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:-.4767,1.0465,-.5503;-1.6333,1.6649,1.2734;2.7246,1.5077,-2.2148;1.4142,.4571,2.0046;1.7946,1.2754,-.115;-2.6907,-1.2808,1.0401;-3.7331,-.3407,.5405;-2.3259,-.2322,-.0072;-2.1978,-1.1488,2.4605;-2.6825,-2.7048,.5414;-4.8406,-.7955,-.3409;-1.4789,.9174,.3366;-5.2962,-.1465,-1.4155;.5662,1.9782,-.2991;-6.4309,-.6888,-2.23;-4.7334,1.1522,-1.9042;3.7725,.1599,-.5003;3.3882,-.1539,.7378;5.015,-.3128,-1.1567;4.1468,-1.022,1.6705;5.6148,-1.4644,-.3482;5.5771,-1.1897,1.1545;2.7501,1.0508,-1.0998;2.0981,.5229,1.0128;-3.9936,.4484,1.2425;-2.1678,-.626,-1.0046;-2.3598,-.1591,2.8809;-2.7314,-1.859,3.0947;-1.1332,-1.38,2.5346;-2.985,-2.7858,-.5024;-1.6831,-3.1339,.6315;-3.3598,-3.322,1.1347;-5.3255,-1.7263,-.0584;.3553,2.5921,.5732;.6594,2.6248,-1.1682;-6.1271,-.8399,-3.2691;-6.7994,-1.639,-1.8443;-7.267,.0145,-2.2532;-5.5249,1.9008,-1.9893;-3.9592,1.5608,-1.2581;-4.3116,1.0372,-2.9062;4.8099,-.6216,-2.1842;5.7209,.5207,-1.2274;4.1412,-.5973,2.6766;3.6461,-1.992,1.7485;5.0593,-2.3816,-.5627;6.642,-1.6381,-.6708;6.1443,-.2798,1.37;6.0669,-2.0001,1.6954; 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 2090.3294975920 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 1.445e-05 Time for diagonalization 0.216 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.203 sec Total time needed 0.425 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:-.4767,1.0465,-.5503;-1.6333,1.6649,1.2734;2.7246,1.5077,-2.2148;1.4142,.4571,2.0046;1.7946,1.2754,-.1151;-2.6907,-1.2808,1.0401;-3.7331,-.3407,.5405;-2.3259,-.2322,-.0072;-2.1978,-1.1488,2.4605;-2.6825,-2.7048,.5414;-4.8406,-.7955,-.3409;-1.4789,.9174,.3366;-5.2962,-.1465,-1.4155;.5662,1.9782,-.2991;-6.4309,-.6888,-2.23;-4.7334,1.1522,-1.9042;3.7725,.1599,-.5003;3.3882,-.1539,.7378;5.015,-.3128,-1.1567;4.1468,-1.022,1.6705;5.6148,-1.4644,-.3482;5.5771,-1.1897,1.1545;2.7501,1.0508,-1.0998;2.0981,.5229,1.0128;-3.9936,.4484,1.2425;-2.1678,-.626,-1.0046;-2.3598,-.1591,2.8809;-2.7314,-1.859,3.0947;-1.1332,-1.38,2.5346;-2.985,-2.7858,-.5024;-1.6831,-3.1339,.6315;-3.3598,-3.322,1.1347;-5.3255,-1.7263,-.0584;.3553,2.5921,.5732;.6594,2.6248,-1.1682;-6.1271,-.8399,-3.2691;-6.7994,-1.639,-1.8443;-7.267,.0145,-2.2532;-5.5249,1.9008,-1.9893;-3.9592,1.5608,-1.2581;-4.3116,1.0372,-2.9062;4.81,-.6216,-2.1842;5.7209,.5207,-1.2274;4.1412,-.5973,2.6766;3.6461,-1.992,1.7485;5.0593,-2.3816,-.5627;6.642,-1.6381,-.6708;6.1443,-.2798,1.37;6.0669,-2.0001,1.6954; 