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:1.1669,-1.1543,-.5004;2.7052,-2.1598,-1.7571;-1.4365,-.0397,-2.4545;-1.1635,-2.1461,1.5532;-1.0967,-1.4147,-.6325;3.6027,-.2348,1.1651;3.0564,.9065,.3809;3.3921,-.4038,-.3342;5.0511,-.1645,1.5877;2.7438,-.975,2.1609;1.6783,1.4274,.5497;2.4107,-1.3219,-.9304;1.0781,2.2225,-.3391;.1415,-1.9964,-1.0205;-.298,2.7664,-.1106;1.7322,2.5894,-1.6411;-2.7967,.1335,-.4605;-2.7028,-.4693,.7262;-3.7943,1.1702,-.8169;-3.5547,-.1708,1.9024;-4.8834,1.2223,.2554;-4.3002,1.1436,1.665;-1.73,-.3961,-1.3411;-1.5916,-1.4474,.6688;3.7859,1.6736,.1313;4.3071,-.391,-.9148;5.4754,-1.1644,1.6958;5.6592,.3807,.8651;5.1443,.3413,2.5505;1.6836,-.9893,1.9216;3.0763,-2.0101,2.2554;2.8468,-.5097,3.1429;1.1471,1.1642,1.4593;.2259,-3.0011,-.6083;.1845,-2.0529,-2.1068;-.28,3.8574,-.0387;-.9555,2.5295,-.9505;-.7529,2.3761,.8003;1.7331,1.7404,-2.3302;1.2094,3.4062,-2.138;2.7727,2.8924,-1.5143;-3.2894,2.1376,-.9066;-4.2229,.9616,-1.7999;-4.2579,-.9941,2.0617;-2.9438,-.1157,2.8061;-5.4623,2.1393,.1403;-5.5781,.3916,.1045;-5.0939,1.2511,2.405;-3.6108,1.979,1.8179; 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 2223.5648083380 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 1.285e-05 Time for diagonalization 0.274 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.249 sec Total time needed 0.530 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:1.1669,-1.1543,-.5004;2.7052,-2.1598,-1.7571;-1.4365,-.0397,-2.4545;-1.1635,-2.1461,1.5532;-1.0967,-1.4147,-.6325;3.6027,-.2348,1.1651;3.0564,.9065,.3809;3.3921,-.4038,-.3342;5.0511,-.1645,1.5877;2.7438,-.975,2.1609;1.6783,1.4274,.5497;2.4107,-1.3219,-.9304;1.0781,2.2225,-.3391;.1415,-1.9964,-1.0205;-.298,2.7664,-.1106;1.7322,2.5894,-1.6411;-2.7967,.1335,-.4605;-2.7028,-.4693,.7262;-3.7943,1.1702,-.8169;-3.5547,-.1708,1.9024;-4.8834,1.2223,.2554;-4.3002,1.1436,1.665;-1.73,-.3961,-1.3411;-1.5916,-1.4474,.6688;3.7859,1.6736,.1313;4.3071,-.391,-.9148;5.4754,-1.1644,1.6958;5.6592,.3807,.8651;5.1443,.3413,2.5505;1.6836,-.9893,1.9216;3.0763,-2.0101,2.2554;2.8468,-.5097,3.1429;1.1471,1.1642,1.4593;.2259,-3.0011,-.6083;.1845,-2.0529,-2.1068;-.28,3.8574,-.0387;-.9555,2.5295,-.9505;-.7529,2.3761,.8003;1.7331,1.7404,-2.3302;1.2094,3.4062,-2.138;2.7727,2.8924,-1.5143;-3.2894,2.1376,-.9066;-4.2229,.9616,-1.7999;-4.2579,-.9941,2.0617;-2.9438,-.1157,2.8061;-5.4623,2.1393,.1403;-5.5781,.3916,.1045;-5.0939,1.2511,2.405;-3.6108,1.979,1.8179; 