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 O O O O N N N C 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 1 1 1 1 2 2 2 3 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 4 346.23169999999976 AuxInfo=1/0/N:11,12,26,24,25,22,23,17,18,20,21,13,16,10,14,19,15,8,9,27,7,6,5,3,4,2,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1/rA:46nOOOO1NN2N2C3C3C3CCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s2;;s1s5s8;s6s8;s10;s5;s7s8;;s1;s2s14;s14;s14;;s17s19;s18s19;s15;s15;s22;s23;s24s25;s3s4s19;s11;s11;s11;s12;s12;s12;s13;s16;s16;s17;s18;s20;s21;s22;s23;s24;s25;s26;s3;/rC:1.4429,-.9844,.5212;.5377,1.0416,-1.1665;-6.3574,.8816,1.3893;-5.0225,.4868,3.1292;3.7376,-.9051,.8611;4.7638,-.049,.8859;.9557,2.2553,-.694;2.8792,1.0368,.2809;2.5975,-.3045,.4947;4.2691,1.1224,.5529;5.128,2.3339,.4755;3.9208,-2.2947,1.2052;2.0543,2.1795,-.0568;-1.868,1.0683,-.7504;1.0372,-1.7128,-.5716;-.7399,1.1334,-1.7445;-1.6666,.8262,.6043;-3.1721,1.2137,-1.2202;-4.0481,.8564,.9923;-2.7465,.7219,1.4655;-4.2529,1.1081,-.365;-.2023,-2.3259,-.4556;1.7943,-1.8453,-1.7255;-.6901,-3.076,-1.5143;1.2922,-2.6045,-2.7748;.0532,-3.2209,-2.6789;-5.1661,.722,1.9521;4.7739,3.1199,1.1449;6.1532,2.0948,.7539;5.142,2.7512,-.5325;4.8598,-2.3875,1.7423;3.1146,-2.6373,1.8506;3.9578,-2.9236,.316;2.4215,3.148,.2669;-.8143,.283,-2.4276;-.8232,2.0404,-2.3526;-.6701,.7083,1.006;-3.3447,1.4064,-2.2729;-2.568,.5301,2.5155;-5.2514,1.221,-.7649;-.7813,-2.2093,.4521;2.7576,-1.3615,-1.829;-1.6594,-3.5495,-1.4251;1.8819,-2.7075,-3.6767;-.3297,-3.8082,-3.5031;-7.0543,.779,2.0552; 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 1532 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 192 Dim 1103 ENuc 2428.2007945057 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 5.745e-06 Time for diagonalization 0.552 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.518 sec Total time needed 1.083 sec 8 8 8 8 7 7 7 6 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 1 346.23169999999976 AuxInfo=1/0/N:11,12,26,24,25,22,23,17,18,20,21,13,16,10,14,19,15,8,9,27,7,6,5,3,4,2,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1/rA:46nOOOO1NN2N2C3C3C3CCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s2;;s1s5s8;s6s8;s10;s5;s7s8;;s1;s2s14;s14;s14;;s17s19;s18s19;s15;s15;s22;s23;s24s25;s3s4s19;s11;s11;s11;s12;s12;s12;s13;s16;s16;s17;s18;s20;s21;s22;s23;s24;s25;s26;s3;/rC:1.4429,-.9844,.5212;.5377,1.0416,-1.1665;-6.3574,.8816,1.3893;-5.0225,.4868,3.1292;3.7376,-.9051,.8611;4.7638,-.049,.8859;.9557,2.2553,-.694;2.8792,1.0368,.2809;2.5975,-.3045,.4947;4.2691,1.1224,.5529;5.128,2.3339,.4755;3.9208,-2.2947,1.2052;2.0543,2.1795,-.0568;-1.868,1.0683,-.7504;1.0372,-1.7128,-.5716;-.7399,1.1334,-1.7445;-1.6666,.8262,.6043;-3.1721,1.2137,-1.2202;-4.0481,.8564,.9923;-2.7465,.7219,1.4655;-4.