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:.4679,1.8347,-1.0468;.6703,1.3354,1.1238;-1.8141,.2984,-2.5129;-2.2771,1.9793,1.6874;-1.8037,1.4373,-.5108;3.7001,1.0339,.3634;3.0724,-.3228,.4314;2.4193,.7623,-.4094;3.6841,1.8921,1.6043;4.9332,1.2504,-.4799;3.6412,-1.5041,-.2447;1.1253,1.3223,.0044;3.7721,-2.7301,.2737;-.8109,2.414,-.8301;4.3728,-3.8411,-.5344;3.3636,-3.1266,1.6593;-3.1257,-.4478,-.6165;-3.2604,.0515,.6127;-3.8005,-1.669,-1.119;-4.1309,-.5101,1.6735;-4.3831,-2.4475,.0621;-5.09,-1.5314,1.0602;-2.191,.4192,-1.3733;-2.4108,1.2616,.7288;2.5583,-.5179,1.3664;2.549,.6773,-1.4824;4.6207,1.7536,2.1475;2.8756,1.6469,2.2886;3.6066,2.9508,1.3499;4.912,.6979,-1.4181;5.8269,.945,.0678;5.0418,2.3083,-.7255;3.9824,-1.3509,-1.2645;-1.0562,2.9052,-1.7682;-.7869,3.1637,-.0402;5.2653,-4.2415,-.0463;4.6524,-3.5184,-1.5372;3.6742,-4.6764,-.6304;2.65,-3.9538,1.6263;2.9124,-2.323,2.2374;4.2282,-3.4906,2.2203;-4.5895,-1.3831,-1.8217;-3.0989,-2.2845,-1.6867;-3.5068,-.9758,2.4426;-4.6814,.2892,2.175;-5.0777,-3.2026,-.3074;-3.5772,-2.9837,.5708;-5.5494,-2.1226,1.853;-5.901,-1.0021,.5524; 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 2101.6251698294 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 1.351e-05 Time for diagonalization 0.281 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.253 sec Total time needed 0.540 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:.4679,1.8347,-1.0468;.6703,1.3354,1.1238;-1.8141,.2984,-2.5129;-2.2771,1.9793,1.6874;-1.8037,1.4373,-.5108;3.7001,1.0339,.3634;3.0724,-.3228,.4314;2.4193,.7623,-.4094;3.6841,1.8921,1.6043;4.9332,1.2504,-.4799;3.6412,-1.5041,-.2447;1.1253,1.3223,.0044;3.7721,-2.7301,.2737;-.8109,2.414,-.8301;4.3728,-3.8411,-.5344;3.3636,-3.1266,1.6593;-3.1257,-.4478,-.6165;-3.2604,.0515,.6127;-3.8005,-1.669,-1.119;-4.1309,-.51,1.6735;-4.3831,-2.4475,.0621;-5.09,-1.5314,1.0602;-2.191,.4192,-1.3733;-2.4108,1.2616,.7288;2.5583,-.5179,1.3664;2.549,.6773,-1.4824;4.6207,1.7536,2.1475;2.8756,1.6469,2.2886;3.6066,2.9508,1.3499;4.912,.6979,-1.4181;5.8269,.945,.0678;5.0418,2.3083,-.7255;3.9824,-1.3509,-1.2645;-1.0562,2.9052,-1.7682;-.7869,3.1637,-.0402;5.2653,-4.2415,-.0463;4.6524,-3.5184,-1.5372;3.6742,-4.6764,-.6304;2.65,-3.9538,1.6263;2.9124,-2.323,2.2374;4.2282,-3.4906,2.2203;-4.5895,-1.3831,-1.8217;-3.0989,-2.2845,-1.6867;-3.5068,-.9758,2.4426;-4.6814,.2892,2.175;-5.0777,-3.2026,-.3074;-3.5772,-2.9837,.5708;-5.5494,-2.1226,1.853;-5.901,-1.0021,.5524; 