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:1.1669,-1.1543,-.5004;2.7052,-2.1598,-1.7571;-1.4365,-.0397,-2.4545;-1.1635,-2.1461,1.5532;-1.0967,-1.4147,-.6325;3.6027,-.2348,1.1651;3.0564,.9065,.3809;3.3921,-.4038,-.3342;5.0511,-.1645,1.5877;2.7438,-.975,2.1609;1.6783,1.4274,.5497;2.4107,-1.3219,-.9304;1.0781,2.2225,-.3391;.1415,-1.9964,-1.0205;-.298,2.7664,-.1106;1.7322,2.5894,-1.6411;-2.7967,.1335,-.4605;-2.7028,-.4693,.7262;-3.7943,1.1702,-.8169;-3.5547,-.1708,1.9024;-4.8834,1.2223,.2554;-4.3002,1.1436,1.665;-1.73,-.3961,-1.3411;-1.5916,-1.4474,.6688;3.7859,1.6736,.1313;4.3071,-.391,-.9148;5.4754,-1.1644,1.6958;5.6592,.3807,.8651;5.1443,.3413,2.5505;1.6836,-.9893,1.9216;3.0763,-2.0101,2.2554;2.8468,-.5097,3.1429;1.1471,1.1642,1.4593;.2259,-3.0011,-.6083;.1845,-2.0529,-2.1068;-.28,3.8574,-.0387;-.9555,2.5295,-.9505;-.7529,2.3761,.8003;1.7331,1.7404,-2.3302;1.2094,3.4062,-2.138;2.7727,2.8924,-1.5143;-3.2894,2.1376,-.9066;-4.2229,.9616,-1.7999;-4.2579,-.9941,2.0617;-2.9438,-.1157,2.8061;-5.4623,2.1393,.1403;-5.5781,.3916,.1045;-5.0939,1.2511,2.405;-3.6108,1.979,1.8179; 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 2894 GEPOL Volume 2272.7172 GEPOL Surface-area 1339.1527 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.86409934 2223.56480834 -3318.42890768 -5908.93848521 2590.50957753 -0.03838242 -2184.91603193 1090.05193259 2.00441462 88.999973801730 88.999973801730 177.999947603460 -105.976458763336 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 -524.8783 -523.6911 -523.6906 -523.1069 -393.9814 -283.4991 -283.4022 -283.4010 -282.4125 -280.4872 -280.4634 -280.2934 -279.9937 -279.9354 -279.7396 -279.7345 -279.6760 -279.4196 -279.4131 -279.1937 -279.1551 -279.1513 -279.1369 -279.1335 -33.9598 -32.9663 -32.4550 -31.2371 -29.7937 -27.3558 -26.8347 -25.1272 -24.9197 -23.8678 -23.4026 -22.8856 -22.0782 -21.8155 -21.7320 -21.3331 -20.8680 -20.1724 -19.7607 -19.0486 -18.4095 -17.9943 -17.9323 -17.1784 -16.7372 -16.4358 -16.3334 -16.1798 -15.9972 -15.6447 -15.5409 -15.4191 -15.1167 -14.9412 -14.6592 -14.5016 -14.4680 -14.2644 -14.0333 -13.9656 -13.9206 -13.7830 -13.7061 -13.5037 -13.1411 -13.0484 -12.9926 -12.8850 -12.8070 -12.4090 -12.2609 -11.9201 -11.6309 -11.6155 -11.4351 -11.3697 -11.3292 -11.2322 -10.9604 -10.7431 -10.4829 -10.3044 -9.8763 -9.6468 -8.5107 -0.4678 1.9575 2.7145 2.9382 3.0094 3.4371 3.7115 3.7632 4.0181 4.1975 4.2243 4.4632 4.5705 4.7395 4.9063 4.9934 5.1055 5.1508 5.2016 5.2957 5.3040 5.4861 5.6594 5.7571 5.8673 5.9816 6.1102 6.2510 6.3234 6.3806 6.4165 6.5238 6.7467 6.8002 6.8712 6.9509 7.0602 7.2001 7.2943 7.4802 7.5557 7.6855 7.7505 7.8301 7.9404 8.1418 8.2075 8.2390 8.3607 8.4829 8.6089 8.7161 8.9657 9.0738 9.2041 9.4232 9.5122 9.6975 9.7618 9.9022 9.9703 10.1496 10.1941 10.3286 10.4557 10.5780 10.6740 10.8260 