463;4.089,-1.8545,2.0288;3.0174,-2.5972,.8667;3.777,-2.2395,-1.753;5.4675,-1.885,-2.0495;5.8107,-1.4664,.3907;5.2458,-3.0964,.0818; 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 2104.9802205769 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 1.324e-05 Time for diagonalization 0.255 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.234 sec Total time needed 0.496 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:-.4281,1.7119,1.3232;-.466,1.5194,-.9048;2.5014,2.3516,-1.1513;1.7299,-.0946,2.6048;1.8764,1.414,.8685;-3.5029,.9006,-.4885;-2.7791,-.4065,-.5112;-2.2932,.6917,.4118;-3.4353,1.7889,-1.7062;-4.8293,.9778,.2271;-3.354,-1.6412,.0816;-.9958,1.3373,.1661;-4.0797,-2.5343,-.596;.8543,2.3218,1.2865;-4.6156,-3.7674,.0641;-4.4209,-2.3871,-2.0468;3.3768,.2241,-.4128;3.1498,-.4992,.6844;4.2879,-.1623,-1.5167;3.7706,-1.8117,.9848;4.6261,-1.6493,-1.3971;4.9521,-2.0469,.0419;2.5613,1.4607,-.3423;2.1828,.2341,1.5361;-2.1595,-.5529,-1.3928;-2.5306,.5589,1.4619;-2.5445,1.6268,-2.3083;-4.2985,1.5851,-2.3431;-3.4739,2.8448,-1.432;-5.6295,.6035,-.4155;-4.8446,.3964,1.1486;-5.0671,2.0121,.4828;-3.1661,-1.8164,1.137;1.0347,2.6489,2.3069;.8698,3.1936,.6333;-5.705,-3.8094,-.012;-4.2378,-4.6692,-.4246;-4.3479,-3.8186,1.1193;-4.0211,-3.2231,-2.6266;-5.5045,-2.4072,-2.1879;-4.0459,-1.4639,-2.4864;3.8316,.0596,-2.4842;5.196,.4468,-1.463;4.089,-1.8545,2.0288;3.0174,-2.5972,.8667;3.777,-2.2395,-1.753;5.4675,-1.885,-2.0495;5.8107,-1.4664,.3907;5.2458,-3.0964,.0818; 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:-.4281,1.7119,1.3232;-.466,1.5194,-.9048;2.5014,2.3516,-1.1513;1.7299,-.0946,2.6048;1.8764,1.414,.8685;-3.5029,.9006,-.4885;-2.7791,-.4065,-.5112;-2.2932,.6917,.4118;-3.4353,1.7889,-1.7062;-4.8293,.9778,.2271;-3.354,-1.6412,.0816;-.9958,1.3373,.1661;-4.0797,-2.5343,-.596;.8543,2.3218,1.2865;-4.6156,-3.7674,.0641;-4.421,-2.3871,-2.0468;3.3768,.2241,-.4128;3.1498,-.4992,.6844;4.2879,-.1623,-1.5167;3.7706,-1.8117,.9848;4.6261,-1.6493,-1.3971;4.9521,-2.0469,.0419;2.5613,1.4607,-.3423;2.1828,.2341,1.5361;-2.1595,-.5529,-1.3928;-2.5306,.5589,1.4619;-2.5445,1.6268,-2.3083;-4.2985,1.5851,-2.3431;-3.4739,2.8448,-1.432;-5.6295,.6035,-.4155;-4.8446,.3964,1.1486;-5.0671,2.0121,.4828;-3.1661,-1.8164,1.137;1.0347,2.6489,2.3069;.8698,3.1936,.6333;-5.705,-3.8094,-.012;-4.2378,-4.6692,-.4246;-4.3479,-3.8186,1.1193;-4.0211,-3.2231,-2.6266;-5.5045,-2.4072,-2.1879;-4.0459,-1.4639,-2.4864;3.8316,.0596,-2.4842;5.196,.4468,-1.463;4.089,-1.8545,2.0288;3.0174,-2.5972,.8667;3.777,-2.2395,-1.753;5.4675,-1.885,-2.0495;5.8107,-1.4664,.3907;5.2458,-3.0964,.0818; 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 2890 GEPOL Volume 2265.3903 GEPOL Surface-area 1340.6072 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.86814060 2104.98022058 -3199.84836118 -5672.74766909 2472.89930791 -0.03961285 -2184.90522764 1090.03708704 2.00443201 89.000152825433 89.000152825433 178.000305650866 -105.972778783913 