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:-.4767,1.0465,-.5503;-1.6333,1.6649,1.2734;2.7246,1.5077,-2.2148;1.4142,.4571,2.0046;1.7946,1.2754,-.115;-2.6907,-1.2808,1.0401;-3.7331,-.3407,.5405;-2.3259,-.2322,-.0072;-2.1978,-1.1488,2.4605;-2.6825,-2.7048,.5414;-4.8406,-.7955,-.3409;-1.4789,.9174,.3366;-5.2962,-.1465,-1.4155;.5662,1.9782,-.2991;-6.4309,-.6888,-2.23;-4.7334,1.1522,-1.9042;3.7725,.1599,-.5003;3.3882,-.1539,.7378;5.015,-.3128,-1.1567;4.1468,-1.022,1.6705;5.6148,-1.4644,-.3482;5.5771,-1.1897,1.1545;2.7501,1.0508,-1.0998;2.0981,.5229,1.0128;-3.9936,.4484,1.2425;-2.1678,-.626,-1.0046;-2.3598,-.1591,2.8809;-2.7314,-1.859,3.0947;-1.1332,-1.38,2.5346;-2.985,-2.7858,-.5024;-1.6831,-3.1339,.6315;-3.3598,-3.322,1.1347;-5.3255,-1.7263,-.0584;.3553,2.5921,.5732;.6594,2.6248,-1.1682;-6.1271,-.8399,-3.2691;-6.7994,-1.639,-1.8443;-7.267,.0145,-2.2532;-5.5249,1.9008,-1.9893;-3.9592,1.5608,-1.2581;-4.3116,1.0372,-2.9062;4.8099,-.6216,-2.1842;5.7209,.5207,-1.2274;4.1412,-.5973,2.6766;3.6461,-1.992,1.7485;5.0593,-2.3816,-.5627;6.642,-1.6381,-.6708;6.1443,-.2798,1.37;6.0669,-2.0001,1.6954; 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 2925 GEPOL Volume 2260.5909 GEPOL Surface-area 1340.8312 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -1094.86822272 2090.32949759 -3185.19772032 -5643.10214798 2457.90442766 -0.03797745 -2184.90992700 1090.04170428 2.00442783 89.000114125654 89.000114125654 178.000228251309 -105.974049420443 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 -524.8608 -523.6668 -523.6622 -523.1904 -393.9560 -283.5216 -283.3867 -283.3733 -282.3357 -280.4625 -280.4387 -280.2986 -279.9617 -279.8929 -279.7657 -279.7344 -279.7333 -279.4189 -279.4132 -279.2468 -279.1603 -279.1356 -279.1341 -279.1274 -33.8308 -32.9291 -32.4275 -31.3283 -29.7644 -27.3746 -26.8075 -25.1429 -24.8964 -23.8553 -23.4619 -22.9619 -22.0660 -21.7646 -21.7391 -21.3269 -20.9499 -20.0748 -19.7399 -18.8159 -18.2951 -18.0730 -17.8640 -17.1417 -16.9040 -16.5391 -16.3756 -16.1616 -16.1179 -15.6060 -15.4341 -15.2339 -15.1068 -15.0153 -14.6092 -14.5470 -14.4645 -14.3774 -14.1742 -13.9896 -13.9723 -13.6809 -13.5602 -13.4615 -13.1645 -13.0903 -12.8637 -12.8457 -12.7022 -12.4527 -12.3339 -12.0192 -11.7650 -11.6196 -11.5283 -11.4686 -11.3978 -10.9433 -10.8763 -10.6244 -10.3897 -10.2527 -10.0421 -9.6054 -8.7271 -0.4483 1.9160 2.7250 3.1017 3.1960 3.3605 3.6823 4.0028 4.1746 4.2603 4.3257 4.4127 4.4474 4.6496 4.7669 4.9242 5.0292 5.1051 5.2490 5.2719 5.3878 5.4743 5.5552 5.6693 5.8245 5.9257 5.9762 6.0893 6.1921 6.3224 6.4296 6.5157 6.5303 6.6101 6.6157 6.8038 6.9974 7.0548 7.1288 7.2709 7.3967 7.5028 7.5411 7.7302 7.7759 7.8345 7.9541 8.0849 8.1528 8.2688 8.3069 8.5312 8.7958 8.8324 9.0607 9.1908 9.3910 9.4519 9.5014 9.5952 9.8370 9.9251 10.0849 