2529,1.1081,-.365;-.2023,-2.3259,-.4556;1.7943,-1.8453,-1.7255;-.6901,-3.076,-1.5143;1.2922,-2.6045,-2.7748;.0532,-3.2209,-2.6789;-5.1661,.722,1.9521;4.7739,3.1199,1.1449;6.1532,2.0948,.7539;5.142,2.7512,-.5325;4.8598,-2.3875,1.7423;3.1146,-2.6373,1.8506;3.9578,-2.9236,.316;2.4215,3.148,.2669;-.8143,.283,-2.4276;-.8232,2.0404,-2.3526;-.6701,.7083,1.006;-3.3447,1.4064,-2.2729;-2.568,.5301,2.5155;-5.2514,1.221,-.7649;-.7813,-2.2093,.4521;2.7576,-1.3615,-1.829;-1.6594,-3.5495,-1.4251;1.8819,-2.7075,-3.6767;-.3297,-3.8082,-3.5031;-7.0543,.779,2.0552; 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" 346.23169999999976 AuxInfo=1/0/N:11,12,26,24,25,22,23,17,18,20,21,13,16,10,14,19,15,8,9,27,7,6,5,3,4,2,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1/rA:46nOOOO1NN2N2C3C3C3CCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s2;;s1s5s8;s6s8;s10;s5;s7s8;;s1;s2s14;s14;s14;;s17s19;s18s19;s15;s15;s22;s23;s24s25;s3s4s19;s11;s11;s11;s12;s12;s12;s13;s16;s16;s17;s18;s20;s21;s22;s23;s24;s25;s26;s3;/rC:1.4429,-.9844,.5212;.5377,1.0416,-1.1665;-6.3574,.8816,1.3893;-5.0225,.4868,3.1292;3.7376,-.9051,.8611;4.7638,-.049,.8859;.9557,2.2553,-.694;2.8792,1.0368,.2809;2.5975,-.3045,.4947;4.2691,1.1224,.5529;5.128,2.3339,.4755;3.9208,-2.2947,1.2052;2.0543,2.1795,-.0568;-1.868,1.0683,-.7504;1.0372,-1.7128,-.5716;-.7399,1.1334,-1.7445;-1.6666,.8262,.6043;-3.1721,1.2137,-1.2202;-4.0481,.8564,.9923;-2.7465,.7219,1.4655;-4.2529,1.1081,-.365;-.2023,-2.3259,-.4556;1.7943,-1.8453,-1.7255;-.6901,-3.076,-1.5143;1.2922,-2.6045,-2.7748;.0532,-3.2209,-2.6789;-5.1661,.722,1.9521;4.7739,3.1199,1.1449;6.1532,2.0948,.7539;5.142,2.7512,-.5325;4.8598,-2.3875,1.7423;3.1146,-2.6373,1.8506;3.9578,-2.9236,.316;2.4215,3.148,.2669;-.8143,.283,-2.4276;-.8232,2.0404,-2.3526;-.6701,.7083,1.006;-3.3447,1.4064,-2.2729;-2.568,.5301,2.5155;-5.2514,1.221,-.7649;-.7813,-2.2093,.4521;2.7576,-1.3615,-1.829;-1.6594,-3.5495,-1.4251;1.8819,-2.7075,-3.6767;-.3297,-3.8082,-3.5031;-7.0543,.779,2.0552; 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 2737 GEPOL Volume 2450.5525 GEPOL Surface-area 1392.1579 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1238.79211615 2428.20079451 -3666.99291065 -6513.20055884 2846.20764819 -0.03585555 -2472.40688084 1233.61476470 2.00419689 96.000166412864 96.000166412864 192.000332825728 -118.154419815337 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 1094 1095 1096 1097 1098 1099 1100 1101 1102 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 -524.9879 -524.6825 -524.6121 -523.1038 -394.7290 -393.8492 -392.9439 -283.5166 -282.4660 -281.7052 -281.0677 -280.8071 -280.5787 -280.5024 -280.2738 -280.1816 -280.0426 -279.9941 -279.8962 -279.8617 -279.8441 -279.8216 -279.8005 -279.7885 -279.7407 -279.6258 -279.4196 -33.6674 -33.6380 -33.3580 -32.0846 -31.0339 -27.4565 -26.9183 -26.8434 -26.4708 -25.0287 -24.5626 -23.7573 -23.7079 -23.5465 -23.3968 -22.3697 -21.7968 -20.7872 -20.5963 -20.0474 -19.7827 -19.6441 -19.0156 -18.5799 -18.3890 -17.7885 -17.5413 -17.0458 -16.5663 -16.3791 -16.3712 -16.2184 -16.0232 -15.7030 -15.6817 -15.5103 -15.1665 -14.9393 -14.7314 -14.5503 -14.3666 -14.3073 -14.2570 -14.1685 -14.0435 -13.8790 -13.7511 -13.5621 -13.3134 -13.2263 -13.0068 -12.9426 -12.6842 -12.4884 -12.4666 -12.2537 -11.9493 -11.9112 -11.7061 -10.9581 -10.5922 -10.4500 -10.2163 -9.6071 -9.4691 -9.2731 -9.2238 -8.7913 -8.5637 0.5056 1.2141 1.5135 1.7434 1.8975 2.6688 3.3108 3.5428 3.7060 3.8229 3.9059 3.9408 4.1996 4.4164 4.5618 4.7860 4.8102 4.9410 5.0984 5.1936 5.2940 5.3708 5.4266 5.5275 5.5452 5.7136 5.8750 5.9160 6.0158 6.0830 6.1987 6.2941 6.5130 6.5586 6.6517 6.8245 6.9372 7.1715 7.3808 7.4224 7.7298 7.7634 8.0016 8.0216 8.0824 8.2363 8.3424 8.4017 8.4528 8.5479 8.5825 8.7348 8.7721 8.8554 8.9979 9.0670 9.1291 9.2971 9.4603 9.5387 9.6829 9.8295 9.9561 10.0529 10.1647 10.2290 10.2785 10.5101 10.6308 10.8264 10.8807 10.9536 11.0585 11.1180 11.2427 11.3440 11.4594 11.6386 11.7491 11.8219 12.0027 12.1198 12.1950 12.3481 12.4320 12.4511 12.5970 12.6725 12.8324 12.9470 13.0377 13.1279 13.2804 13.3321 13.4228 13.5246 13.5969 13.6606 13.7632 13.8339 13.9746 14.0332 14.1099 14.1917 14.2445 14.4659 14.6028 14.6321 14.7390 14.8303 14.8846 15.0040 15.0656 15.1530 15.2418 15.2987 15.4060 15.4912 15.5804 15.6685 15.7450 15.7719 15.9550 15.9984 16.0505 16.0764 16.2776 16.4216 16.5795 16.7164 16.8098 16.9212 17.1207 17.2413 17.4555 17.5083 17.6005 17.8281 17.9015 18.1208 18.2518 18.4278 18.6595 18.7681 18.9375 19.0143 19.2334 19.2916 19.4543 19.6095 19.8188 20.0080 20.0894 20.1837 20.3332 20.3630 20.4423 20.6542 20.7365 20.8694 20.9384 21.0908 21.2282 21.2642 21.5268 21.5400 21.6862 21.7881 21.8997 21.9086 22.0154 22.3588 22.4871 22.5777 22.6597 22.8055 22.8739 23.0523 23.1365 23.2574 23.4053 23.5317 23.6790 23.7467 23.9049 24.0477 24.2024 24.4657 24.6097 24.7527 25.0279 25.0586 25.1616 25.2781 25.5301 25.7371 25.8777 25.9853 26.1269 26.2702 26.3824 26.4863 26.5101 26.7004 26.8420 26.8750 27.1151 27.4529 27.4706 27.6124 27.7334 27.7963 28.2523 28.4300 28.5678 28.6950 28.7889 28.9733 29.1351 29.2430 29.2773 29.4787 29.5565 29.6394 29.8051 29.9986 30.0700 30.2779 30.4382 30.5922 30.7142 30.8139 30.9740 31.1153 31.4020 31.5650 31.6209 31.7108 32.0067 32.1447 32.2583 32.3075 32.5573 32.6178 32.6954 32.8617 32.9081 33.0648 33.2187 33.3283 33.4099 33.5003 33.6673 33.6829 34.0465 34.1447 34.5457 34.7312 34.7950 34.8609 35.1608 35.2014 35.3827 35.4543 35.6790 35.8149 36.0509 36.2483 36.3092 36.4962 36.6276 36.7627 37.0825 37.3233 37.4257 37.5387 37.6002 37.6374 37.8313 37.9278 38.1241 38.2726 38.5026 38.6995 38.7664 