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:1.173,-1.3912,-.4813;2.6311,-2.6342,-1.6173;-1.3337,-.5341,-2.5392;-1.2389,-1.9008,1.7873;-1.0994,-1.5772,-.4934;3.5506,.0618,.6779;3.0349,.8809,-.4582;3.3717,-.5864,-.6909;4.9912,.2809,1.0767;2.6806,-.326,1.8496;1.6518,1.4106,-.581;2.3778,-1.6327,-.9804;1.0757,2.2869,.2453;.1035,-2.2905,-.754;-.3144,2.7872,-.0118;1.7329,2.8469,1.4687;-2.698,.0784,-.6367;-2.6609,-.3134,.6385;-3.6191,1.1,-1.1902;-3.5195,.226,1.7203;-4.7336,1.3799,-.1806;-4.1919,1.5144,1.2415;-1.6595,-.6652,-1.3859;-1.6094,-1.348,.7822;3.784,1.5271,-.9116;4.2948,-.7735,-1.2267;5.0657,1.1075,1.7865;5.4037,-.608,1.5573;5.6206,.5206,.2188;2.9035,-1.3444,2.1732;2.9005,.3317,2.6913;1.615,-.2568,1.6552;1.0967,1.1049,-1.463;.1634,-3.1628,-.1038;.1123,-2.6191,-1.7923;-.3313,3.8775,-.0962;-.7388,2.3701,-.9259;-.9819,2.5315,.8166;1.194,2.551,2.3726;2.7714,2.54,1.5792;1.7096,3.9397,1.4417;-3.0525,2.012,-1.4055;-4.0296,.7658,-2.1455;-4.2683,-.5241,1.9938;-2.928,.4042,2.6211;-5.2652,2.2883,-.4673;-5.4619,.5647,-.2146;-4.9978,1.7813,1.926;-3.4651,2.3313,1.2753; 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 2229.2982101127 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 1.314e-05 Time for diagonalization 0.273 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.248 sec Total time needed 0.528 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:1.173,-1.3912,-.4813;2.6311,-2.6342,-1.6173;-1.3337,-.5341,-2.5392;-1.2389,-1.9008,1.7873;-1.0994,-1.5772,-.4934;3.5506,.0618,.6779;3.0349,.8809,-.4582;3.3717,-.5864,-.6909;4.9912,.281,1.0767;2.6806,-.326,1.8496;1.6518,1.4106,-.581;2.3778,-1.6327,-.9804;1.0757,2.2869,.2453;.1035,-2.2905,-.754;-.3144,2.7872,-.0118;1.7329,2.8469,1.4687;-2.698,.0784,-.6367;-2.6609,-.3134,.6385;-3.6191,1.1,-1.1902;-3.5195,.226,1.7203;-4.7336,1.3799,-.1806;-4.1919,1.5144,1.2415;-1.6595,-.6652,-1.3859;-1.6094,-1.348,.7822;3.784,1.5271,-.9116;4.2948,-.7735,-1.2267;5.0657,1.1075,1.7865;5.4037,-.608,1.5573;5.6206,.5206,.2188;2.9035,-1.3444,2.1732;2.9005,.3317,2.6913;1.615,-.2568,1.6552;1.0967,1.1049,-1.463;.1634,-3.1628,-.1038;.1123,-2.6191,-1.7923;-.3313,3.8775,-.0962;-.7388,2.3701,-.9259;-.9819,2.5315,.8166;1.194,2.551,2.3726;2.7714,2.54,1.5792;1.7096,3.9397,1.4417;-3.0525,2.012,-1.4055;-4.0296,.7658,-2.1455;-4.2683,-.5241,1.9938;-2.928,.4042,2.6211;-5.2652,2.2883,-.4673;-5.4619,.5647,-.2146;-4.9978,1.7813,1.926;-3.4651,2.3313,1.2753; 