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 -524.8877 -523.6454 -523.6271 -523.2059 -393.9551 -283.5200 -283.3689 -283.3659 -282.3969 -280.4468 -280.4229 -280.2933 -279.9936 -279.9249 -279.7304 -279.7295 -279.7248 -279.4133 -279.4078 -279.2512 -279.1552 -279.1455 -279.1339 -279.1271 -33.9102 -32.8910 -32.4088 -31.3100 -29.7546 -27.3828 -26.7875 -25.1500 -24.8693 -23.8459 -23.5046 -22.9823 -22.0237 -21.8021 -21.7106 -21.3227 -20.9926 -20.0743 -19.7484 -18.9078 -18.1324 -18.0646 -17.6356 -17.3733 -17.0389 -16.5748 -16.3283 -16.1251 -16.0054 -15.4714 -15.3737 -15.2415 -15.0563 -14.8331 -14.7664 -14.5980 -14.4679 -14.4365 -14.1997 -13.9837 -13.9483 -13.8079 -13.5418 -13.4044 -13.1871 -13.0454 -12.9110 -12.8599 -12.7078 -12.4850 -12.3430 -12.0153 -11.8769 -11.6094 -11.4879 -11.4197 -11.3915 -10.9384 -10.7935 -10.6016 -10.4242 -10.2828 -10.1771 -9.6001 -8.5982 -0.4321 2.0248 2.5291 3.0800 3.1783 3.2924 3.8001 3.9415 4.0997 4.1958 4.3010 4.4350 4.5718 4.7025 4.7296 4.9437 5.0299 5.0386 5.2510 5.3552 5.4195 5.4506 5.5779 5.6171 5.8042 5.9086 6.0489 6.1611 6.2180 6.3099 6.4749 6.5195 6.5566 6.6263 6.7583 6.8072 6.8938 7.1010 7.1374 7.2621 7.3956 7.4209 7.5439 7.6379 7.6984 7.8373 7.9177 7.9930 8.1298 8.1951 8.4951 8.6913 8.7344 8.8981 9.0291 9.0939 9.3459 9.4305 9.4803 9.6002 9.7205 9.8972 9.9739 10.1638 10.3647 10.4173 10.6188 10.6238 10.7656 10.7896 10.8673 10.9770 11.1772 11.3067 11.5017 11.5427 11.7514 11.8125 12.0902 12.2550 12.3336 12.4356 12.6343 12.7156 12.8685 12.9286 13.0797 13.1367 13.2259 13.3441 13.4029 13.4543 13.4981 13.5846 13.6402 13.6902 13.8004 13.9024 13.9142 14.0517 14.1411 14.1972 14.2776 14.3627 14.4426 14.5464 14.6293 14.7003 14.8255 14.9616 15.0085 15.0480 15.1807 15.2954 15.3699 15.4741 15.5096 15.5240 15.5654 15.6448 15.7384 15.8466 15.8968 15.9881 16.1217 16.2989 16.4969 16.5536 16.7417 16.7823 16.8476 16.9754 17.0656 17.2432 17.3209 17.4521 17.4590 17.5455 17.5846 17.6681 17.9640 18.0066 18.2547 18.5805 18.7084 18.9196 18.9879 19.1675 19.3291 19.5503 19.6978 19.8679 20.1378 20.2575 20.3028 20.4777 20.5626 20.8520 21.0525 21.1383 21.3335 21.6765 21.7846 22.0090 22.2040 22.3428 22.4165 22.4520 22.6863 22.7513 23.0277 23.1030 23.3076 23.6355 23.7065 23.8220 23.9099 24.0562 24.2074 24.3260 24.6681 24.8143 24.9387 24.9687 25.1273 25.2901 25.3206 25.3808 25.7535 25.9149 26.1624 26.2697 26.4485 26.6653 26.8449 27.0231 27.0988 27.2558 27.4703 27.5119 27.6829 28.0587 28.2160 28.3083 28.3214 28.5577 28.6847 28.7701 28.9157 28.9987 29.0860 29.1676 29.3544 29.4844 29.6925 29.8342 29.8984 29.9632 30.0236 30.3024 30.4483 30.4728 30.7223 30.8753 30.9138 31.0609 31.2754 31.4064 31.4883 31.5665 31.6400 31.7415 32.0389 32.1431 32.2374 32.3490 32.4699 32.6869 32.8677 32.9627 33.0378 33.1442 33.2052 33.5624 33.5880 33.6120 33.7588 33.8553 33.9885 34.0166 34.1702 34.4344 34.4669 34.6865 34.8291 35.1711 35.2773 35.5096 35.7092 35.7712 35.8228 35.9620 36.1112 36.3517 36.3982 36.5342 36.7519 36.8501 36.9826 