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:.3575,.6338,.4591;1.8617,1.0973,2.0402;-2.5437,2.4872,.0284;-1.8602,-1.8749,1.0981;-1.9053,.4106,.8021;3.7804,1.5331,-.4197;3.9989,.181,.1569;2.5815,.6199,-.1969;4.0072,2.7463,.4478;4.1234,1.7755,-1.8699;4.6402,-.9314,-.5829;1.611,.8196,.8877;4.505,-2.2132,-.2321;-.6795,.749,1.4334;5.2131,-3.31,-.9631;3.6453,-2.6245,.9301;-3.8473,.4984,-.433;-3.6495,-.782,-.1158;-4.9957,1.0158,-1.2153;-4.5548,-1.9004,-.4743;-5.7201,-.1505,-1.8894;-5.8975,-1.3371,-.9433;-2.7305,1.3003,.1229;-2.3894,-.8855,.6581;4.1778,.1746,1.2299;2.161,.1958,-1.1014;3.8231,2.5622,1.5027;3.3765,3.5786,.1325;5.0449,3.0686,.3524;3.9113,.9143,-2.5028;5.1825,2.0169,-1.9785;3.5511,2.619,-2.2593;5.2724,-.6787,-1.4288;-.7394,1.7674,1.8146;-.505,.0687,2.2657;5.8576,-3.8771,-.2864;5.8295,-2.9303,-1.7777;4.5009,-4.0263,-1.3804;2.6655,-2.1431,.9054;4.106,-2.3516,1.8832;3.4852,-3.7024,.9489;-5.6714,1.5572,-.546;-4.6553,1.7445,-1.9544;-4.0903,-2.5028,-1.2612;-4.6879,-2.5691,.3789;-6.6913,.1865,-2.2526;-5.15,-.4687,-2.7663;-6.4714,-2.124,-1.4334;-6.4778,-1.0213,-.0722; 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 2053.6010657393 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 1.530e-05 Time for diagonalization 0.278 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.255 sec Total time needed 0.539 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:.3575,.6338,.4591;1.8617,1.0973,2.0402;-2.5437,2.4872,.0284;-1.8602,-1.8749,1.0981;-1.9053,.4106,.8021;3.7804,1.533,-.4197;3.9989,.181,.1569;2.5815,.6199,-.1969;4.0072,2.7463,.4478;4.1234,1.7755,-1.8699;4.6401,-.9314,-.5829;1.611,.8196,.8877;4.505,-2.2132,-.2321;-.6795,.749,1.4334;5.2131,-3.3101,-.9631;3.6453,-2.6245,.9301;-3.8473,.4984,-.433;-3.6495,-.782,-.1158;-4.9957,1.0158,-1.2153;-4.5548,-1.9004,-.4743;-5.7201,-.1505,-1.8894;-5.8975,-1.3371,-.9433;-2.7305,1.3003,.1229;-2.3894,-.8855,.6581;4.1778,.1746,1.2299;2.161,.1958,-1.1014;3.8231,2.5622,1.5027;3.3765,3.5786,.1325;5.0449,3.0686,.3524;3.9113,.9143,-2.5028;5.1825,2.0169,-1.9785;3.5511,2.619,-2.2593;5.2724,-.6787,-1.4288;-.7394,1.7674,1.8146;-.505,.0687,2.2657;5.8576,-3.8771,-.2864;5.8295,-2.9303,-1.7777;4.5009,-4.0263,-1.3804;2.6655,-2.1431,.9054;4.106,-2.3516,1.8832;3.4852,-3.7024,.9489;-5.6714,1.5572,-.546;-4.6553,1.7445,-1.9544;-4.0903,-2.5028,-1.2612;-4.6879,-2.5691,.3789;-6.6913,.1865,-2.2526;-5.15,-.4687,-2.7663;-6.4714,-2.124,-1.4334;-6.4778,-1.0213,-.0722; 