10.9204 11.0870 11.1973 11.2430 11.3617 11.7021 11.7903 11.8033 11.9872 12.0995 12.1540 12.3824 12.4928 12.5664 12.6788 12.8035 12.8623 13.0167 13.0766 13.2465 13.3652 13.4832 13.6334 13.6906 13.7798 13.8464 13.9572 14.0223 14.0541 14.1779 14.2628 14.3461 14.4142 14.4722 14.5077 14.6003 14.6776 14.7893 14.8854 14.9949 15.0107 15.1429 15.2179 15.2979 15.3290 15.4444 15.5034 15.7201 15.7593 15.8332 15.8677 15.9603 16.0209 16.1052 16.3568 16.4033 16.5849 16.6683 16.7440 16.9012 16.9918 17.1649 17.2701 17.3948 17.5337 17.5554 17.7561 17.8236 17.9401 18.0224 18.2183 18.4302 18.4866 18.5413 18.8360 19.0380 19.1507 19.3148 19.3602 19.6202 19.7288 19.9100 20.2138 20.3126 20.4343 20.6673 20.9011 20.9692 21.1263 21.4112 21.5478 21.7169 21.8655 21.9095 21.9786 22.1899 22.3992 22.4449 22.6373 22.7896 23.0760 23.1023 23.5424 23.5823 23.7933 23.9278 23.9453 24.1300 24.3073 24.4307 24.5544 24.7329 24.9811 25.0011 25.2577 25.3988 25.5497 25.6523 25.7465 25.9468 26.0876 26.2270 26.3750 26.6274 26.7392 27.0205 27.0955 27.3893 27.6058 27.7193 27.8239 27.9887 28.1232 28.3488 28.5139 28.5892 28.8089 28.9520 29.0086 29.2789 29.2902 29.3900 29.4632 29.6938 29.8025 29.9173 30.0726 30.1249 30.3601 30.4020 30.4899 30.6195 30.7293 30.9981 31.0176 31.1676 31.2233 31.4575 31.4858 31.5916 31.7654 31.8504 31.9727 32.1123 32.2406 32.5433 32.6005 32.6890 32.8788 32.8949 32.9964 33.0805 33.3735 33.4246 33.5512 33.7269 33.7938 33.8937 34.0259 34.2089 34.2817 34.4180 34.5392 34.7297 34.9052 35.0730 35.2314 35.4242 35.7228 35.8032 35.8877 36.2311 36.2962 36.3856 36.5482 36.5799 36.7219 36.9406 37.0698 37.1759 37.3295 37.4858 37.5207 37.7096 37.9435 38.1442 38.1922 38.5213 38.5728 38.7351 38.9316 39.0091 39.1635 39.3766 39.6462 39.6540 39.8623 40.1514 40.3406 40.4666 40.6079 40.7470 40.9058 40.9862 41.0331 41.3833 41.5127 41.6688 41.6869 41.9113 42.0670 42.1098 42.2116 42.2423 42.3219 42.4738 42.5711 42.6625 42.8061 42.9458 43.0246 43.2191 43.3538 43.4161 43.5130 43.7005 43.8701 43.9408 44.0605 44.2062 44.2679 44.4631 44.6236 44.7268 44.8723 44.9617 45.0968 45.1828 45.3618 45.5722 45.8987 46.0692 46.1864 46.3302 46.4552 46.7666 46.8586 46.8712 46.9639 47.1095 47.3778 47.4450 47.5448 47.7798 47.9005 47.9541 48.1677 48.3182 48.4953 48.6085 48.7300 48.8311 49.0013 49.0738 49.3304 49.6035 49.7917 50.2033 50.2394 50.5059 50.7725 51.2906 51.3776 51.6326 51.6989 52.0313 52.2619 52.4786 52.7481 52.9127 53.4299 53.4686 53.7383 53.8295 54.4845 54.7331 54.8720 55.3237 55.6532 55.7965 55.8905 56.0053 56.3087 56.4120 56.7875 56.9985 57.3013 57.4737 57.5609 57.9396 58.2076 58.7670 58.9570 59.1933 59.5197 59.9668 60.1016 