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:.4679,1.8347,-1.0468;.6703,1.3354,1.1238;-1.8141,.2984,-2.5129;-2.2771,1.9793,1.6874;-1.8037,1.4373,-.5108;3.7001,1.0339,.3634;3.0724,-.3228,.4314;2.4193,.7623,-.4094;3.6841,1.8921,1.6043;4.9332,1.2504,-.4799;3.6412,-1.5041,-.2447;1.1253,1.3223,.0044;3.7721,-2.7301,.2737;-.8109,2.414,-.8301;4.3728,-3.8411,-.5344;3.3636,-3.1266,1.6593;-3.1257,-.4478,-.6165;-3.2604,.0515,.6127;-3.8005,-1.669,-1.119;-4.1309,-.5101,1.6735;-4.3831,-2.4475,.0621;-5.09,-1.5314,1.0602;-2.191,.4192,-1.3733;-2.4108,1.2616,.7288;2.5583,-.5179,1.3664;2.549,.6773,-1.4824;4.6207,1.7536,2.1475;2.8756,1.6469,2.2886;3.6066,2.9508,1.3499;4.912,.6979,-1.4181;5.8269,.945,.0678;5.0418,2.3083,-.7255;3.9824,-1.3509,-1.2645;-1.0562,2.9052,-1.7682;-.7869,3.1637,-.0402;5.2653,-4.2415,-.0463;4.6524,-3.5184,-1.5372;3.6742,-4.6764,-.6304;2.65,-3.9538,1.6263;2.9124,-2.323,2.2374;4.2282,-3.4906,2.2203;-4.5895,-1.3831,-1.8217;-3.0989,-2.2845,-1.6867;-3.5068,-.9758,2.4426;-4.6814,.2892,2.175;-5.0777,-3.2026,-.3074;-3.5772,-2.9837,.5708;-5.5494,-2.1226,1.853;-5.901,-1.0021,.5524; 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 2893 GEPOL Volume 2267.0327 GEPOL Surface-area 1345.6028 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.87023438 2101.62516983 -3196.49540421 -5666.02919727 2469.53379306 -0.04096077 -2184.91340190 1090.04316752 2.00442833 89.000009056280 89.000009056280 178.000018112559 -105.975541601203 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 -524.8904 -523.6463 -523.6252 -523.2077 -393.9577 -283.5177 -283.3684 -283.3646 -282.3960 -280.4467 -280.4227 -280.3329 -280.0077 -279.9455 -279.7490 -279.7303 -279.7229 -279.4108 -279.4054 -279.3079 -279.1676 -279.1504 -279.1341 -279.1255 -33.9126 -32.8957 -32.4093 -31.3162 -29.7582 -27.3976 -26.7887 -25.1637 -24.8738 -23.8445 -23.4979 -23.0097 -22.0655 -21.7965 -21.7255 -21.3271 -20.9962 -20.0850 -19.7545 -18.9151 -18.1309 -18.0573 -17.6541 -17.4434 -17.0873 -16.5455 -16.3116 -16.1361 -15.9494 -15.7075 -15.4510 -15.2340 -15.0719 -14.9040 -14.6058 -14.4873 -14.4529 -14.4147 -14.2166 -13.9754 -13.9534 -13.7565 -13.5135 -13.3964 -13.1663 -13.0543 -12.8916 -12.8452 -12.7121 -12.5367 -12.3475 -12.0499 -11.8730 -11.6101 -11.4628 -11.3943 -11.3675 -11.1288 -10.8908 -10.7887 -10.5464 -10.2784 -10.0574 -9.6167 -8.4420 -0.4291 1.8875 2.8449 3.1392 3.1810 3.4125 3.7549 3.9496 4.0538 4.2220 4.3142 4.4624 4.5979 4.7766 4.8142 4.9231 4.9705 5.0681 5.1821 5.2867 5.3593 5.5542 5.5806 5.6677 5.7810 5.8818 5.9918 6.2531 6.2664 6.3031 6.3678 6.5494 6.5669 6.6226 6.7109 6.9045 7.0229 7.0846 7.1511 7.2940 7.3423 7.3939 7.5522 7.6072 7.7087 7.8822 7.9219 8.0573 8.1088 8.3359 8.3875 8.5604 8.7570 8.8411 8.9495 9.1326 9.2025 9.4662 9.5133 9.5531 9.7848 9.9128 10.0037 10.0327 10.2640 10.4984 