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:.3575,.6338,.4591;1.8617,1.0973,2.0402;-2.5437,2.4872,.0284;-1.8602,-1.8749,1.0981;-1.9053,.4106,.8021;3.7804,1.5331,-.4197;3.9989,.181,.1569;2.5815,.6199,-.1969;4.0072,2.7463,.4478;4.1234,1.7755,-1.8699;4.6402,-.9314,-.5829;1.611,.8196,.8877;4.505,-2.2132,-.2321;-.6795,.749,1.4334;5.2131,-3.31,-.9631;3.6453,-2.6245,.9301;-3.8473,.4984,-.433;-3.6495,-.782,-.1158;-4.9957,1.0158,-1.2153;-4.5548,-1.9004,-.4743;-5.7201,-.1505,-1.8894;-5.8975,-1.3371,-.9433;-2.7305,1.3003,.1229;-2.3894,-.8855,.6581;4.1778,.1746,1.2299;2.161,.1958,-1.1014;3.8231,2.5622,1.5027;3.3765,3.5786,.1325;5.0449,3.0686,.3524;3.9113,.9143,-2.5028;5.1825,2.0169,-1.9785;3.5511,2.619,-2.2593;5.2724,-.6787,-1.4288;-.7394,1.7674,1.8146;-.505,.0687,2.2657;5.8576,-3.8771,-.2864;5.8295,-2.9303,-1.7777;4.5009,-4.0263,-1.3804;2.6655,-2.1431,.9054;4.106,-2.3516,1.8832;3.4852,-3.7024,.9489;-5.6714,1.5572,-.546;-4.6553,1.7445,-1.9544;-4.0903,-2.5028,-1.2612;-4.6879,-2.5691,.3789;-6.6913,.1865,-2.2526;-5.15,-.4687,-2.7663;-6.4714,-2.124,-1.4334;-6.4778,-1.0213,-.0722; 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 2935 GEPOL Volume 2257.1359 GEPOL Surface-area 1345.1806 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.86903770 2053.60106574 -3148.47010344 -5569.35005701 2420.87995357 -0.03603832 -2184.90868875 1090.03965105 2.00443047 88.999937196890 88.999937196890 177.999874393780 -105.972070781656 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 -524.8961 -523.6807 -523.6779 -523.1637 -393.9957 -283.4939 -283.4045 -283.3996 -282.3919 -280.4794 -280.4555 -280.3109 -279.9969 -279.9137 -279.7416 -279.7382 -279.7357 -279.4160 -279.4104 -279.1952 -279.1669 -279.1496 -279.1455 -279.1231 -33.8944 -32.9664 -32.4517 -31.2602 -29.8013 -27.3737 -26.8403 -25.1518 -24.9293 -23.8616 -23.4443 -22.9374 -22.0479 -21.8197 -21.7255 -21.3516 -20.9082 -20.0822 -19.7581 -18.7406 -18.4252 -17.9774 -17.9256 -17.1939 -16.7897 -16.5756 -16.3534 -16.2160 -16.0774 -15.6689 -15.5047 -15.4096 -15.1177 -14.9950 -14.6186 -14.4750 -14.4674 -14.2788 -14.0244 -13.9947 -13.9393 -13.7234 -13.5516 -13.4288 -13.3281 -13.0786 -13.0096 -12.9488 -12.7814 -12.4534 -12.3249 -12.0185 -11.6266 -11.6047 -11.4664 -11.4031 -11.3399 -11.1249 -10.9083 -10.6821 -10.4752 -10.3071 -10.0272 -9.6397 -8.5837 -0.4570 1.8416 2.7849 3.1228 3.1736 3.3656 3.7857 3.8689 4.1234 4.1921 4.2886 4.4500 4.4713 4.6779 4.7174 4.8727 5.0410 5.1372 5.2369 5.3392 5.3729 5.4561 5.6383 5.6695 5.7534 5.8687 5.9557 6.0614 6.2035 6.3243 6.3595 6.4484 6.5487 6.6804 6.8218 6.8553 6.9929 7.0588 7.1152 7.2402 7.2986 7.4790 7.5442 7.6923 7.7448 7.8652 7.9380 8.0170 8.2064 8.2551 8.4935 8.6867 8.8075 8.8522 9.0285 9.2027 9.3002 9.4452 9.5643 9.6393 9.8754 9.9060 9.9968 10.1169 10.2018 10.2983 10.5399 10.5755 