37.2268 37.2999 37.4281 37.5067 37.7329 37.8562 37.9992 38.1412 38.3798 38.5866 38.8179 38.9252 39.1322 39.1799 39.3300 39.4673 39.7126 39.7312 39.9582 40.0756 40.2385 40.3513 40.5259 40.7183 40.7757 40.9635 41.3341 41.4509 41.6011 41.6753 41.7766 41.9520 42.0305 42.1760 42.2421 42.3249 42.5057 42.5636 42.7992 42.8426 42.8565 43.0314 43.0762 43.1939 43.2334 43.4807 43.5995 43.7772 43.8738 43.9735 44.0163 44.1924 44.2907 44.4283 44.5871 44.6767 44.7464 44.8282 45.0263 45.2224 45.4994 45.6670 45.8372 46.0937 46.3061 46.5076 46.5627 46.6330 46.8538 46.9350 46.9602 47.1029 47.3319 47.5125 47.6888 47.7424 48.0042 48.0963 48.1633 48.2387 48.5526 48.7385 48.9584 49.1084 49.2677 49.4722 49.5324 49.7275 49.9240 50.0379 50.0906 50.3688 50.9988 51.1486 51.4270 51.5899 51.9467 52.3370 52.3891 52.7543 53.1809 53.3882 53.4924 53.7085 53.9394 54.0943 54.2908 54.7357 54.9896 55.2757 55.4802 56.3488 56.5028 56.8653 57.1163 57.2908 57.3281 57.5438 57.7997 58.3128 58.3329 58.6230 58.8129 59.2579 59.6895 59.8228 60.0156 60.3453 60.6134 60.7107 60.8234 60.9596 61.3336 61.4703 61.8608 62.0070 62.1725 62.7271 62.7494 62.9534 63.0842 63.3241 63.5658 63.6684 63.8803 64.0708 64.7604 64.8977 65.4200 65.7718 66.0719 66.1263 66.5758 66.8548 67.2426 67.7674 67.8413 68.0511 68.2909 68.7470 68.8132 69.1352 69.2479 69.6622 69.8859 70.0237 70.4591 70.6164 70.7828 70.9775 71.1742 71.3817 71.5981 71.7270 71.8545 71.9227 72.0225 72.2384 72.6833 73.0496 73.1452 73.2782 73.3883 73.7285 73.8514 74.0961 74.3908 74.7952 74.8456 74.9649 75.0924 75.2458 75.3934 75.5015 75.6155 75.9185 76.1684 76.4020 76.5047 76.7158 77.0743 77.1792 77.4106 77.6278 77.9201 77.9233 78.1387 78.2149 78.3290 78.5191 78.6329 78.8596 79.1502 79.2326 79.2870 79.3969 79.5827 79.6481 79.7152 79.9752 80.1305 80.2810 80.5485 80.6384 80.8056 80.8099 81.0573 81.3015 81.3534 81.4508 81.4974 81.6297 81.8007 81.9732 82.3227 82.4174 82.6647 82.7251 82.8795 83.0165 83.1539 83.3293 83.5197 83.5917 83.8392 83.8912 83.9659 84.1078 84.1959 84.3344 84.5446 84.6573 85.0225 85.0615 85.1277 85.1881 85.3326 85.5150 85.6485 85.7802 85.8492 85.9880 86.0821 86.3079 86.4045 86.4697 86.6510 86.7233 87.0329 87.0541 87.2089 87.4791 87.6580 87.6816 87.8272 87.9998 88.0888 88.2114 88.2634 88.4681 88.5007 88.6422 88.8368 88.9428 89.0640 89.1990 89.4038 89.6253 89.8835 89.9815 90.0499 90.1230 90.2872 90.4951 90.5768 90.6877 90.7306 90.9890 91.2327 91.2484 91.4435 91.6073 91.7942 91.9523 92.0375 92.3297 92.4418 92.5434 92.6722 92.8104 92.9363 93.0733 93.2689 93.4241 93.4562 93.7049 93.8369 93.8667 94.0859 94.1617 94.4415 94.6203 94.6989 94.7709 94.9075 94.9810 95.0303 95.1281 95.2509 95.2910 95.5778 95.7167 95.7651 96.0409 96.2269 96.3940 96.5529 96.6764 96.7775 96.9889 97.0261 97.1776 97.4238 97.5242 97.6121 97.7009 97.9937 98.0107 98.2463 98.3973 98.4560 98.7502 98.9694 99.0194 99.1209 99.2532 99.4908 99.6622 99.7786 99.8276 100.0629 100.3246 100.4118 100.6082 100.7248 100.8258 100.9764 101.3454 101.5050 