10.5157 10.5799 10.7010 10.8600 10.9182 10.9890 11.2072 11.4199 11.5026 11.5858 11.6616 11.7052 11.9982 12.1284 12.1941 12.4014 12.5233 12.6742 12.7108 12.9358 13.0184 13.0650 13.2338 13.2575 13.4612 13.5148 13.5232 13.5678 13.5949 13.6508 13.7537 13.8445 13.8803 14.1076 14.1378 14.1470 14.3502 14.3957 14.5461 14.5855 14.6592 14.7165 14.8444 14.9053 15.0376 15.1092 15.2048 15.2866 15.3300 15.4027 15.4387 15.4889 15.5600 15.5850 15.7206 15.8182 15.8970 15.9178 16.2181 16.3590 16.5152 16.6029 16.6413 16.8311 16.8343 16.9845 17.1268 17.1825 17.3300 17.3657 17.4498 17.5906 17.6790 17.8588 18.0183 18.2303 18.4288 18.6617 18.8256 18.9131 19.0645 19.1406 19.3856 19.4736 19.6451 19.7604 19.9785 20.1506 20.3037 20.4301 20.6275 20.7796 20.9477 21.2143 21.4598 21.5092 21.6802 21.9521 22.0307 22.2242 22.2750 22.4285 22.7035 22.8374 22.8606 23.1044 23.2834 23.4166 23.5814 23.7970 23.9281 23.9657 24.0688 24.1603 24.4711 24.6724 24.8198 25.0166 25.0839 25.2389 25.3352 25.4592 25.5836 25.6953 26.0102 26.1298 26.3468 26.4456 26.6797 26.8080 27.1182 27.2386 27.4457 27.6285 27.7212 27.8330 27.9936 28.2343 28.3239 28.5250 28.5868 28.7507 28.9789 29.0314 29.2292 29.3105 29.3607 29.5878 29.7699 29.8101 29.8937 30.0439 30.1959 30.2340 30.3971 30.5063 30.5466 30.7640 30.8304 30.9533 31.0537 31.2155 31.2213 31.4247 31.4807 31.6299 31.7421 31.9690 32.2529 32.3670 32.5772 32.6101 32.6497 32.9249 33.0484 33.2003 33.3186 33.3570 33.4452 33.5164 33.7040 33.7729 33.8661 33.9332 34.0572 34.2227 34.5177 34.5789 34.7516 34.9281 35.1544 35.2814 35.3554 35.5728 35.6971 35.7951 35.9142 36.1424 36.3494 36.5393 36.5897 36.7795 36.8672 37.1824 37.2040 37.3088 37.5531 37.6366 37.8285 37.9468 38.0544 38.3236 38.6062 38.6885 38.8293 38.9907 39.0941 39.3124 39.3945 39.5005 39.6662 39.9413 40.0873 40.2609 40.4792 40.5877 40.7230 40.7828 40.9406 41.1890 41.2543 41.4187 41.5341 41.6999 41.9535 42.1366 42.2147 42.2737 42.3964 42.4329 42.5242 42.6769 42.8564 42.9141 42.9941 43.0543 43.1879 43.3373 43.4725 43.6502 43.6617 43.7614 44.0198 44.0894 44.2178 44.3145 44.3668 44.5444 44.6596 44.7695 44.9384 45.0869 45.2077 45.5677 45.6757 45.7682 45.9669 46.4308 46.5012 46.6121 46.7474 46.8414 46.8900 46.9654 47.1595 47.2701 47.4000 47.4293 47.5347 47.7653 47.9484 48.0422 48.1084 48.5231 48.6076 48.8138 48.8628 49.0643 49.2382 49.6312 49.8545 49.8719 50.0961 50.3980 50.6656 50.8827 51.0281 51.4169 51.6208 51.9161 52.1949 52.3278 52.4594 52.7741 53.1588 53.3129 53.3830 53.7790 53.9691 54.2543 54.5395 54.7014 55.1444 55.3546 56.2025 56.2575 56.6657 56.9309 57.1965 57.2651 57.5847 57.8346 58.2292 58.3854 58.6874 59.1299 59.2961 59.5392 