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:1.1294,-1.7142,-1.0087;1.8618,-1.5653,1.1041;-1.6264,-1.4131,-2.7856;-1.2122,-1.144,1.7352;-1.156,-1.5834,-.5353;4.1867,.1653,0;3.0331,1.1008,.0988;2.8714,-.2485,-.6259;5.264,.5146,-1.0017;4.7355,-.5228,1.2255;2.3293,1.387,1.3705;1.9443,-1.2311,-.0501;1.0771,1.8476,1.4358;-.0232,-2.449,-.6274;.4242,2.1661,2.7445;.2446,2.0791,.2062;-2.8386,-.1248,-1.1351;-2.7067,-.0402,.189;-3.8222,.6325,-1.9466;-3.5051,.846,1.0704;-4.8708,1.2553,-1.0233;-4.238,1.8828,.2174;-1.8362,-1.0903,-1.6449;-1.6206,-.9571,.6185;3.0431,1.9279,-.6071;2.8258,-.1818,-1.7066;6.0046,1.1792,-.5521;5.7863,-.3809,-1.3442;4.858,1.0194,-1.8795;3.9935,-.7313,1.9901;5.2056,-1.4698,.9539;5.5061,.1052,1.6772;2.8803,1.2394,2.294;.1111,-2.9727,.3169;-.1927,-3.1809,-1.4133;-.4532,1.5331,2.9028;1.0988,2.0215,3.5883;.0675,3.1993,2.7681;-.8091,2.21,.4559;.5571,2.9852,-.3211;.3191,1.2586,-.5105;-3.2988,1.406,-2.5183;-4.29,-.022,-2.6861;-4.2156,.243,1.6453;-2.8587,1.3309,1.8066;-5.4432,2.0044,-1.5723;-5.5814,.483,-.7146;-5.002,2.377,.8192;-3.5311,2.6591,-.0908; 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 2216.1691103005 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 1.232e-05 Time for diagonalization 0.417 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.280 sec Total time needed 0.707 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:1.1294,-1.7142,-1.0087;1.8618,-1.5653,1.1041;-1.6264,-1.4131,-2.7856;-1.2122,-1.144,1.7352;-1.156,-1.5834,-.5353;4.1867,.1653,0;3.0331,1.1008,.0988;2.8714,-.2485,-.6259;5.264,.5146,-1.0017;4.7355,-.5228,1.2255;2.3293,1.387,1.3705;1.9443,-1.2311,-.0501;1.0771,1.8476,1.4358;-.0232,-2.449,-.6274;.4242,2.1661,2.7445;.2446,2.0791,.2062;-2.8386,-.1248,-1.1351;-2.7067,-.0402,.189;-3.8222,.6325,-1.9466;-3.5051,.846,1.0704;-4.8708,1.2553,-1.0233;-4.238,1.8828,.2174;-1.8362,-1.0903,-1.6449;-1.6206,-.9571,.6185;3.0431,1.9279,-.6071;2.8258,-.1818,-1.7066;6.0046,1.1792,-.5521;5.7863,-.3809,-1.3442;4.858,1.0194,-1.8795;3.9935,-.7313,1.9901;5.2056,-1.4698,.9539;5.5061,.1052,1.6772;2.8803,1.2394,2.294;.1111,-2.9727,.3169;-.1927,-3.1809,-1.4133;-.4532,1.5331,2.9028;1.0988,2.0215,3.5883;.0675,3.1993,2.7681;-.8091,2.21,.4559;.5571,2.9852,-.3211;.3191,1.2586,-.5105;-3.2988,1.406,-2.5183;-4.29,-.022,-2.6861;-4.2156,.243,1.6453;-2.8587,1.3309,1.8066;-5.4432,2.0044,-1.5723;-5.5814,.483,-.7146;-5.002,2.377,.8192;-3.5311,2.6591,-.0908; 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 "1-OCTANOL" 