60.2052 60.3892 60.6377 60.9624 61.2871 61.4515 61.9379 62.2486 62.4506 62.6105 62.9314 63.0680 63.3385 63.3626 63.5059 63.7074 63.7530 64.2024 64.3777 64.8161 65.1163 65.2394 65.3954 65.7312 66.0731 66.1649 66.5095 66.7544 67.1460 67.2313 67.8759 67.9729 68.2285 68.4074 68.6408 68.7721 69.0082 69.6783 70.2558 70.5439 70.6783 70.9422 71.2632 71.5105 71.5613 71.6054 71.8962 72.1304 72.2438 72.4460 72.7401 72.7771 73.2815 73.3882 73.5151 73.6025 73.9988 74.2036 74.2409 74.6248 74.9040 75.1634 75.2149 75.2882 75.5037 75.7287 75.8525 75.9589 76.2204 76.4920 76.5877 76.8373 77.1427 77.2835 77.4278 77.4528 77.6681 77.7725 77.8648 78.0815 78.3502 78.4163 78.5867 78.6999 78.9474 79.0099 79.1961 79.2879 79.3324 79.5825 79.7352 79.7778 79.9852 80.0927 80.3356 80.3519 80.4498 80.7811 80.9951 81.0069 81.1708 81.3423 81.4116 81.7117 81.8447 81.9302 82.1591 82.2119 82.3599 82.6810 82.8071 83.0330 83.1703 83.4114 83.5638 83.6903 83.8254 83.9435 84.1297 84.2397 84.3263 84.4225 84.6322 84.7881 84.9030 85.1026 85.2343 85.4048 85.5510 85.6712 85.8769 85.8933 86.0480 86.2086 86.3912 86.4606 86.5831 86.6499 86.9275 86.9764 87.1353 87.2241 87.3765 87.4841 87.5184 87.6185 87.8186 87.8388 88.0455 88.2852 88.3640 88.5450 88.6702 88.8445 88.9180 89.1003 89.1565 89.2639 89.4208 89.5049 89.7131 89.8085 89.9061 89.9993 90.2529 90.3305 90.4100 90.5591 90.7261 90.8531 91.0148 91.0576 91.2036 91.3893 91.5396 91.8486 92.1334 92.1810 92.2551 92.4179 92.4660 92.7322 93.0479 93.0752 93.2084 93.4057 93.5402 93.7011 93.9251 93.9514 94.0864 94.1238 94.3984 94.4641 94.6558 94.7689 94.8421 95.0252 95.0716 95.1530 95.4110 95.4709 95.5438 95.8701 95.9516 96.0258 96.1082 96.3444 96.3738 96.5183 96.6462 96.9415 97.0572 97.1890 97.2935 97.3928 97.7291 97.8808 97.9491 98.1272 98.2855 98.4048 98.5300 98.5384 98.8745 99.0263 99.0665 99.1998 99.2538 99.6077 99.7077 99.9378 100.0515 100.1626 100.3119 100.4702 100.6724 100.7350 100.8517 101.0459 101.1735 101.4609 101.6407 101.8575 102.0404 102.2113 102.2594 102.4196 102.7465 102.8494 103.0195 103.1917 103.4638 103.4912 103.6202 103.6894 103.8177 103.9792 104.1873 104.3161 104.4614 104.6381 104.8834 104.9810 105.0905 105.2949 105.3944 105.6419 105.8253 105.8917 106.0999 106.4124 106.7757 106.9293 107.1377 107.4463 107.5463 107.5862 107.7249 107.7996 108.0900 108.3014 108.4969 108.5777 108.7083 108.9573 109.1470 109.2097 109.3302 109.7073 109.9140 110.0410 110.1785 110.3148 110.5515 110.7020 110.8374 110.9782 111.1066 111.2738 111.4381 111.4986 111.7963 111.8740 112.0951 112.2069 112.3146 112.4079 112.5339 112.6771 112.8518 113.1972 113.3351 113.3949 113.4654 113.9113 114.0661 