10.6985 10.7468 10.8773 11.0270 11.1429 11.2314 11.3518 11.5433 11.7539 12.0115 12.1339 12.2271 12.2584 12.3759 12.4696 12.5879 12.7561 12.8115 12.9860 13.1681 13.2110 13.2599 13.3650 13.3885 13.4852 13.5615 13.6563 13.7133 13.7616 13.8638 13.9466 14.1185 14.1599 14.2923 14.3519 14.4273 14.4755 14.5724 14.6638 14.6949 14.7229 14.7789 14.8111 14.8963 14.9752 15.1917 15.2178 15.2998 15.3939 15.5095 15.5329 15.5482 15.5778 15.6502 15.8665 15.9677 16.0423 16.2492 16.3469 16.4830 16.5962 16.6589 16.8424 16.9175 16.9880 17.1097 17.1425 17.5200 17.5823 17.7101 17.9579 18.0102 18.1357 18.3153 18.4731 18.4838 18.6170 18.8376 18.9019 18.9841 19.1270 19.3083 19.4806 19.8219 20.0355 20.1788 20.2304 20.3794 20.5905 20.7955 20.9255 21.0096 21.0839 21.3710 21.6058 21.7376 21.7725 22.0813 22.3343 22.3994 22.5651 22.6549 22.8007 22.9213 23.0309 23.5231 23.6684 23.6930 23.8696 23.9268 24.2262 24.4234 24.6422 24.7125 24.9722 25.0498 25.1633 25.2557 25.4846 25.6603 25.7133 26.0097 26.1647 26.2762 26.3117 26.4755 26.5734 26.7204 26.7900 27.0142 27.2388 27.3663 27.6303 27.6915 28.0924 28.2160 28.2609 28.3289 28.4734 28.5811 28.6739 29.0011 29.1136 29.2019 29.3628 29.4755 29.5438 29.6895 29.7658 29.9121 30.0253 30.2085 30.3379 30.3498 30.4690 30.5816 30.8067 30.8515 30.9405 31.0676 31.2330 31.3034 31.4954 31.5497 31.6874 31.8562 31.9371 32.1720 32.3305 32.5820 32.7647 33.0049 33.0940 33.2019 33.2806 33.4004 33.5792 33.6313 33.7115 33.7737 33.9368 34.0169 34.0342 34.2782 34.2907 34.5788 34.6100 34.8191 35.0605 35.3263 35.5129 35.6473 35.7280 35.8104 35.9093 36.0769 36.3193 36.4953 36.6777 36.6974 36.9080 37.0683 37.2286 37.3112 37.3882 37.5433 37.7961 37.9586 38.2297 38.2872 38.4415 38.6866 38.7289 38.8987 39.0578 39.3682 39.4507 39.6240 39.8419 40.0166 40.1379 40.2318 40.2628 40.3917 40.5184 40.7596 41.0267 41.0434 41.2549 41.3866 41.5426 41.7033 41.8298 41.9857 42.1464 42.2332 42.3517 42.4166 42.6137 42.7735 42.9081 43.0270 43.0554 43.1281 43.3241 43.4292 43.5000 43.5159 43.6675 43.7946 43.8422 43.9645 44.0294 44.3088 44.4536 44.6168 44.6829 44.7065 44.8443 44.9403 45.2136 45.3831 45.6400 45.8181 46.0281 46.0469 46.2485 46.2925 46.5630 46.7348 46.8048 46.9281 47.1325 47.3402 47.4076 47.4607 47.6040 47.8198 47.8894 47.9485 48.0362 48.2484 48.5794 48.5935 48.8917 48.9919 49.0940 49.2289 49.7758 49.8602 50.1268 50.2812 50.5550 50.8273 51.1431 51.3558 51.6116 51.8141 51.9640 52.3356 52.4106 52.8041 53.1795 53.5204 53.7175 53.8709 53.9255 54.0000 54.3154 54.7167 55.1620 55.5802 55.7278 56.2813 56.4052 56.6465 56.8777 57.0385 57.5415 57.6960 57.8337 58.2649 58.3417 58.5513 58.7320 59.1003 59.6488 59.8452 