59.8130 59.8836 60.3607 60.4971 60.5725 60.7823 60.9849 61.5333 61.7517 62.0453 62.1162 62.2521 62.6384 62.8423 62.9212 62.9590 63.2508 63.4578 63.7444 64.0506 64.6921 64.7895 64.9477 65.3739 65.4711 65.8537 66.3824 66.6061 67.1039 67.3464 67.5611 67.6883 68.1000 68.2477 68.4138 69.0735 69.1084 69.5281 69.6682 69.8529 70.0097 70.5182 70.5888 70.6889 70.8898 70.9966 71.2908 71.4606 71.8003 71.8850 72.1793 72.3400 72.4898 72.6218 72.8199 72.9570 73.1647 73.3482 73.4888 73.8280 74.0410 74.3963 74.5922 74.8283 74.9675 75.0434 75.1876 75.5089 75.5873 75.6453 75.7867 76.2106 76.4461 76.4583 76.7004 77.0705 77.3380 77.4488 77.5616 77.7468 78.0739 78.2299 78.2800 78.4492 78.7251 78.7336 78.8178 79.0082 79.2084 79.2834 79.3812 79.4144 79.6643 79.8720 79.9532 80.1990 80.2742 80.3396 80.4805 80.7728 80.8183 80.9815 81.1404 81.2767 81.3418 81.4390 81.7281 81.7915 81.9028 82.0329 82.2820 82.4209 82.6847 82.8096 83.0610 83.1551 83.2825 83.3703 83.4424 83.6177 83.8115 83.8731 84.1850 84.2107 84.3806 84.4281 84.5596 84.8765 84.9910 85.1123 85.1817 85.3321 85.4195 85.5357 85.6147 85.8070 85.8346 86.0195 86.1042 86.2332 86.4598 86.6273 86.7224 86.7683 86.8358 87.1371 87.2688 87.3176 87.4830 87.6215 87.7200 87.8718 87.9960 88.3428 88.5623 88.6312 88.7830 88.8319 88.8685 89.1179 89.2562 89.3389 89.4880 89.6021 89.6614 89.7691 89.8637 90.0929 90.4138 90.4870 90.5934 90.7190 90.8203 90.9943 91.0867 91.1820 91.4559 91.7025 92.0113 92.0976 92.2099 92.4534 92.4656 92.5710 92.8953 92.9692 93.0486 93.1276 93.2219 93.4170 93.4535 93.7041 93.7385 93.9303 94.1263 94.2185 94.4077 94.4354 94.6477 94.7542 94.7790 94.9118 95.1254 95.2572 95.3329 95.5072 95.6388 95.8731 95.9969 96.1978 96.3159 96.4615 96.6799 96.7708 96.9615 97.0122 97.1813 97.3549 97.4480 97.7482 97.8366 98.0302 98.1415 98.3213 98.4552 98.4807 98.7936 98.8740 99.1768 99.2894 99.4470 99.5567 99.7457 99.7904 99.8574 99.9853 100.0509 100.3823 100.5603 100.6089 100.8806 101.1837 101.3679 101.4022 101.7152 102.0058 102.0343 102.1138 102.1595 102.2806 102.3558 102.5203 102.8593 102.9518 103.2575 103.3861 103.5427 103.6812 103.7405 103.9863 104.0808 104.4068 104.4855 104.6393 104.6820 104.9149 104.9445 105.0243 105.5363 105.7501 105.9764 106.0459 106.2264 106.3762 106.8736 106.9113 107.1766 107.2411 107.4074 107.4875 107.7162 107.9338 108.0805 108.4593 108.6248 108.7523 108.8190 109.1450 109.2486 109.4193 109.4531 109.5819 109.7260 109.7723 110.1062 110.1871 110.3044 110.4917 110.5499 110.8521 110.9198 110.9721 111.1187 111.2059 111.3578 111.6493 111.7407 111.8831 112.0116 112.0580 112.2155 112.6631 112.7942 112.8737 112.9743 113.1235 113.2561 113.4689 