114.2113 114.2693 114.4472 114.4922 114.6120 114.7864 114.8835 115.0037 115.1735 115.2647 115.4229 115.5294 115.5755 115.6482 115.8776 116.0144 116.1309 116.2478 116.5820 116.7440 116.9194 117.0476 117.2438 117.2761 117.4721 117.5368 117.6417 117.8016 118.0261 118.1598 118.2151 118.3296 118.5094 118.7296 118.9778 119.1576 119.2639 119.4227 119.5917 119.7273 119.9638 120.1754 120.3540 120.6215 120.6798 120.7653 121.1576 121.3704 121.5085 121.6263 121.7766 122.1223 122.1748 122.3314 122.6324 122.8054 123.0257 123.1820 123.3718 123.4208 123.7782 124.0733 124.2597 124.6113 124.6351 124.7992 124.9720 125.5314 125.7192 125.7928 126.3092 126.5550 126.5949 126.6879 127.0336 127.1459 127.3257 127.8023 128.0552 128.0867 128.5192 128.5412 128.6694 129.0637 129.2272 129.5260 129.7618 129.9008 130.0031 130.3902 130.6805 130.7496 130.8809 131.0587 131.2829 131.4876 131.7803 131.9336 132.1621 132.2477 132.6694 132.9516 133.1973 133.6200 133.8301 134.1558 134.2896 134.3292 134.5693 134.6032 134.8065 135.3010 135.4819 135.7550 135.9186 136.1191 136.2091 136.6705 136.8308 137.3115 137.7171 137.7696 138.0407 138.3115 138.9704 139.0967 139.4393 139.5390 139.5682 139.8698 139.9479 140.0103 140.3502 140.5600 140.8218 140.8315 141.4225 141.7124 141.9689 142.2021 142.2634 142.4481 142.6376 142.7611 143.1728 143.5996 143.8492 143.9558 144.0927 144.3147 144.4739 144.5659 144.8324 145.1277 145.2867 145.3191 145.6070 145.7355 146.0566 146.1949 146.2853 146.4272 146.6109 146.9352 147.0741 147.3981 147.6897 147.9270 147.9911 148.0801 148.4668 148.6448 148.7517 149.1711 149.3437 149.5928 149.7740 149.9633 150.1164 150.3679 150.4823 150.5677 150.8643 150.9554 151.1145 151.2154 151.4088 151.5714 151.6243 152.0469 152.2869 152.3727 152.4741 152.8491 152.8828 152.9470 153.3369 153.6433 153.8701 154.4382 154.5091 154.6638 154.8586 155.2507 155.5722 155.7390 156.0494 156.2711 156.3653 156.6873 156.8628 157.1365 157.6232 157.9816 158.0744 158.2941 158.4444 158.7113 158.9197 158.9818 159.4641 159.5686 159.6775 160.0301 160.2831 160.5719 160.6516 161.4134 161.6991 162.0885 162.6682 163.4425 165.5266 166.3909 166.7294 167.2046 169.2697 170.3718 171.2734 171.9007 172.8475 173.6470 175.6349 175.7758 176.0581 176.5604 176.6742 179.2320 180.2306 181.0945 181.7794 182.0452 186.9229 187.3638 187.8253 188.0779 188.4469 189.1425 192.0237 193.2712 193.6786 195.2451 195.8976 196.4273 196.7371 198.8130 199.1491 206.7223 207.4785 619.1233 623.6997 626.0117 633.1859 635.7841 638.2725 640.2568 641.2976 641.8578 642.5517 643.4468 643.7104 644.7589 645.2047 646.8882 648.0092 649.8237 650.8680 651.3477 901.7937 1198.3189 1200.0612 