10.2530 10.3898 10.4382 10.5213 10.6236 10.7291 10.8034 10.9486 11.0047 11.2361 11.3720 11.4394 11.6858 11.7994 11.9288 12.1144 12.2322 12.2932 12.3514 12.4380 12.6476 12.7507 12.8962 13.0080 13.0237 13.0866 13.1760 13.4025 13.4936 13.6320 13.6516 13.7268 13.8428 13.9469 14.0690 14.2089 14.2604 14.2605 14.3590 14.3734 14.4301 14.5107 14.6295 14.6759 14.7485 14.8844 14.9457 14.9961 15.0585 15.1430 15.2601 15.4281 15.4579 15.5016 15.5381 15.5723 15.6426 15.6832 15.7163 15.8472 15.9278 16.1562 16.2418 16.3525 16.5270 16.6145 16.6721 16.7605 16.9591 17.0522 17.1824 17.3973 17.5104 17.5937 17.7352 17.8130 17.9223 18.0623 18.1852 18.4505 18.5640 18.7386 18.9296 19.0159 19.3117 19.3848 19.5801 19.6644 19.7938 20.0244 20.0798 20.1460 20.5367 20.6610 20.7305 20.9355 21.1994 21.3701 21.3910 21.5062 21.9670 22.0322 22.1167 22.2593 22.4987 22.5253 22.7918 22.9331 23.1525 23.3353 23.3898 23.5807 23.6903 23.8690 23.9337 24.1446 24.1921 24.4319 24.7189 24.8456 24.9552 25.1081 25.2122 25.3120 25.6066 25.7379 25.8831 25.9755 26.0651 26.2181 26.4546 26.6067 26.9208 27.0828 27.3786 27.4936 27.8049 27.9218 28.0973 28.1632 28.3099 28.3571 28.4314 28.6040 28.7079 28.8098 28.8776 29.2099 29.3973 29.4476 29.5513 29.5953 29.8396 29.8521 29.8968 30.2415 30.3967 30.4819 30.5208 30.5616 30.8170 30.9042 31.1113 31.1917 31.4149 31.4833 31.5906 31.6584 31.9427 32.0643 32.1624 32.2393 32.4605 32.5379 32.7446 32.8670 32.9158 33.0689 33.2256 33.3593 33.4478 33.5492 33.6816 33.7794 33.8353 33.8721 34.1410 34.1913 34.4104 34.5828 34.7099 34.8154 34.9985 35.2657 35.3688 35.6467 35.7477 35.8330 35.8805 35.9210 36.2042 36.2588 36.5406 36.6180 36.7082 36.9635 37.1392 37.1895 37.2695 37.4092 37.6775 37.9343 38.1170 38.2613 38.4106 38.6421 38.7455 38.9808 39.0186 39.2054 39.3178 39.4405 39.6159 39.7126 39.9989 40.2453 40.3581 40.4003 40.4644 40.7489 40.7648 40.8732 41.2659 41.2731 41.4928 41.5538 41.6950 41.9336 42.0511 42.1185 42.1844 42.3464 42.5010 42.5815 42.7697 42.8410 42.9005 42.9261 43.1406 43.2057 43.3301 43.4903 43.5763 43.6819 43.7937 43.8333 44.1587 44.3085 44.3871 44.5026 44.6290 44.7102 44.8103 44.9486 45.1885 45.2207 45.6969 45.8827 46.0748 46.1483 46.2225 46.2604 46.3450 46.5123 46.7872 46.9059 47.0829 47.1800 47.2807 47.3075 47.4487 47.5497 47.7111 47.8037 47.9465 48.1732 48.2421 48.4286 48.6571 48.7743 48.8684 49.1572 49.6534 49.7576 50.0154 50.0887 50.1726 50.3662 50.9148 51.0014 51.4329 51.5804 51.6430 51.8084 52.3280 52.6150 52.9496 53.2919 53.6359 53.7713 54.1554 54.3912 54.4499 54.5849 54.8462 55.3278 55.7560 56.0308 56.3141 56.5976 56.7884 56.9804 57.2706 57.4169 57.5251 57.9139 58.3310 58.6189 