113.5763 113.6077 113.9202 114.0551 114.3911 114.5674 114.6092 114.7652 114.9293 114.9494 115.0447 115.2274 115.3109 115.3949 115.4270 115.5651 115.6711 115.8264 115.9285 116.3052 116.4020 116.6289 116.8249 116.8669 116.9986 117.2199 117.3748 117.4579 117.4879 117.7264 117.7686 117.8668 118.0763 118.2286 118.3879 118.5488 118.6597 118.8315 119.0948 119.3009 119.4338 119.6465 119.9457 120.2150 120.3303 120.5723 120.6933 120.8721 121.2110 121.3874 121.6431 121.8471 122.2300 122.3542 122.5249 122.5788 122.9756 123.0248 123.2992 123.8205 123.8695 124.0404 124.1084 124.4199 124.5335 125.1170 125.1900 125.5040 125.7778 125.9775 126.1255 126.2073 126.3816 126.6204 126.9297 127.0714 127.3753 127.6947 127.7718 128.0121 128.0748 128.2754 128.7841 129.0640 129.1496 129.3137 129.4065 129.7703 129.9358 130.0911 130.3485 130.3922 130.5911 130.7688 130.8393 131.1106 131.4546 131.5994 131.7545 132.1735 132.2785 132.3863 132.7037 133.1031 133.3546 133.5891 133.9219 134.0679 134.1855 134.4142 134.5204 134.6077 134.8226 135.1127 135.2802 135.6510 135.8396 136.2811 136.9665 137.2729 137.8138 137.8977 137.9924 138.2841 138.8839 139.0485 139.2969 139.4229 139.5928 139.7800 140.0188 140.3020 140.3642 140.5090 140.7641 140.9651 141.3231 141.5026 141.6576 141.8637 142.0277 142.3319 142.6425 143.1089 143.1623 143.2685 143.7551 143.8590 143.9177 144.0097 144.3781 144.4727 144.7935 145.1030 145.2444 145.3925 145.4524 145.6184 145.6973 145.8400 146.1287 146.3301 146.5751 146.6543 146.7894 147.0860 147.3693 147.7323 147.9392 148.1818 148.3766 148.6529 148.7405 148.8971 149.0636 149.4353 149.5849 149.7172 149.8112 150.0543 150.2747 150.4275 150.5148 150.7375 151.0285 151.1620 151.2035 151.3003 151.3654 151.5410 151.7510 152.2547 152.5276 152.7075 153.0939 153.4540 153.4648 153.7849 154.0382 154.2861 154.4791 154.6525 154.9589 155.1280 155.3574 155.6794 155.8866 156.2478 156.3981 156.5501 156.7878 157.3212 157.3978 157.8402 157.8909 157.9100 158.0309 158.0997 158.7734 159.3974 159.4663 159.6559 159.7327 160.0202 160.0903 160.4437 160.6297 161.2966 161.6575 162.1812 163.0567 164.4329 164.6860 165.6358 166.6760 167.8879 168.9882 169.9260 171.3292 171.5624 172.4219 173.4302 175.6811 175.8554 176.3471 176.5184 178.3651 179.1483 180.2423 181.6984 181.9573 182.2642 186.1726 186.6367 187.4200 187.6660 188.2403 189.0423 192.2889 192.4078 193.3627 195.5697 196.3708 196.4614 196.5946 198.9674 199.3393 204.6193 206.4805 618.3329 621.3688 626.7264 630.5932 635.8651 638.5480 639.5689 640.0409 641.2156 642.4211 642.7638 643.4050 643.7047 645.1100 646.9716 647.5142 650.0683 650.1195 651.8017 902.6787 1199.3341 1199.8619 