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:1.1294,-1.7142,-1.0087;1.8618,-1.5653,1.1041;-1.6264,-1.4131,-2.7856;-1.2122,-1.144,1.7352;-1.156,-1.5834,-.5353;4.1867,.1653,0;3.0331,1.1008,.0988;2.8714,-.2485,-.6259;5.264,.5146,-1.0017;4.7355,-.5228,1.2255;2.3293,1.387,1.3705;1.9443,-1.2311,-.0501;1.0771,1.8476,1.4358;-.0232,-2.449,-.6274;.4242,2.1661,2.7445;.2446,2.0791,.2062;-2.8386,-.1248,-1.1351;-2.7067,-.0402,.189;-3.8222,.6325,-1.9466;-3.5051,.846,1.0704;-4.8708,1.2553,-1.0233;-4.238,1.8828,.2174;-1.8362,-1.0903,-1.6449;-1.6206,-.9571,.6185;3.0431,1.9279,-.6071;2.8258,-.1818,-1.7066;6.0046,1.1792,-.5521;5.7863,-.3809,-1.3442;4.858,1.0194,-1.8795;3.9935,-.7313,1.9901;5.2056,-1.4698,.9539;5.5061,.1052,1.6772;2.8803,1.2394,2.294;.1111,-2.9727,.3169;-.1927,-3.1809,-1.4133;-.4532,1.5331,2.9028;1.0988,2.0215,3.5883;.0675,3.1993,2.7681;-.8091,2.21,.4559;.5571,2.9852,-.3211;.3191,1.2586,-.5105;-3.2988,1.406,-2.5183;-4.29,-.022,-2.6861;-4.2156,.243,1.6453;-2.8587,1.3309,1.8066;-5.4432,2.0044,-1.5723;-5.5814,.483,-.7146;-5.002,2.377,.8192;-3.5311,2.6591,-.0908; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2892 GEPOL Volume 2297.4104 GEPOL Surface-area 1337.8411 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1094.87437832 2216.16911030 -3311.04348862 -5894.82583513 2583.78234651 -0.03510697 -2184.91152694 1090.03714862 2.00443767 89.000111278950 89.000111278950 178.000222557901 -105.971325391337 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 -524.7006 -523.5724 -523.5644 -523.0403 -393.8923 -283.3650 -283.3062 -283.2849 -282.2977 -280.4454 -280.4167 -280.2471 -279.9944 -279.9765 -279.7796 -279.7776 -279.7297 -279.4829 -279.4766 -279.1980 -279.1935 -279.1797 -279.1455 -279.1006 -33.7191 -32.8396 -32.3518 -31.2035 -29.6732 -27.3294 -26.7955 -25.1432 -24.8821 -23.8790 -23.4655 -22.9049 -22.0170 -21.8179 -21.7293 -21.2676 -20.9551 -20.0914 -19.7473 -18.8106 -18.1647 -18.0195 -17.6846 -17.1895 -17.0057 -16.4655 -16.3804 -16.0394 -15.7889 -15.6148 -15.3862 -15.2365 -15.0263 -14.9198 -14.7101 -14.6493 -14.4746 -14.3103 -14.0873 -13.9635 -13.8915 -13.7804 -13.6513 -13.4922 -13.1092 -13.0097 -12.9801 -12.8174 -12.5834 -12.4426 -12.3226 -12.0027 -11.7758 -11.6376 -11.4921 -11.4566 -11.3704 -10.8531 -10.7280 -10.5648 -10.3832 -10.1705 -10.0542 -9.6442 -8.5749 -0.3861 1.8449 2.7415 2.9923 3.2537 3.5116 3.7444 3.8743 4.0094 4.0995 4.2485 4.5332 4.6688 4.7621 4.8333 4.9528 5.0330 5.1069 5.1749 5.2250 5.3115 5.4849 5.5703 5.6346 5.8088 5.8355 6.0697 6.1727 6.3429 6.4139 6.5681 6.6530 6.6597 6.7275 6.8230 6.9075 7.1008 7.1883 7.2714 7.4169 7.5464 7.5845 7.6494 7.7390 7.8518 7.9545 8.1267 8.2421 8.4209 8.6455 8.6735 8.8376 9.0564 9.0675 9.2415 9.3139 9.4536 9.5468 9.6561 9.7319 9.7907 10.0704 10.1684 10.3976 10.5699 