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:1.173,-1.3912,-.4813;2.6311,-2.6342,-1.6173;-1.3337,-.5341,-2.5392;-1.2389,-1.9008,1.7873;-1.0994,-1.5772,-.4934;3.5506,.0618,.6779;3.0349,.8809,-.4582;3.3717,-.5864,-.6909;4.9912,.2809,1.0767;2.6806,-.326,1.8496;1.6518,1.4106,-.581;2.3778,-1.6327,-.9804;1.0757,2.2869,.2453;.1035,-2.2905,-.754;-.3144,2.7872,-.0118;1.7329,2.8469,1.4687;-2.698,.0784,-.6367;-2.6609,-.3134,.6385;-3.6191,1.1,-1.1902;-3.5195,.226,1.7203;-4.7336,1.3799,-.1806;-4.1919,1.5144,1.2415;-1.6595,-.6652,-1.3859;-1.6094,-1.348,.7822;3.784,1.5271,-.9116;4.2948,-.7735,-1.2267;5.0657,1.1075,1.7865;5.4037,-.608,1.5573;5.6206,.5206,.2188;2.9035,-1.3444,2.1732;2.9005,.3317,2.6913;1.615,-.2568,1.6552;1.0967,1.1049,-1.463;.1634,-3.1628,-.1038;.1123,-2.6191,-1.7923;-.3313,3.8775,-.0962;-.7388,2.3701,-.9259;-.9819,2.5315,.8166;1.194,2.551,2.3726;2.7714,2.54,1.5792;1.7096,3.9397,1.4417;-3.0525,2.012,-1.4055;-4.0296,.7658,-2.1455;-4.2683,-.5241,1.9938;-2.928,.4042,2.6211;-5.2652,2.2883,-.4673;-5.4619,.5647,-.2146;-4.9978,1.7813,1.926;-3.4651,2.3313,1.2753; 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 2912 GEPOL Volume 2263.7458 GEPOL Surface-area 1324.5478 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.86411989 2229.29821011 -3324.16233001 -5920.13413306 2595.97180305 -0.03864281 -2184.90457486 1090.04045497 2.00442522 88.999752827856 88.999752827856 177.999505655712 -105.975810801903 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 -524.8565 -523.6932 -523.6903 -523.1152 -393.9790 -283.5097 -283.4060 -283.3994 -282.4153 -280.4864 -280.4615 -280.2978 -279.9740 -279.9627 -279.7423 -279.7350 -279.7125 -279.4207 -279.4152 -279.2489 -279.1523 -279.1254 -279.1200 -279.1054 -33.9529 -32.9614 -32.4536 -31.2432 -29.7893 -27.3515 -26.8287 -25.1140 -24.9123 -23.8635 -23.4278 -22.9399 -22.0137 -21.7896 -21.7172 -21.3318 -20.8655 -20.1525 -19.7518 -19.0471 -18.4193 -18.1818 -17.9466 -17.0303 -16.5828 -16.4457 -16.3766 -16.1476 -16.0704 -15.6772 -15.5084 -15.3312 -15.1236 -15.0375 -14.6382 -14.6012 -14.4726 -14.2953 -14.0359 -13.9841 -13.9191 -13.7868 -13.6765 -13.5118 -13.1216 -13.0341 -12.9506 -12.8852 -12.7074 -12.4041 -12.2540 -11.8330 -11.6366 -11.6271 -11.4931 -11.3665 -11.3056 -11.2302 -10.9135 -10.7055 -10.3318 -10.2767 -9.9315 -9.6423 -8.6716 -0.4696 2.0502 2.6087 2.9158 3.0590 3.4722 3.7882 3.8602 3.9930 4.2297 4.3366 4.3875 4.6097 4.6840 4.8757 4.9626 5.1269 5.1485 5.3132 5.3527 5.3815 5.5416 5.7331 5.7911 5.8648 5.9752 6.0218 6.1481 6.2409 6.3784 6.4616 6.5513 6.7110 6.8109 6.8965 7.1059 7.1374 7.2506 7.4114 7.4619 7.5496 7.5864 7.8128 7.8790 7.9339 8.0169 8.0908 8.4042 8.4327 8.4999 8.8073 8.9481 8.9544 9.1827 9.2451 9.3812 9.5471 9.6248 9.7217 9.8643 10.0439 10.1338 10.3429 10.4593 10.6088 10.6276 10.6951 10.8065 11.0441 11.1470 11.2558 