60.0985 60.4251 60.6308 60.8364 60.9014 61.0932 61.2058 61.6002 61.9687 62.2418 62.3458 62.6911 62.8548 63.1494 63.2568 63.5203 64.0154 64.0290 64.2695 64.6890 64.7686 65.2338 65.4266 65.9419 66.1617 66.2168 66.8301 66.9684 67.2652 67.6019 67.7914 68.1819 68.4332 68.4970 68.7574 69.1186 69.5337 69.8263 70.1173 70.3313 70.5597 70.9177 71.0003 71.0857 71.1925 71.4299 71.8316 71.9077 71.9714 72.0707 72.2613 72.4842 72.7420 73.0896 73.1755 73.2831 73.6470 73.8610 74.0764 74.3474 74.6719 74.7493 75.0728 75.1939 75.4010 75.4986 75.5752 75.6467 75.7844 75.9860 76.2752 76.5105 76.9336 77.0737 77.1998 77.4510 77.6234 77.8318 77.9909 78.0143 78.1589 78.5205 78.7105 78.9051 78.9986 79.0150 79.1677 79.1866 79.3037 79.3538 79.5678 79.7325 79.8647 79.9584 80.1292 80.4860 80.6031 80.6646 80.7932 80.9392 81.0478 81.2346 81.3477 81.5220 81.5898 81.7997 81.9141 81.9568 82.1130 82.4246 82.4807 82.6387 82.7545 82.9522 83.0954 83.2435 83.4864 83.6793 83.8465 84.0644 84.1153 84.2222 84.2560 84.3069 84.5198 84.7531 84.9746 85.0364 85.2298 85.3107 85.5225 85.5753 85.7035 85.8398 85.9380 86.1030 86.2535 86.3995 86.4569 86.5470 86.7339 86.8212 86.9812 87.1911 87.4258 87.6186 87.6522 87.7631 87.8318 88.1195 88.1778 88.2974 88.4508 88.5588 88.6714 88.8224 88.8870 88.9853 89.1216 89.3333 89.4728 89.5585 89.6821 89.8826 90.0553 90.0913 90.4467 90.5886 90.6350 90.7588 90.9027 90.9727 91.1011 91.2917 91.6658 91.8273 91.9124 91.9369 92.1083 92.2891 92.4817 92.6430 92.7881 92.8093 93.0342 93.1559 93.3470 93.3907 93.5068 93.6350 93.6946 94.1452 94.2943 94.4741 94.5376 94.6225 94.6557 94.8500 95.0230 95.1239 95.1730 95.3094 95.4118 95.4691 95.6255 95.7439 95.8776 95.9937 96.3056 96.3506 96.5192 96.6613 96.8479 97.0926 97.2570 97.3584 97.5233 97.6358 97.7130 98.0002 98.0316 98.1494 98.2762 98.4450 98.6127 98.6649 98.8743 99.0440 99.3412 99.4144 99.7265 99.8423 99.9077 100.0161 100.1051 100.3834 100.5313 100.7347 100.7585 100.9207 101.0038 101.1094 101.4130 101.8299 101.9439 102.0410 102.2091 102.4467 102.5487 102.6838 102.8388 103.0338 103.0730 103.3410 103.4751 103.6783 103.8048 104.1022 104.2438 104.2914 104.5483 104.6295 104.7807 105.0291 105.2717 105.3853 105.4734 105.6090 105.7784 105.9426 106.3018 106.5295 106.7121 106.9464 106.9841 107.2489 107.3903 107.6083 107.7363 107.8225 108.1508 108.3142 108.4649 108.5439 108.7001 108.8162 108.9016 109.1233 109.4255 109.7768 109.9218 109.9517 110.0730 110.2112 110.3401 110.6141 110.7282 110.8452 110.9598 111.0198 111.0759 111.3862 111.5479 111.7299 111.9058 112.0227 112.1721 112.2863 112.3315 112.7081 113.0528 113.0911 113.1128 113.2844 113.3396 113.5740 113.6577 