10.6156 10.6870 10.9162 11.0596 11.1588 11.2474 11.3540 11.4261 11.5747 11.6400 11.8716 12.0191 12.2122 12.3035 12.3820 12.5234 12.7025 12.8217 12.9298 12.9765 13.1256 13.2017 13.3094 13.3675 13.4804 13.5357 13.5781 13.6365 13.7446 13.9129 13.9312 14.0484 14.1263 14.1811 14.2648 14.2913 14.4145 14.4775 14.6123 14.6427 14.7847 14.8473 14.9582 14.9985 15.0464 15.1094 15.2165 15.4109 15.4803 15.5337 15.5948 15.7072 15.7874 15.8597 15.9730 16.1142 16.2235 16.3663 16.4027 16.5364 16.6370 17.0093 17.0446 17.1277 17.1667 17.2999 17.4546 17.5258 17.5539 17.5952 17.8291 17.9537 18.1597 18.3406 18.4359 18.5510 18.7682 18.9528 19.2141 19.2506 19.4427 19.6867 19.7845 19.8285 20.1215 20.2371 20.3537 20.5151 20.7046 20.8514 21.0474 21.0993 21.2288 21.3585 21.7421 21.8044 22.1280 22.2040 22.2850 22.5690 22.7491 22.8603 22.9142 23.0369 23.1834 23.3020 23.4781 23.5895 23.8107 23.8358 24.1081 24.3466 24.5133 24.6212 24.7954 24.8291 25.1768 25.3242 25.4890 25.6779 25.7625 25.9318 26.0141 26.2272 26.3375 26.5108 26.6918 26.7498 26.8171 27.2159 27.2934 27.5363 27.7459 27.8898 28.0079 28.1290 28.3000 28.5208 28.5747 28.6780 28.8277 28.9669 29.1389 29.2236 29.3441 29.4913 29.6278 29.8179 29.9486 30.1440 30.2768 30.4145 30.4533 30.5308 30.6447 30.7611 30.9543 31.1035 31.1163 31.1665 31.2811 31.4954 31.5738 31.5998 31.6443 31.9144 31.9772 32.0749 32.4226 32.6115 32.7279 32.9908 33.0472 33.2115 33.2536 33.4754 33.5719 33.6031 33.8534 33.9199 33.9760 34.1259 34.2181 34.3918 34.4535 34.4773 34.8160 34.9039 35.0898 35.2216 35.3913 35.5306 35.5715 35.8429 35.9692 36.1831 36.2564 36.3243 36.7328 36.8512 36.9924 37.1338 37.1583 37.2672 37.3406 37.5814 37.8259 37.9311 38.2637 38.3667 38.4639 38.5153 38.6284 38.9863 39.2245 39.3790 39.4910 39.6004 39.7775 39.8550 40.1270 40.2409 40.3187 40.4937 40.5691 40.7965 40.8473 41.1460 41.2462 41.4096 41.6496 41.7017 41.7668 41.9971 42.0595 42.2702 42.3205 42.5168 42.6207 42.6593 42.8700 42.8738 42.9832 43.0624 43.1783 43.4200 43.4844 43.6395 43.7719 43.8772 43.9742 44.0802 44.2312 44.3988 44.5589 44.7562 44.7993 44.9087 45.0311 45.1691 45.2886 45.3951 45.5732 45.6364 46.0560 46.1514 46.3192 46.4168 46.7626 46.8972 47.0068 47.0375 47.2723 47.4521 47.5883 47.7256 47.8030 47.8638 48.0004 48.1773 48.4391 48.4784 48.5803 48.8555 48.8773 49.0268 49.3005 49.3793 49.7180 49.7286 50.1236 50.4840 50.5397 50.9179 51.0534 51.3385 51.7318 51.9613 52.1579 52.4392 52.6024 52.7067 52.8367 52.9917 53.3440 53.4563 53.7742 54.2148 54.3597 54.6769 54.8995 55.4690 55.7324 56.0664 56.2642 56.4601 56.6382 57.2210 57.2986 57.5063 57.7023 57.9308 58.2107 58.3860 58.8419 59.0895 59.3802 59.6246 