11.3102 11.4748 11.6682 11.7124 11.9941 12.1064 12.2319 12.3300 12.5053 12.6458 12.7490 12.8173 12.9642 13.0392 13.1453 13.2426 13.3876 13.5028 13.5639 13.6445 13.6946 13.7668 13.8358 13.9829 14.1148 14.2373 14.2823 14.3168 14.4165 14.4722 14.5621 14.5737 14.7045 14.7724 14.8736 14.9357 14.9798 15.0457 15.1413 15.2304 15.4044 15.4385 15.5332 15.7095 15.7338 15.7815 15.8192 15.8665 15.9961 16.1106 16.2202 16.3511 16.4728 16.5185 16.7084 16.7654 16.9301 17.0351 17.1190 17.2268 17.2998 17.4973 17.5325 17.7226 17.7628 17.8383 18.0469 18.1378 18.3928 18.5602 18.6538 18.7349 18.8988 18.9979 19.1673 19.4051 19.7374 19.9152 20.0310 20.1553 20.2513 20.3113 20.5432 20.8828 20.9932 21.2898 21.3413 21.5685 21.5875 21.7303 21.9205 22.1143 22.2743 22.4641 22.6264 22.7646 22.8919 23.0529 23.2304 23.4117 23.5631 23.6528 23.8633 24.0059 24.2214 24.4193 24.4570 24.5962 24.7488 24.8686 25.1377 25.3773 25.4412 25.6063 25.6793 25.9427 26.1618 26.2759 26.3016 26.5815 26.6385 26.8377 27.1131 27.2704 27.3917 27.5404 27.6357 27.8429 28.1544 28.2586 28.4721 28.5240 28.7289 28.7671 29.0093 29.2060 29.2172 29.4270 29.4454 29.5127 29.6593 29.8632 29.9900 30.2209 30.2651 30.3244 30.4994 30.5363 30.6728 30.8614 30.9991 31.0560 31.1759 31.2855 31.4629 31.6118 31.6982 31.8248 31.9890 32.1956 32.2486 32.3442 32.6352 32.7354 32.7858 33.0444 33.1323 33.1858 33.4235 33.4641 33.5785 33.7539 33.8666 34.0155 34.1721 34.2063 34.3207 34.5054 34.5454 34.6689 34.8474 34.9437 35.0140 35.3685 35.4614 35.7315 35.8348 35.9129 36.0785 36.3912 36.4520 36.5366 36.6549 36.8872 36.9401 37.0860 37.2487 37.3632 37.5193 37.6704 37.8984 38.0894 38.2495 38.4546 38.5821 38.7562 38.8708 38.9216 38.9986 39.3030 39.4878 39.6711 39.8620 39.9361 40.0199 40.1437 40.2850 40.5121 40.6653 40.7429 40.9063 40.9980 41.0555 41.2557 41.5951 41.7236 41.9151 42.0499 42.1043 42.2214 42.2614 42.4721 42.5031 42.6457 42.7968 42.9585 42.9859 43.1021 43.2885 43.4796 43.5808 43.6920 43.8605 44.0164 44.0831 44.1529 44.3528 44.4352 44.5068 44.5538 44.7273 44.8560 45.0852 45.3081 45.4015 45.5627 45.8026 46.1111 46.1761 46.2719 46.6058 46.6447 46.7814 46.8833 46.9760 47.0848 47.2638 47.4137 47.4951 47.7530 47.7886 48.0009 48.1414 48.3140 48.4039 48.6205 48.7468 48.8012 49.0179 49.3134 49.5637 49.7046 49.9697 50.1215 50.3139 50.4823 50.9660 51.0162 51.2020 51.4662 51.7020 52.0409 52.2477 52.5227 52.7270 52.9033 53.4315 53.7261 53.8302 54.1243 54.1760 54.3756 54.6777 55.0764 55.3604 55.6148 55.8103 56.0167 56.2935 56.4969 56.7831 56.9290 57.0733 57.2622 57.4829 57.6495 57.7673 58.4413 58.7901 59.0956 59.3866 59.7439 59.9477 60.2403 60.4666 60.5376 