1201.2184 1211.6193 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 -0.251724 -0.502925 -0.431909 -0.433192 -0.096024 0.122205 -0.036195 -0.132103 -0.268356 -0.273095 -0.231940 0.432338 -0.040845 0.068853 -0.230985 -0.273882 -0.079766 -0.034508 -0.068281 -0.071768 -0.130181 -0.139558 0.302217 0.316552 0.119630 0.094095 0.096924 0.087727 0.094117 0.071743 0.104680 0.101747 0.128704 0.144553 0.126491 0.115377 0.086299 0.086406 0.098619 0.100477 0.101111 0.108003 0.099723 0.102859 0.093380 0.080902 0.079534 0.083069 0.078906 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 8.2517 8.5029 8.4319 8.4332 7.0960 5.8778 6.0362 6.1321 6.2684 6.2731 6.2319 5.5677 6.0408 5.9311 6.2310 6.2739 6.0798 6.0345 6.0683 6.0718 6.1302 6.1396 5.6978 5.6834 0.8804 0.9059 0.9031 0.9123 0.9059 0.9283 0.8953 0.8983 0.8713 0.8554 0.8735 0.8846 0.9137 0.9136 0.9014 0.8995 0.8989 0.8920 0.9003 0.8971 0.9066 0.9191 0.9205 0.9169 0.9211 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 -0.2517 -0.5029 -0.4319 -0.4332 -0.0960 0.1222 -0.0362 -0.1321 -0.2684 -0.2731 -0.2319 0.4323 -0.0408 0.0689 -0.2310 -0.2739 -0.0798 -0.0345 -0.0683 -0.0718 -0.1302 -0.1396 0.3022 0.3166 0.1196 0.0941 0.0969 0.0877 0.0941 0.0717 0.1047 0.1017 0.1287 0.1446 0.1265 0.1154 0.0863 0.0864 0.0986 0.1005 0.1011 0.1080 0.0997 0.1029 0.0934 0.0809 0.0795 0.0831 0.0789 2.1054 1.9943 2.0632 2.0687 3.1454 3.7822 3.7863 3.8807 3.9052 3.9077 3.7622 4.0848 3.7048 3.9065 3.9213 3.9505 3.6622 3.6614 3.9053 3.9151 3.9114 3.9122 4.1537 4.1679 1.0015 1.0292 1.0016 1.0056 1.0019 1.0125 1.0007 1.0000 0.9973 0.9969 1.0119 0.9955 0.9996 1.0070 0.9985 1.0035 1.0002 1.0056 1.0166 1.0035 1.0160 1.0100 1.0069 1.0098 1.0091 2.1054 1.9943 2.0632 2.0687 3.1454 3.7822 3.7863 3.8807 3.9052 3.9077 3.7622 4.0848 3.7048 3.9065 3.9213 3.9505 3.6622 3.6614 3.9053 3.9151 3.9114 3.9122 4.1537 4.1679 1.0015 1.0292 1.0016 1.0056 1.0019 1.0125 1.0007 1.0000 0.9973 0.9969 1.0119 0.9955 0.9996 1.0070 0.9985 1.0035 1.0002 1.0056 1.0166 1.0035 1.0160 1.0100 1.0069 1.0098 1.0091 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1637 0.8845 1.8437 1.9797 1.9855 0.9726 1.1345 1.1103 0.9572 0.8974 0.9362 0.9345 0.8893 0.9325 1.0063 1.0320 1.0132 0.9929 0.9851 0.9933 0.9933 0.9909 0.9926 1.8231 1.0042 0.9564 0.9705 0.9673 0.9729 0.9775 0.9800 0.9993 0.9776 1.0035 0.9899 1.7134 0.9761 0.9425 0.9822 0.9606 0.9280 0.9814 0.9983 0.9273 0.9801 1.0016 0.9216 1.0074 1.0073 1.0072 1.0095 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 -0.028549270 -1094.892648610845 2.74047 -4.48218 -1.74171 18.03973 -16.23718 1.80256 10.10040 -8.71640 1.38400 2.86325 7.27781