38.9972 39.0562 39.2750 39.3937 39.5122 39.5628 39.6389 39.8801 39.9843 40.0994 40.3532 40.3687 40.6547 40.7048 40.8276 40.8852 41.2390 41.2877 41.4822 41.6680 41.8428 41.9647 41.9794 42.1989 42.2799 42.5870 42.5916 42.8496 42.9303 43.0612 43.1512 43.1783 43.3267 43.5255 43.5809 43.8400 43.9143 43.9600 44.0244 44.2382 44.4458 44.6108 44.7055 44.8229 44.9770 45.1254 45.2643 45.6337 45.7079 45.7928 45.8962 46.0841 46.1543 46.5360 46.7356 46.7688 46.8240 47.0241 47.1753 47.3957 47.4555 47.5666 47.9015 48.1989 48.3762 48.5921 48.7719 48.8167 48.8805 49.1001 49.2026 49.4471 49.6393 49.8702 50.1948 50.2652 50.4484 50.5116 50.8743 51.1222 51.1568 51.3206 51.7634 51.8314 52.0215 52.2588 52.3488 52.6845 52.8426 53.0317 53.2137 53.4123 53.4433 53.8534 54.1007 54.1945 54.3382 54.7002 54.8918 55.2201 55.5977 55.6527 56.3105 56.4085 56.6517 56.8558 56.9433 57.1707 57.2714 57.4499 57.5437 57.7913 58.0661 58.0804 58.3162 58.3635 58.7237 58.7611 58.8852 59.2001 59.3621 59.4553 59.5746 59.9752 60.3187 60.5105 60.6413 61.0441 61.2482 61.2994 62.2108 62.4355 62.5805 63.0049 63.3474 63.7962 64.0181 64.2626 64.4979 64.6907 64.8663 65.1592 65.2629 65.5177 65.7351 65.8956 66.3345 66.5296 66.7001 66.9002 67.2008 67.3339 67.3986 67.6822 67.9072 68.0361 68.2800 68.3591 68.7105 68.8880 68.9979 69.3221 69.4168 69.8116 70.1676 70.4128 70.5167 71.1900 71.3007 71.5217 71.7862 72.0488 72.3719 72.7054 73.1565 73.2832 73.4724 73.7494 73.8244 74.0483 74.2812 74.3090 74.5269 74.6601 75.0162 75.3413 75.5624 75.6314 75.9909 76.0743 76.4459 76.4902 76.8246 76.8799 76.9853 77.2715 77.5069 77.6935 77.7506 78.0318 78.1905 78.2530 78.4636 78.5441 78.6937 78.8383 78.8663 79.0868 79.2063 79.2553 79.3874 79.4245 79.5338 79.7838 79.9229 80.0692 80.2067 80.3065 80.3381 80.5796 80.7170 81.0567 81.1290 81.2218 81.4206 81.4822 81.6779 81.8493 81.9078 82.0803 82.2045 82.3612 82.6022 82.8076 82.8856 82.9775 83.1370 83.4147 83.5511 83.7142 83.8309 84.0579 84.1931 84.2724 84.4195 84.4947 84.6652 84.8890 84.9147 85.1049 85.3485 85.4409 85.5606 85.5899 85.6306 85.7376 85.8408 85.9528 86.0714 86.1802 86.3239 86.4202 86.5220 86.6734 86.7960 86.9308 87.1527 87.2954 87.3198 87.6394 87.7804 87.8377 88.1416 88.2752 88.4152 88.4641 88.5456 88.7686 88.8608 89.1727 89.2700 89.3246 89.4903 89.7370 89.7692 89.8923 90.1591 90.1941 90.2897 90.4595 90.6169 90.6615 90.8465 90.9717 91.1132 91.3107 91.3655 91.4224 91.6779 91.6988 91.8657 92.0484 92.2322 92.3704 92.4947 92.6091 92.8340 92.9300 93.1168 93.1770 93.3274 93.4984 93.5533 93.5896 93.8324 93.9259 94.0292 94.0662 94.1980 94.2452 94.3870 94.5869 94.7434 94.8633 95.0245 95.2153 95.3452 95.5162 95.7129 95.8772 95.9945 96.0477 96.2977 96.4460 96.5783 96.7230 96.8392 96.9270 97.0797 97.2078 97.3777 97.4334 97.5543 97.7511 98.0326 98.1225 98.3216 98.4320 98.6148 