60.8855 61.1548 61.2671 61.7106 61.7959 62.2259 62.4988 62.6688 62.9282 62.9782 63.2792 63.3774 63.3892 63.8770 64.0101 64.0966 64.2648 64.5158 64.8802 65.1436 65.2925 65.7861 66.0464 66.2913 66.6267 67.0639 67.1516 67.8288 68.0500 68.1825 68.3303 68.7553 68.7967 69.0294 69.5214 69.6334 70.1700 70.4094 70.6887 71.1457 71.3214 71.4644 71.5983 71.8633 72.0433 72.2034 72.4215 72.5452 72.8921 73.0965 73.2167 73.2681 73.5266 73.7975 73.9070 74.1135 74.2331 74.4376 74.9752 75.0051 75.1479 75.4279 75.5225 75.6067 75.8291 75.9226 76.0581 76.2889 76.5814 76.6167 76.9142 77.0860 77.1699 77.4253 77.6823 77.8094 78.0294 78.2217 78.2950 78.3505 78.8146 78.9293 78.9493 79.2522 79.3148 79.4396 79.7447 79.7526 79.8875 79.9773 80.0597 80.3090 80.3825 80.4593 80.8483 80.9043 81.2039 81.2868 81.4978 81.6046 81.8028 81.9721 82.0718 82.1265 82.2367 82.3622 82.4630 82.8326 82.8745 83.1334 83.3637 83.4251 83.5428 83.7301 83.9872 84.1829 84.2978 84.3600 84.5233 84.6145 84.7449 84.8258 84.9485 85.0839 85.2209 85.3698 85.5855 85.7332 85.8464 85.9272 86.0099 86.1484 86.2369 86.4303 86.6085 86.7491 86.8035 86.9964 87.2212 87.3615 87.4352 87.5788 87.6638 87.7016 87.8929 88.0218 88.1535 88.4444 88.4572 88.5820 88.6493 88.8533 88.9263 89.0216 89.0768 89.2544 89.3776 89.5363 89.6723 89.8012 90.0199 90.1948 90.4633 90.5129 90.7775 90.8294 90.8840 90.9990 91.2012 91.2879 91.4514 91.5217 91.8162 92.0094 92.1303 92.2967 92.4049 92.6280 92.6653 92.9240 93.0125 93.2002 93.2275 93.3967 93.4224 93.5903 93.7780 93.9764 94.1465 94.3083 94.3797 94.5830 94.7506 94.8405 94.8951 95.0580 95.1266 95.1927 95.5323 95.5388 95.6406 95.8204 96.0314 96.0505 96.3269 96.7651 96.7777 96.9097 97.0569 97.1125 97.3202 97.4296 97.4931 97.5897 97.7139 97.9260 98.0626 98.2168 98.2840 98.3474 98.5266 98.7789 98.9257 98.9597 99.1842 99.3195 99.5059 99.6651 99.7642 99.9161 100.0736 100.3122 100.4658 100.4787 100.8213 100.9310 101.0386 101.1324 101.4741 101.6436 101.8217 101.9735 102.0727 102.2008 102.5139 102.6092 102.6540 102.7419 103.0204 103.0607 103.2788 103.5421 103.6183 103.7904 103.8287 103.9411 104.1963 104.3098 104.5126 104.6811 104.8226 104.9301 105.0449 105.3360 105.4171 105.5788 105.7336 106.0974 106.1885 106.3698 106.7726 106.8659 107.1479 107.4295 107.5588 107.6118 107.7782 107.9319 108.0462 108.3945 108.5762 108.6216 108.9709 109.2682 109.3383 109.5287 109.5980 109.6411 110.0464 110.2212 110.4186 110.4712 110.7560 110.8949 111.0643 111.0756 111.1295 111.3418 111.5763 111.7287 111.7815 111.9311 112.1404 112.1714 112.3248 112.4402 112.6791 112.7563 112.9449 113.2147 113.4169 113.5769 113.6614 113.9455 114.0433 114.2987 