59.8027 60.0926 60.4481 60.5979 61.0640 61.2683 61.5351 61.6565 61.9194 62.0114 62.3668 62.6832 62.7502 63.1172 63.2281 63.3331 63.4755 63.5846 63.8151 64.2170 64.4276 64.5921 64.9911 65.2593 65.3639 65.6284 65.7529 66.3067 66.3992 66.6919 66.9400 67.5536 67.8588 68.0738 68.3874 68.6051 68.9894 69.1465 69.2874 69.5239 70.1341 70.2329 70.6530 70.7519 71.1850 71.3333 71.4766 71.6338 71.8181 71.9637 72.2177 72.3333 72.6018 72.8148 73.0941 73.3558 73.5566 73.7726 73.9319 74.1335 74.3383 74.5747 74.6674 74.8960 75.1051 75.3279 75.5010 75.6064 75.7152 75.8905 76.1119 76.4413 76.6185 76.8802 76.9076 76.9957 77.3810 77.5600 77.7505 77.8608 77.9129 78.2098 78.3743 78.4635 78.6986 78.9611 78.9907 79.0714 79.2612 79.4033 79.5193 79.6188 79.7606 79.9609 80.0387 80.3157 80.3752 80.6716 80.7317 81.0327 81.0711 81.2574 81.3590 81.5135 81.6566 81.7588 81.9255 82.0619 82.1641 82.3425 82.4232 82.6648 82.7155 83.0585 83.2354 83.3549 83.3655 83.6194 83.7731 83.9095 84.0451 84.1568 84.2333 84.3214 84.4254 84.7232 84.8332 85.0149 85.0803 85.3173 85.4720 85.6707 85.7880 85.9686 86.0651 86.1260 86.2172 86.4195 86.5304 86.7186 86.8280 86.9758 87.0848 87.1720 87.2744 87.4347 87.6410 87.8772 87.9706 88.0386 88.1338 88.2210 88.3548 88.5301 88.6813 88.7469 88.8728 89.1283 89.2258 89.3017 89.3300 89.5563 89.6538 89.9630 89.9885 90.1047 90.2127 90.3606 90.6640 90.7109 90.7980 90.8750 91.1512 91.2825 91.4232 91.5809 91.7878 91.9310 92.0293 92.1584 92.2939 92.4204 92.6132 92.8251 92.9031 92.9510 93.1395 93.3698 93.5201 93.5846 93.7267 93.9025 94.0213 94.3194 94.6418 94.7278 94.7621 94.8461 95.1413 95.1687 95.2030 95.2559 95.4797 95.6226 95.7072 95.7786 95.9377 96.0428 96.2488 96.3227 96.4861 96.8453 96.9063 96.9519 97.0945 97.2106 97.4617 97.4708 97.5654 97.8142 98.0574 98.0967 98.2452 98.4976 98.5654 98.6899 98.8173 98.9992 99.1215 99.2583 99.6087 99.6657 99.9613 100.0225 100.1081 100.2869 100.3490 100.6538 100.7370 100.8409 100.9620 101.0858 101.1627 101.3707 101.5623 101.8482 101.9683 102.0259 102.2944 102.3556 102.4280 102.5905 103.0106 103.0733 103.1853 103.2509 103.5425 103.6475 103.7125 103.8959 104.2222 104.3135 104.4151 104.5681 104.7678 104.9764 105.0659 105.1299 105.3239 105.6851 105.8421 106.2522 106.3822 106.5333 106.7882 106.8693 107.1872 107.2622 107.3600 107.5463 107.7134 108.0100 108.2780 108.4624 108.6293 108.8170 108.8978 109.0747 109.1257 109.3805 109.4798 109.7685 109.8351 109.9181 110.2725 110.4110 110.5738 110.7266 110.8118 110.9450 111.0467 111.2199 111.2538 111.4313 111.6148 111.7193 111.8999 112.0028 112.0422 112.2071 112.4050 112.4795 112.9244 112.9859 113.1684 113.4594 113.5669 113.7410 