113.7986 113.9934 114.0696 114.2957 114.5364 114.6760 114.7010 114.8537 115.0254 115.0668 115.2793 115.3718 115.4225 115.5223 115.6849 115.9938 116.0627 116.2587 116.3687 116.4551 116.5713 116.5760 116.8223 116.8852 117.0319 117.3918 117.4323 117.5042 117.6051 117.6961 117.8980 118.1278 118.1959 118.3330 118.7566 118.8868 119.0031 119.2227 119.4034 119.6282 119.8224 120.1298 120.1842 120.2510 120.6014 120.7346 121.0829 121.3123 121.4052 121.7778 122.0540 122.2974 122.3158 122.3920 122.4953 122.8484 123.0790 123.1571 123.3019 123.6758 123.9839 124.0888 124.2594 124.3666 124.4046 125.0383 125.3018 125.5012 125.7330 125.9282 126.0368 126.2764 126.3837 126.6585 126.8290 126.9893 127.3501 127.5141 127.7413 127.9952 128.3547 128.5482 128.7232 129.0903 129.3774 129.4742 129.6407 129.8008 129.8662 130.2927 130.3538 130.7247 130.8373 131.2429 131.2994 131.6322 131.7629 132.2020 132.3531 132.4635 132.5608 132.6021 132.9379 133.1882 133.7319 133.8785 134.1429 134.3117 134.4081 134.5069 134.6398 134.8004 135.5195 135.5753 135.9465 136.1927 136.4010 136.9592 136.9973 137.6554 137.8258 138.0620 138.4971 138.6936 138.8809 139.0380 139.4565 139.5436 139.6662 139.8232 139.9466 140.0237 140.6338 140.6995 140.8501 141.1668 141.5903 141.8161 141.8825 142.3046 142.5009 142.8306 143.1210 143.2735 143.4834 143.5783 143.7026 143.8092 143.9053 144.0002 144.2964 144.5188 144.6803 145.1311 145.1957 145.5227 145.6929 145.7828 145.9889 146.1367 146.4733 146.5601 146.8528 146.8644 147.2701 147.5079 147.8002 147.8804 148.2481 148.3170 148.4419 148.7974 148.9479 149.0962 149.1158 149.2299 149.5617 149.8084 150.0444 150.4635 150.5678 150.6235 150.8175 150.9167 151.0567 151.0926 151.3384 151.4059 151.5013 151.9477 152.3416 152.4583 152.6217 152.6781 152.8940 153.2782 153.5555 153.6441 153.9038 154.3430 154.4772 154.7241 154.8476 155.1804 155.6650 155.8691 156.2946 156.3652 156.4143 156.6286 156.9098 156.9181 157.7322 157.8925 157.9284 158.0118 158.0241 158.7276 158.9547 159.1048 159.3327 159.4616 159.8244 159.9216 159.9980 160.4639 160.4861 161.4514 161.9504 162.5574 163.2853 164.8805 165.4719 166.6929 166.7451 168.2343 170.3070 170.9021 171.2969 172.3634 173.1516 175.5302 175.8534 176.2480 176.3226 177.7965 178.2284 180.1076 181.5500 181.8321 182.2437 185.9365 186.8699 187.3251 187.9211 187.9571 188.8747 192.1091 192.3622 192.8239 195.0763 195.8420 196.3536 196.3977 199.1396 199.2201 205.0630 206.7568 617.9943 622.3281 625.8900 631.7927 635.6714 639.7577 640.0348 640.8487 641.1302 642.4137 642.9505 643.1377 644.1596 644.6390 646.8465 648.1878 649.7043 650.2149 651.2060 902.6928 1198.7752 1199.5817 