114.3615 114.7223 114.7533 114.8638 114.9913 115.1462 115.2041 115.2828 115.3611 115.5974 115.6352 115.7162 115.9303 116.0732 116.1196 116.4357 116.4792 116.6081 116.7777 116.8659 117.0144 117.1174 117.4218 117.5221 117.6597 117.8231 118.0716 118.1416 118.3069 118.4318 118.6079 118.7112 118.8012 118.9933 119.2081 119.4540 119.7151 119.7609 120.0079 120.0418 120.2493 120.3676 120.6974 120.8105 121.0048 121.1388 121.3851 121.5843 121.7046 121.8852 122.0799 122.3759 122.4488 122.5752 123.0625 123.2905 123.4749 123.5918 123.8830 124.1256 124.2973 124.3777 124.6720 124.7931 125.3276 125.5697 125.6942 126.1561 126.2650 126.3377 126.5872 126.6861 126.8409 127.2051 127.3063 127.7518 127.8859 128.0459 128.2340 128.6429 128.6786 128.9221 129.0200 129.2571 129.3241 129.6191 129.7911 129.9870 130.2567 130.5635 130.8105 131.1310 131.2755 131.4141 131.5572 131.8354 132.1164 132.2451 132.3510 132.6118 132.9127 133.2380 133.3647 133.8256 134.1531 134.3114 134.4642 134.5776 134.8273 135.0784 135.1313 135.4642 135.5752 135.8856 136.0137 136.3414 136.9034 137.0048 137.1947 137.5126 137.5613 137.7317 138.0280 138.3128 138.9925 139.0975 139.4436 139.6443 139.9442 140.1062 140.3897 140.7923 140.8199 141.2481 141.3859 141.4964 141.7260 142.0475 142.0950 142.2648 142.3491 142.6476 142.9710 143.3568 143.5716 143.8949 143.9434 144.1087 144.3361 144.4540 144.7115 145.0681 145.1263 145.3543 145.6745 145.7526 145.8141 145.9253 146.1260 146.4465 146.6690 146.8760 146.9847 147.1459 147.5130 147.5781 147.8727 147.9839 148.1527 148.5679 148.7310 148.9263 149.2019 149.2232 149.5771 149.9490 149.9842 150.1783 150.4254 150.4837 150.6858 150.8392 150.8726 151.0651 151.3298 151.3701 151.4844 151.6167 151.9851 152.2946 152.4693 152.7580 152.8302 153.0184 153.2082 153.3751 153.6270 154.0092 154.2458 154.4197 154.6599 154.9008 155.0544 155.5219 155.8308 156.0437 156.3438 156.5005 156.6893 156.9393 157.4783 157.6338 158.0722 158.3186 158.4165 158.5377 158.8354 158.9723 159.3380 159.5020 159.6891 159.9669 159.9961 160.4911 160.7280 160.8918 161.4375 161.9274 162.1150 162.5347 163.4287 165.3861 166.0134 166.4498 166.8290 169.3339 170.1803 171.3331 171.8467 172.7490 173.8828 175.7135 175.7697 175.9718 176.5131 176.5648 179.2904 180.2088 180.8770 181.7304 182.0375 186.7541 187.5817 187.6383 187.9791 188.6251 188.8891 191.9844 193.2787 193.9693 195.1678 195.8009 196.3675 196.7199 198.8676 199.1663 206.4849 207.5573 619.4782 622.1477 626.7523 632.4460 635.8328 637.3070 640.2993 641.3765 641.7890 642.6150 643.0331 643.7035 644.0323 645.4038 646.8147 648.2990 649.8114 651.1060 652.0633 901.6757 1197.9954 1200.1073 1200.9691 