58.8058 58.9241 59.1462 59.3895 59.9520 60.1355 60.4506 60.7680 60.9399 61.2936 61.6016 61.6970 62.0619 62.3120 62.4400 62.5791 62.7109 62.9647 63.0662 63.1963 63.3539 63.3981 64.0514 64.2059 64.8060 65.0363 65.2820 65.9968 66.1188 66.2835 66.5506 66.8779 67.1511 67.4905 67.6203 67.9298 68.0417 68.4014 68.5552 68.9291 69.1644 69.4785 69.8658 70.4289 70.5893 70.6799 70.8158 70.9806 71.0680 71.1874 71.2615 71.7777 71.8433 72.1516 72.2603 72.5185 72.6188 72.9083 72.9118 73.3001 73.3861 73.5820 73.8604 74.2430 74.3122 74.5442 74.8020 74.9093 75.0939 75.2337 75.4214 75.5587 75.6823 75.8025 75.8852 76.2569 76.4102 76.8683 77.1360 77.2011 77.4925 77.6686 77.7843 78.0602 78.1344 78.2892 78.4383 78.5528 78.8545 79.0573 79.1489 79.1519 79.2899 79.4410 79.5579 79.5786 79.8854 79.9771 80.0879 80.2384 80.5463 80.7333 80.8726 80.9248 81.0798 81.1869 81.3804 81.5109 81.7001 81.8221 81.9139 82.0217 82.1504 82.3057 82.4346 82.5552 82.9203 83.0942 83.2151 83.3466 83.4426 83.6121 83.8825 83.9097 83.9882 84.2167 84.4850 84.5719 84.7376 84.8847 84.9631 85.0427 85.2526 85.3427 85.3922 85.4824 85.5990 85.8190 85.9531 85.9872 86.1385 86.3536 86.4218 86.5964 86.6813 86.8459 86.8607 87.0058 87.0952 87.3490 87.5252 87.6266 87.7639 87.9816 88.0486 88.2598 88.4058 88.5081 88.6517 88.7725 88.8898 88.9528 89.0793 89.3070 89.3236 89.6612 89.8064 89.8430 90.0318 90.1309 90.3028 90.5029 90.6444 90.6997 90.8591 91.0180 91.1302 91.2401 91.4935 91.6976 91.7856 91.9314 91.9800 92.2230 92.2949 92.4954 92.5489 92.6042 92.7667 92.9244 93.1454 93.2244 93.3378 93.5957 93.6760 93.7379 93.8118 93.9804 94.3034 94.5146 94.6109 94.6651 94.7438 95.0309 95.1649 95.2669 95.3257 95.5958 95.7287 95.7634 96.1246 96.2484 96.3644 96.4966 96.6317 96.8184 97.0229 97.0875 97.0994 97.3736 97.5314 97.5659 97.8038 98.0462 98.0670 98.1550 98.1879 98.3486 98.4725 98.5728 98.8010 99.0552 99.2259 99.6504 99.7039 99.7626 99.8828 99.9599 99.9892 100.1679 100.2961 100.3916 100.7556 100.8262 100.9529 101.0564 101.3814 101.6109 101.8617 101.9300 102.0737 102.1758 102.5201 102.5467 102.7912 102.8539 102.9623 103.1848 103.2761 103.5674 103.6353 103.8391 104.0610 104.1599 104.2263 104.4589 104.7063 104.7737 104.9533 105.1747 105.3680 105.5668 105.8073 105.8854 106.0298 106.2445 106.7474 106.7866 106.8589 107.0086 107.2028 107.2964 107.4064 107.8075 108.0199 108.2869 108.5376 108.5523 108.5945 108.7378 109.0236 109.1954 109.2645 109.5081 109.6291 109.7351 109.9135 110.0221 110.2466 110.3008 110.4587 110.5557 110.6048 110.8428 110.9529 111.2561 111.3306 111.5963 111.7208 111.9226 112.0014 112.2274 112.3856 112.4677 112.5972 112.9129 112.9379 113.1283 113.2665 