113.8336 113.9660 114.1229 114.2700 114.3611 114.4335 114.5905 114.7193 114.8642 115.0690 115.1467 115.2948 115.4379 115.5974 115.7777 115.8405 116.0110 116.1108 116.1810 116.3174 116.3834 116.7370 116.7946 116.8261 116.9943 117.2324 117.3120 117.6424 117.8165 117.9078 118.0911 118.2281 118.4124 118.6169 118.8710 118.9554 119.2042 119.3075 119.4135 119.5963 119.6410 119.8814 120.1859 120.3416 120.5660 120.7288 120.9516 121.2016 121.4240 121.4426 121.4917 121.7294 122.2140 122.4498 122.6206 122.6984 122.8343 123.0184 123.2211 123.6224 123.6788 124.0101 124.2005 124.3743 124.6060 124.7442 125.1381 125.3588 125.4448 125.5243 126.1465 126.4082 126.5125 126.6578 126.7150 127.0399 127.2306 127.4338 127.8624 128.0954 128.2090 128.3855 128.5657 128.9552 129.1330 129.4304 129.4961 129.7652 129.9395 130.1578 130.3738 130.4185 130.6633 130.8073 131.1078 131.4379 131.6236 131.9685 132.1654 132.3962 132.7772 132.9038 133.1368 133.4386 133.6517 133.7244 133.8731 133.9740 134.3954 134.4192 134.5998 134.7717 134.9234 135.3221 135.6645 135.8493 135.9568 136.4872 136.5138 136.8425 137.1490 137.5350 137.8344 137.9226 138.1925 138.6968 139.0624 139.1888 139.3293 139.5340 139.6436 139.9333 139.9419 140.1414 140.2334 140.2977 140.8904 141.0617 141.3076 141.5416 141.9088 142.0297 142.3448 142.5550 142.8085 143.2154 143.4850 143.6034 143.7592 143.9155 144.1726 144.3216 144.5276 144.7083 145.1456 145.3511 145.4315 145.5390 145.7446 145.9135 146.0528 146.0758 146.3147 146.5463 146.9047 146.9648 147.2755 147.7819 148.0175 148.3039 148.3282 148.5935 148.9023 149.0729 149.3109 149.3476 149.7413 149.9364 149.9973 150.0154 150.5374 150.7291 150.8758 150.8998 151.0013 151.1817 151.3555 151.4305 151.4801 151.7281 151.8382 152.1082 152.4401 152.6868 152.7860 153.1024 153.1528 153.4321 153.8715 154.0058 154.2654 154.4076 154.6614 154.9762 155.1798 155.5149 155.7667 155.8621 156.1868 156.4542 156.5564 156.9475 157.4397 157.6897 157.7851 157.9660 158.1815 158.6181 158.6558 159.2187 159.5005 159.5926 159.8124 159.9803 160.1049 160.2728 160.6293 160.7346 161.2383 161.3132 161.6567 161.7533 163.4175 164.4108 166.0537 166.7723 166.9381 168.6214 170.6133 171.7369 172.0916 172.8734 173.7400 175.8715 176.2223 176.4103 176.7765 178.6752 179.6117 180.5712 181.7199 182.1600 182.8550 185.6357 186.7574 187.7030 187.9426 189.2893 190.1304 192.2181 192.7002 194.3938 195.7141 196.4215 196.8683 197.1608 198.9790 199.6255 204.6672 206.8314 619.5738 622.9451 626.0283 633.5511 635.9100 638.6357 639.9670 640.0511 641.1665 642.4309 642.8437 643.8118 643.9277 645.0832 647.1576 647.9040 649.8638 650.9171 651.2942 903.3528 1199.6870 1201.5797 