101.6613 101.7264 101.8157 102.1629 102.1804 102.2712 102.6190 102.6825 102.7621 102.9145 103.1269 103.4297 103.5043 103.7116 103.8017 103.9323 104.1343 104.3269 104.4389 104.6309 104.7725 104.8774 104.9589 105.3112 105.6156 105.7572 105.8830 106.0575 106.2667 106.3939 106.8374 106.9142 107.1059 107.2538 107.3931 107.7236 107.8530 108.0532 108.2678 108.5530 108.6120 108.8035 109.0171 109.0908 109.1906 109.4181 109.4580 109.6985 109.7495 109.8789 110.1100 110.1452 110.3474 110.3949 110.5192 110.6653 110.6742 110.8850 111.0513 111.2913 111.3262 111.6050 111.8210 111.9016 112.1063 112.2358 112.4299 112.6495 112.8698 113.0733 113.2568 113.3753 113.6274 113.7734 113.8724 114.0482 114.0595 114.1959 114.4190 114.4445 114.6003 114.7733 114.8130 114.9323 115.0742 115.1492 115.3493 115.4705 115.6093 115.7360 115.9645 116.0039 116.3192 116.4778 116.5766 116.6115 116.6178 116.7805 117.0870 117.2709 117.3996 117.4531 117.5496 117.6508 117.7858 117.9529 118.1322 118.3124 118.4880 118.6445 118.8120 118.8950 119.0751 119.4968 119.5403 119.5573 119.8511 120.3109 120.3488 120.4237 120.7145 121.0642 121.1865 121.3173 121.6136 121.8219 122.0560 122.2889 122.3818 122.8557 123.0012 123.0659 123.1713 123.4139 123.5755 124.1852 124.2662 124.4848 124.6911 124.8477 125.1496 125.3173 125.5506 125.6869 125.9535 126.1411 126.2093 126.3341 126.5933 126.7921 126.9109 127.5383 127.6995 127.9137 128.1432 128.2506 128.8125 129.0606 129.1931 129.2589 129.5773 129.6758 129.8424 130.0568 130.2307 130.2748 130.4562 130.6563 131.0884 131.4939 131.5322 131.7813 131.8953 131.9762 132.3296 132.5118 132.7405 133.1155 133.4047 133.8306 133.8691 134.2840 134.4360 134.4713 134.5856 134.8261 135.0349 135.1195 135.4636 135.8792 136.0266 136.3201 136.4833 136.9981 137.6764 137.8977 138.1950 138.6132 138.8998 138.9780 139.1348 139.4600 139.5780 139.8171 139.9061 139.9875 140.2152 140.5778 140.9003 141.0898 141.4046 141.5925 141.8422 142.0825 142.2774 142.5216 142.5893 143.0783 143.2372 143.3077 143.7072 143.7298 143.9985 144.2157 144.3624 144.5372 144.7742 145.1010 145.2452 145.3690 145.4866 145.6492 145.7592 145.8754 145.9216 146.1134 146.4427 146.8718 147.0154 147.1985 147.3060 147.6770 147.9191 148.0901 148.2182 148.4127 148.5182 148.8505 149.0933 149.3426 149.4509 149.6947 149.8234 149.9090 149.9612 150.3724 150.6577 150.8316 150.9060 150.9497 151.1005 151.1999 151.3429 151.7347 151.9721 152.4610 152.4982 152.6736 152.9412 153.1451 153.4923 153.7753 153.9711 154.1790 154.4550 154.7496 154.8580 154.9389 155.1804 155.7317 155.8848 156.1076 156.3003 156.4793 156.5421 156.8186 157.3422 157.5301 157.9737 158.0052 158.0557 158.1276 158.6855 159.3612 159.4693 159.4798 159.8222 160.0443 160.1063 160.2359 160.4451 160.5738 161.2144 161.7234 161.9001 163.0768 164.4981 165.5960 166.2624 166.8623 169.0087 169.8387 171.3512 171.5722 172.5861 173.3164 175.6893 175.7970 176.3236 176.5583 178.3077 179.1423 180.2313 181.7490 181.9301 182.2306 186.1206 186.6766 