1200.3683 1209.9953 -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 -0.284872 -0.502504 -0.433535 -0.436018 -0.112572 0.150027 -0.029029 -0.081919 -0.274054 -0.289285 -0.288981 0.411143 -0.000682 0.086427 -0.225447 -0.283744 -0.072302 -0.068601 -0.069879 -0.071745 -0.134700 -0.135533 0.338737 0.343309 0.100665 0.094145 0.091320 0.099851 0.096586 0.091275 0.101178 0.099937 0.127989 0.134251 0.130831 0.099822 0.086788 0.096394 0.097789 0.106096 0.099820 0.102023 0.093573 0.103047 0.093645 0.080193 0.078782 0.081293 0.078464 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 8.2849 8.5025 8.4335 8.4360 7.1126 5.8500 6.0290 6.0819 6.2741 6.2893 6.2890 5.5889 6.0007 5.9136 6.2254 6.2837 6.0723 6.0686 6.0699 6.0717 6.1347 6.1355 5.6613 5.6567 0.8993 0.9059 0.9087 0.9001 0.9034 0.9087 0.8988 0.9001 0.8720 0.8657 0.8692 0.9002 0.9132 0.9036 0.9022 0.8939 0.9002 0.8980 0.9064 0.8970 0.9064 0.9198 0.9212 0.9187 0.9215 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 -0.2849 -0.5025 -0.4335 -0.4360 -0.1126 0.1500 -0.0290 -0.0819 -0.2741 -0.2893 -0.2890 0.4111 -0.0007 0.0864 -0.2254 -0.2837 -0.0723 -0.0686 -0.0699 -0.0717 -0.1347 -0.1355 0.3387 0.3433 0.1007 0.0941 0.0913 0.0999 0.0966 0.0913 0.1012 0.0999 0.1280 0.1343 0.1308 0.0998 0.0868 0.0964 0.0978 0.1061 0.0998 0.1020 0.0936 0.1030 0.0936 0.0802 0.0788 0.0813 0.0785 2.1021 1.9941 2.0776 2.0732 3.1360 3.7356 3.8145 3.8542 3.8823 3.9146 3.8538 4.0782 3.6738 3.8881 3.9233 3.9526 3.6955 3.6935 3.9187 3.9200 3.9177 3.9165 4.1872 4.1793 1.0235 1.0287 1.0188 0.9996 1.0007 1.0013 0.9990 1.0024 1.0021 1.0028 1.0030 0.9930 1.0080 0.9941 0.9988 0.9959 1.0059 1.0042 1.0152 1.0046 1.0151 1.0095 1.0065 1.0095 1.0067 2.1021 1.9941 2.0776 2.0732 3.1360 3.7356 3.8145 3.8542 3.8823 3.9146 3.8538 4.0782 3.6738 3.8881 3.9233 3.9526 3.6955 3.6935 3.9187 3.9200 3.9177 3.9165 4.1872 4.1793 1.0235 1.0287 1.0188 0.9996 1.0007 1.0013 0.9990 1.0024 1.0021 1.0028 1.0030 0.9930 1.0080 0.9941 0.9988 0.9959 1.0059 1.0042 1.0152 1.0046 1.0151 1.0095 1.0065 1.0095 1.0067 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1520 0.8721 1.8218 2.0015 1.9938 0.9733 1.1138 1.1123 0.9581 0.8736 0.9409 0.9272 0.8886 0.9709 0.9936 1.0211 1.0251 0.9874 0.9936 0.9895 0.9942 0.9961 0.9896 1.8378 0.9922 0.9543 0.9552 0.9697 0.9705 0.9810 1.0009 0.9816 0.9848 0.9842 1.0046 1.7360 0.9781 0.9662 0.9767 0.9680 0.9301 0.9811 1.0007 0.9296 0.9820 0.9995 0.9262 1.0072 1.0064 1.0070 1.0069 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 -0.022303939 -1094.891341640764 16.65864 -18.08451 -1.42588 -7.44576 6.64764 -0.79813 -10.89284 9.29773 -1.59511 2.28353 5.80427