1200.3333 1208.9246 -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 -0.287514 -0.492613 -0.435577 -0.430608 -0.103480 0.104823 0.042595 -0.115807 -0.276630 -0.271740 -0.282963 0.441284 -0.050858 0.084741 -0.216865 -0.253595 -0.082345 -0.064133 -0.072847 -0.073466 -0.134407 -0.136729 0.336679 0.338954 0.095490 0.089545 0.096319 0.091720 0.100466 0.089840 0.098113 0.098312 0.122352 0.147102 0.133964 0.093545 0.088607 0.093468 0.096371 0.090096 0.097561 0.101568 0.093689 0.102630 0.093685 0.080164 0.078790 0.081808 0.077899 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 8.2875 8.4926 8.4356 8.4306 7.1035 5.8952 5.9574 6.1158 6.2766 6.2717 6.2830 5.5587 6.0509 5.9153 6.2169 6.2536 6.0823 6.0641 6.0728 6.0735 6.1344 6.1367 5.6633 5.6610 0.9045 0.9105 0.9037 0.9083 0.8995 0.9102 0.9019 0.9017 0.8776 0.8529 0.8660 0.9065 0.9114 0.9065 0.9036 0.9099 0.9024 0.8984 0.9063 0.8974 0.9063 0.9198 0.9212 0.9182 0.9221 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 -0.2875 -0.4926 -0.4356 -0.4306 -0.1035 0.1048 0.0426 -0.1158 -0.2766 -0.2717 -0.2830 0.4413 -0.0509 0.0847 -0.2169 -0.2536 -0.0823 -0.0641 -0.0728 -0.0735 -0.1344 -0.1367 0.3367 0.3390 0.0955 0.0895 0.0963 0.0917 0.1005 0.0898 0.0981 0.0983 0.1224 0.1471 0.1340 0.0935 0.0886 0.0935 0.0964 0.0901 0.0976 0.1016 0.0937 0.1026 0.0937 0.0802 0.0788 0.0818 0.0779 2.1125 2.0147 2.0750 2.0784 3.0880 3.6863 3.7701 3.8373 3.9036 3.9140 3.8735 4.1266 3.7639 3.8862 3.9188 3.9410 3.7062 3.6632 3.9200 3.9159 3.9153 3.9176 4.1880 4.1857 1.0299 1.0369 1.0002 1.0187 0.9991 1.0061 1.0015 1.0015 1.0102 0.9941 1.0155 0.9960 1.0087 0.9965 0.9968 1.0105 0.9967 1.0044 1.0152 1.0047 1.0158 1.0094 1.0066 1.0091 1.0065 2.1125 2.0147 2.0750 2.0784 3.0880 3.6863 3.7701 3.8373 3.9036 3.9140 3.8735 4.1266 3.7639 3.8862 3.9188 3.9410 3.7062 3.6632 3.9200 3.9159 3.9153 3.9176 4.1880 4.1857 1.0299 1.0369 1.0002 1.0187 0.9991 1.0061 1.0015 1.0015 1.0102 0.9941 1.0155 0.9960 1.0087 0.9965 0.9968 1.0105 0.9967 1.0044 1.0152 1.0047 1.0158 1.0094 1.0066 1.0091 1.0065 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1445 0.8894 1.8475 1.9996 2.0071 0.9131 1.1056 1.1257 0.8878 0.8571 0.9463 0.9502 0.9053 0.9977 1.0092 1.0343 1.0233 0.9887 0.9876 0.9940 0.9893 0.9945 0.9896 1.8496 0.9732 0.9622 0.9718 0.9710 0.9874 0.9805 1.0005 0.9809 0.9830 1.0028 0.9828 1.7387 0.9791 0.9598 0.9782 0.9431 0.9296 0.9819 1.0001 0.9286 0.9827 1.0003 0.9254 1.0075 1.0068 1.0067 1.0071 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 -0.022569429 -1094.892803809315 19.59118 -19.91045 -0.31928 -18.87258 17.59112 -1.28146 5.98014 -6.32693 -0.34680 1.36541 3.47059