1202.4991 1210.8708 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 -0.285608 -0.440121 -0.409146 -0.396324 -0.082606 0.134428 -0.025272 -0.099356 -0.264131 -0.296882 -0.262451 0.371480 -0.014102 0.071854 -0.216892 -0.271928 -0.050092 -0.090325 -0.068783 -0.086816 -0.135497 -0.134457 0.317705 0.281915 0.112624 0.093039 0.094790 0.096171 0.086387 0.094871 0.100403 0.098201 0.120029 0.130287 0.134268 0.080537 0.091214 0.102246 0.086062 0.124005 0.086367 0.100011 0.094215 0.110547 0.097347 0.080871 0.077755 0.083677 0.077485 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 8.2856 8.4401 8.4091 8.3963 7.0826 5.8656 6.0253 6.0994 6.2641 6.2969 6.2625 5.6285 6.0141 5.9281 6.2169 6.2719 6.0501 6.0903 6.0688 6.0868 6.1355 6.1345 5.6823 5.7181 0.8874 0.9070 0.9052 0.9038 0.9136 0.9051 0.8996 0.9018 0.8800 0.8697 0.8657 0.9195 0.9088 0.8978 0.9139 0.8760 0.9136 0.9000 0.9058 0.8895 0.9027 0.9191 0.9222 0.9163 0.9225 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 -0.2856 -0.4401 -0.4091 -0.3963 -0.0826 0.1344 -0.0253 -0.0994 -0.2641 -0.2969 -0.2625 0.3715 -0.0141 0.0719 -0.2169 -0.2719 -0.0501 -0.0903 -0.0688 -0.0868 -0.1355 -0.1345 0.3177 0.2819 0.1126 0.0930 0.0948 0.0962 0.0864 0.0949 0.1004 0.0982 0.1200 0.1303 0.1343 0.0805 0.0912 0.1022 0.0861 0.1240 0.0864 0.1000 0.0942 0.1105 0.0973 0.0809 0.0778 0.0837 0.0775 2.1002 2.0527 2.1073 2.1073 3.0918 3.7659 3.8111 3.8244 3.8965 3.8906 3.8312 4.1369 3.6839 3.9116 3.9086 3.9618 3.6471 3.6136 3.9148 3.9157 3.9142 3.9045 4.2000 4.1861 1.0035 1.0325 1.0024 1.0025 1.0043 1.0175 1.0004 0.9985 1.0029 1.0196 1.0028 1.0056 1.0106 0.9935 1.0060 0.9989 1.0011 1.0069 1.0144 1.0068 1.0113 1.0096 1.0066 1.0102 1.0072 2.1002 2.0527 2.1073 2.1073 3.0918 3.7659 3.8111 3.8244 3.8965 3.8906 3.8312 4.1369 3.6839 3.9116 3.9086 3.9618 3.6471 3.6136 3.9148 3.9157 3.9142 3.9045 4.2000 4.1861 1.0035 1.0325 1.0024 1.0025 1.0043 1.0175 1.0004 0.9985 1.0029 1.0196 1.0028 1.0056 1.0106 0.9935 1.0060 0.9989 1.0011 1.0069 1.0144 1.0068 1.0113 1.0096 1.0066 1.0102 1.0072 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1376 0.9035 1.8987 2.0326 2.0344 0.9430 1.1000 1.1353 0.9650 0.9204 0.9324 0.9197 0.8669 0.9490 1.0035 1.0065 1.0220 0.9940 0.9950 0.9828 1.0001 0.9891 0.9908 1.8345 1.0028 0.9516 0.9530 0.9860 0.9737 0.9785 1.0013 0.9874 0.9991 0.9842 0.9866 1.7072 0.9814 0.9635 0.9771 0.9216 0.9275 0.9856 0.9971 0.9236 0.9790 1.0087 0.9253 1.0075 1.0061 1.0083 1.0075 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 -0.028447204 -1094.902825525766 6.12207 -7.31645 -1.19438 19.50048 -17.91408 1.58640 5.23817 -5.99876 -0.76059 2.12643 5.40496