187.4108 187.6634 188.2317 188.9803 192.2548 192.4490 193.1844 195.5198 196.3956 196.4368 196.5330 198.9447 199.2328 204.5948 206.5103 618.3456 622.3846 627.2641 631.1027 635.8530 639.1543 639.6825 640.0309 641.1699 642.4053 642.8209 643.0210 643.5514 645.0096 646.9578 647.8444 650.0698 650.6392 651.1278 902.4920 1199.3751 1199.9765 1200.3131 1208.9576 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 -0.288584 -0.491048 -0.429615 -0.435818 -0.107406 0.131236 -0.012634 -0.125070 -0.300726 -0.275372 -0.250890 0.439815 -0.044719 0.087972 -0.229482 -0.247809 -0.064714 -0.073296 -0.077118 -0.070650 -0.133541 -0.138140 0.334838 0.334572 0.107115 0.092554 0.094187 0.096279 0.104290 0.097515 0.093856 0.100940 0.124101 0.146383 0.133991 0.094396 0.095486 0.090069 0.102735 0.096758 0.086875 0.093117 0.102214 0.093306 0.102659 0.079207 0.080571 0.078732 0.080864 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 8.2886 8.4910 8.4296 8.4358 7.1074 5.8688 6.0126 6.1251 6.3007 6.2754 6.2509 5.5602 6.0447 5.9120 6.2295 6.2478 6.0647 6.0733 6.0771 6.0706 6.1335 6.1381 5.6652 5.6654 0.8929 0.9074 0.9058 0.9037 0.8957 0.9025 0.9061 0.8991 0.8759 0.8536 0.8660 0.9056 0.9045 0.9099 0.8973 0.9032 0.9131 0.9069 0.8978 0.9067 0.8973 0.9208 0.9194 0.9213 0.9191 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 -0.2886 -0.4910 -0.4296 -0.4358 -0.1074 0.1312 -0.0126 -0.1251 -0.3007 -0.2754 -0.2509 0.4398 -0.0447 0.0880 -0.2295 -0.2478 -0.0647 -0.0733 -0.0771 -0.0706 -0.1335 -0.1381 0.3348 0.3346 0.1071 0.0926 0.0942 0.0963 0.1043 0.0975 0.0939 0.1009 0.1241 0.1464 0.1340 0.0944 0.0955 0.0901 0.1027 0.0968 0.0869 0.0931 0.1022 0.0933 0.1027 0.0792 0.0806 0.0787 0.0809 2.1126 2.0160 2.0795 2.0739 3.0879 3.6665 3.8059 3.8730 3.8933 3.9103 3.8538 4.1333 3.7104 3.8869 3.9272 3.9364 3.6632 3.7016 3.9171 3.9148 3.9159 3.9191 4.1824 4.1876 1.0194 1.0370 1.0195 1.0000 0.9995 1.0005 1.0019 1.0027 1.0056 0.9928 1.0152 0.9963 0.9953 1.0072 0.9988 0.9979 1.0081 1.0160 1.0037 1.0156 1.0043 1.0063 1.0094 1.0061 1.0092 2.1126 2.0160 2.0795 2.0739 3.0879 3.6665 3.8059 3.8730 3.8933 3.9103 3.8538 4.1333 3.7104 3.8869 3.9272 3.9364 3.6632 3.7016 3.9171 3.9148 3.9159 3.9191 4.1824 4.1876 1.0194 1.0370 1.0195 1.0000 0.9995 1.0005 1.0019 1.0027 1.0056 0.9928 1.0152 0.9963 0.9953 1.0072 0.9988 0.9979 1.0081 1.0160 1.0037 1.0156 1.0043 1.0063 1.0094 1.0061 1.0092 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1410 0.8906 1.8573 2.0104 1.9977 0.9143 1.1261 1.1043 0.9239 0.8761 0.9316 0.9214 0.9147 0.9423 1.0030 1.0346 1.0227 0.9923 0.9881 0.9945 0.9955 0.9894 0.9902 1.8440 1.0008 0.9686 0.9663 0.9712 0.9860 0.9818 0.9803 0.9996 0.9833 0.9827 1.0027 1.7388 0.9789 0.9405 0.9759 0.9604 0.9303 1.0017 0.9807 0.9281 1.0006 0.9825 0.9266 1.0062 1.0071 1.0063 1.0072 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 -0.023477162 -1094.891617765568 -21.85924 21.96756 0.10832 -18.00750 16.61827 -1.38923 -10.10226 10.17580 0.07354 1.39539 3.54680