1211.7177 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 -0.251523 -0.501849 -0.432141 -0.433495 -0.096263 0.078948 0.007843 -0.095522 -0.275197 -0.284763 -0.272796 0.413660 -0.011747 0.072169 -0.245169 -0.267253 -0.074800 -0.035757 -0.082663 -0.069022 -0.124879 -0.153485 0.302190 0.317312 0.115683 0.094386 0.091997 0.099293 0.088703 0.117288 0.096686 0.087207 0.118983 0.141702 0.128788 0.111001 0.088050 0.091180 0.102387 0.094495 0.107970 0.107915 0.101342 0.106032 0.094593 0.081839 0.079945 0.085451 0.083284 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 8.2515 8.5018 8.4321 8.4335 7.0963 5.9211 5.9922 6.0955 6.2752 6.2848 6.2728 5.5863 6.0117 5.9278 6.2452 6.2673 6.0748 6.0358 6.0827 6.0690 6.1249 6.1535 5.6978 5.6827 0.8843 0.9056 0.9080 0.9007 0.9113 0.8827 0.9033 0.9128 0.8810 0.8583 0.8712 0.8890 0.9120 0.9088 0.8976 0.9055 0.8920 0.8921 0.8987 0.8940 0.9054 0.9182 0.9201 0.9145 0.9167 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 -0.2515 -0.5018 -0.4321 -0.4335 -0.0963 0.0789 0.0078 -0.0955 -0.2752 -0.2848 -0.2728 0.4137 -0.0117 0.0722 -0.2452 -0.2673 -0.0748 -0.0358 -0.0827 -0.0690 -0.1249 -0.1535 0.3022 0.3173 0.1157 0.0944 0.0920 0.0993 0.0887 0.1173 0.0967 0.0872 0.1190 0.1417 0.1288 0.1110 0.0880 0.0912 0.1024 0.0945 0.1080 0.1079 0.1013 0.1060 0.0946 0.0818 0.0799 0.0855 0.0833 2.1029 1.9974 2.0640 2.0686 3.1412 3.7033 3.7684 3.8611 3.9146 3.8842 3.8465 4.1094 3.6559 3.8997 3.9401 3.9401 3.6411 3.6535 3.9120 3.9022 3.8999 3.9180 4.1613 4.1717 1.0040 1.0261 1.0031 1.0000 1.0055 1.0012 0.9992 1.0074 1.0171 0.9992 1.0102 0.9989 1.0057 0.9942 0.9949 1.0034 1.0008 1.0046 1.0165 1.0034 1.0162 1.0101 1.0068 1.0109 1.0069 2.1029 1.9974 2.0640 2.0686 3.1412 3.7033 3.7684 3.8611 3.9146 3.8842 3.8465 4.1094 3.6559 3.8997 3.9401 3.9401 3.6411 3.6535 3.9120 3.9022 3.8999 3.9180 4.1613 4.1717 1.0040 1.0261 1.0031 1.0000 1.0055 1.0012 0.9992 1.0074 1.0171 0.9992 1.0102 0.9989 1.0057 0.9942 0.9949 1.0034 1.0008 1.0046 1.0165 1.0034 1.0162 1.0101 1.0068 1.0109 1.0069 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.1627 0.8857 1.8499 1.9869 1.9840 0.9721 1.1261 1.1166 0.9489 0.8670 0.9430 0.9058 0.9212 0.9344 1.0019 1.0364 1.0214 0.9922 0.9944 0.9842 0.9874 0.9970 1.0020 1.8399 0.9943 0.9592 0.9481 0.9686 0.9729 0.9833 0.9962 0.9780 0.9862 1.0095 0.9831 1.7071 0.9751 0.9413 0.9809 0.9619 0.9247 0.9850 0.9981 0.9237 0.9803 1.0014 0.9189 1.0073 1.0068 1.0071 1.0126 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 -0.029324324 -1094.893444216547 2.77743 -4.44602 -1.66858 22.40080 -20.11182 2.28897 12.84376 -11.47806 1.36570 3.14463 7.99302