113.5721 113.7190 113.8025 113.9311 114.0141 114.1044 114.4935 114.5419 114.5924 114.8048 114.9750 115.0681 115.1760 115.2320 115.3139 115.4934 115.5733 115.6751 115.8251 115.9474 116.0011 116.1772 116.2994 116.6068 116.7452 116.9251 117.0452 117.2126 117.3410 117.4747 117.5173 117.7026 117.9172 117.9963 118.0547 118.1774 118.2650 118.6405 118.7438 118.9621 119.1448 119.2019 119.5454 119.8623 120.0876 120.2899 120.3688 120.5157 120.7451 120.9791 121.1303 121.5072 121.6186 122.0531 122.1903 122.2714 122.4417 122.6577 122.8718 123.1067 123.2715 123.7739 124.0233 124.0507 124.3226 124.3803 124.5712 125.0121 125.2202 125.3146 125.4083 125.8363 126.0670 126.2545 126.2970 126.6274 126.8629 126.9043 127.0726 127.5527 127.8045 128.0211 128.1887 128.3066 128.4394 129.0980 129.1574 129.2099 129.4089 129.6700 129.8821 130.0543 130.2741 130.3219 130.5158 130.7892 131.0418 131.3398 131.4146 131.6373 131.7664 131.8580 132.3626 132.4490 132.6570 133.1398 133.2917 133.7333 134.0050 134.0348 134.2202 134.4002 134.7195 134.7511 134.9874 135.1652 135.4461 135.8597 136.0737 136.3350 136.9837 137.0783 137.5805 137.8142 137.9215 138.5761 138.7971 139.0267 139.1580 139.3703 139.5026 139.7809 139.8509 139.9794 140.1510 140.5945 141.1219 141.2115 141.2860 141.5826 141.7943 142.1710 142.3347 142.4964 142.7520 142.8062 143.0753 143.3115 143.5340 143.6242 143.9678 144.2044 144.2539 144.4789 144.6912 144.8642 145.1305 145.3043 145.5110 145.6036 145.7929 145.9870 146.2178 146.3382 146.3808 146.8159 146.8979 147.0133 147.3496 147.8032 148.0173 148.1775 148.3278 148.6354 148.7420 148.9182 149.1139 149.4525 149.5768 149.9900 150.0199 150.1386 150.2837 150.3918 150.6613 150.7272 150.8622 151.0282 151.1103 151.2772 151.3592 151.5675 151.9964 152.2293 152.3591 152.6490 152.9216 152.9792 153.2141 153.4091 153.6763 153.8958 154.2161 154.5790 154.7235 154.8083 154.9858 155.5405 155.8533 155.9757 156.2747 156.4099 156.6676 156.8591 157.5248 157.5875 157.8010 157.9617 158.0704 158.0899 158.8784 159.1427 159.3864 159.5573 159.7757 159.8335 160.0056 160.2087 160.5322 160.7864 161.4095 161.7324 161.9609 163.0773 163.7033 165.7298 166.3296 166.5000 168.3560 170.5966 171.2134 171.3422 172.3247 173.7992 175.5981 175.7457 176.0640 176.8826 177.9135 179.0961 180.1330 181.6533 182.2441 182.9318 184.3307 186.5059 187.4089 187.8186 188.5408 188.7874 192.3494 192.5844 194.8263 195.7345 195.8884 196.5920 196.8382 198.2119 199.2454 204.1872 206.8331 618.1129 620.9905 626.3102 631.0681 635.6093 639.3629 639.9866 640.9165 641.1328 642.4174 642.4523 643.0266 643.9698 644.9649 646.9455 648.0208 649.9654 650.6584 651.4712 902.9317 1198.8631 1200.1482 1201.0682 1210.2660 -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 -0.286938 -0.485115 -0.434703 -0.440059 -0.096055 0.150321 0.000648 -0.130305 -0.287700 -0.283958 -0.303940 0.416677 -0.016104 0.078157 -0.228218 -0.241612 -0.079700 -0.058339 -0.068492 -0.075314 -0.135789 -0.134012 0.342740 0.340981 0.105324 0.100933 0.094067 0.098534 0.095823 0.093868 0.098620 0.098969 0.124014 0.141589 0.126107 0.094867 0.089569 0.096800 0.102905 0.084500 0.100449 0.093502 0.102024 0.093107 0.102841 0.078246 0.080925 0.078402 0.080840 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 8.2869 8.4851 8.4347 8.4401 7.0961 5.8497 5.9994 6.1303 6.2877 6.2840 6.3039 5.5833 6.0161 5.9218 6.2282 6.2416 6.0797 6.0583 6.0685 6.0753 6.1358 6.1340 5.6573 5.6590 0.8947 0.8991 0.9059 0.9015 0.9042 0.9061 0.9014 0.9010 0.8760 0.8584 0.8739 0.9051 0.9104 0.9032 0.8971 0.9155 0.8996 0.9065 0.8980 0.9069 0.8972 0.9218 0.9191 0.9216 0.9192 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 -0.2869 -0.4851 -0.4347 -0.4401 -0.0961 0.1503 0.0006 -0.1303 -0.2877 -0.2840 -0.3039 0.4167 -0.0161 0.0782 -0.2282 -0.2416 -0.0797 -0.0583 -0.0685 -0.0753 -0.1358 -0.1340 0.3427 0.3410 0.1053 0.1009 0.0941 0.0985 0.0958 0.0939 0.0986 0.0990 0.1240 0.1416 0.1261 0.0949 0.0896 0.0968 0.1029 0.0845 0.1004 0.0935 0.1020 0.0931 0.1028 0.0782 0.0809 0.0784 0.0808 2.1012 2.0190 2.0768 2.0658 3.1036 3.6875 3.8034 3.8272 3.8917 3.9090 3.8926 4.1188 3.7150 3.8677 3.9295 3.9332 3.7126 3.6690 3.9160 3.9187 3.9190 3.9151 4.1962 4.1854 1.0225 1.0285 1.0160 1.0024 1.0053 1.0025 1.0022 1.0002 1.0035 1.0159 1.0150 0.9968 1.0062 0.9962 0.9992 1.0110 0.9984 1.0155 1.0045 1.0156 1.0046 1.0065 1.0094 1.0067 1.0095 2.1012 2.0190 2.0768 2.0658 3.1036 3.6875 3.8034 3.8272 3.8917 3.9090 3.8926 4.1188 3.7150 3.8677 3.9295 3.9332 3.7126 3.6690 3.9160 3.9187 3.9190 3.9151 4.1962 4.1854 1.0225 1.0285 1.0160 1.0024 1.0053 1.0025 1.0022 1.0002 1.0035 1.0159 1.0150 0.9968 1.0062 0.9962 0.9992 1.0110 0.9984 1.0155 1.0045 1.0156 1.0046 1.0065 1.0094 1.0067 1.0095 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.1462 0.8874 1.8805 1.9972 1.9780 0.9455 1.1121 1.1229 0.9564 0.8490 0.9337 0.9275 0.9127 0.9515 0.9987 1.0173 1.0199 0.9889 0.9900 0.9987 0.9903 0.9890 0.9975 1.8606 0.9957 0.9643 0.9619 0.9823 0.9750 0.9800 0.9985 0.9819 0.9841 0.9977 0.9836 1.7366 0.9776 0.9749 0.9724 0.9594 0.9303 1.0004 0.9810 0.9291 1.0005 0.9825 0.9271 1.0062 1.0070 1.0070 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 -0.023497442 -1094.891720165640 -15.36544 16.72577 1.36033 -15.75379 14.22615 -1.52764 -1.76607 1.10633 -0.65974 2.14929 5.46306