98.7264 98.8068 98.9785 99.0467 99.3005 99.4162 99.5619 99.6211 99.7550 99.9681 100.0095 100.2819 100.5667 100.6691 100.7959 100.8967 101.2546 101.2978 101.6253 101.7611 101.8773 102.2849 102.4077 102.4628 102.6895 102.7782 102.9396 103.1166 103.1845 103.3591 103.5643 103.7571 103.8572 104.1508 104.2338 104.4182 104.6882 104.8437 105.0301 105.3615 105.4495 105.5439 105.7338 105.7727 105.9389 105.9556 106.1125 106.2814 106.4082 106.5350 106.6446 106.8473 107.0741 107.2003 107.2910 107.3945 107.6245 107.9103 107.9693 108.1544 108.3498 108.4992 108.6657 108.8925 109.1506 109.3228 109.4481 109.4958 109.6572 109.8474 110.1015 110.3379 110.5420 110.5870 110.6811 110.7841 111.0905 111.1120 111.3369 111.4444 111.6464 111.8924 111.9288 112.0355 112.3022 112.4965 112.7478 113.0272 113.3392 113.5019 113.5811 113.6794 113.7967 114.0209 114.1863 114.3973 114.5398 114.8628 114.9204 115.0682 115.2146 115.3410 115.4329 115.5112 115.7163 116.1076 116.2023 116.3558 116.5526 116.7022 117.2506 117.3508 117.4620 117.6263 117.7483 118.1460 118.2325 118.2957 118.4019 118.5349 118.5886 118.8123 118.9482 119.0787 119.1329 119.2534 119.4432 119.5680 119.6307 119.8855 120.1629 120.1692 120.2872 120.6253 120.7810 120.9049 120.9542 121.0357 121.3317 121.5386 121.9050 121.9930 122.2118 122.4849 122.7044 122.8317 123.1079 123.3822 123.5340 123.9542 124.3688 124.6538 124.7899 125.3185 125.6561 126.5036 126.7782 126.9009 127.0280 127.2853 127.4098 127.6559 128.1945 128.3625 128.6436 128.6895 129.1849 129.4154 129.5466 129.7736 129.9828 130.1835 130.4154 130.9109 130.9484 131.1989 131.3953 131.6582 131.6980 131.8254 131.9353 132.1375 132.4016 132.7181 132.8749 133.0169 133.2024 133.4422 133.6018 133.9354 134.0368 134.1876 134.6137 134.7234 134.8629 135.0300 135.2398 135.6100 135.6585 136.2031 136.6831 136.7240 136.8063 137.1975 137.3197 137.6688 138.0241 138.1097 138.3420 138.5468 138.8248 138.9670 139.3200 139.4866 139.7533 140.0202 140.2666 140.5012 140.7705 140.8247 141.2332 141.5285 141.7692 142.0735 142.1533 142.5860 142.8752 142.9019 143.0311 143.5129 144.2131 144.4374 144.5739 144.6911 145.2447 145.3906 145.4916 145.9442 146.1442 146.1572 146.7598 146.7670 147.0438 147.3006 147.4053 147.6891 148.1211 148.2535 148.3483 148.6219 148.7799 148.9482 149.1691 149.3114 149.5403 149.8763 149.9416 150.1686 150.3811 150.6292 150.7726 150.9525 151.1158 151.2559 151.2830 152.1166 152.4480 152.6096 152.6918 153.1913 153.3273 153.7631 154.0919 154.2706 155.4807 155.6529 155.8748 156.3985 156.4865 156.6888 156.7127 156.8437 157.1722 157.2811 157.7113 158.0314 158.5528 158.9239 159.1720 159.3601 159.7407 160.2872 160.4686 161.4090 161.8879 163.8274 163.9134 164.1090 165.0921 165.2900 165.3415 165.9149 166.9642 167.5666 168.4780 168.8700 169.2620 170.4416 171.5258 172.5957 173.1638 173.8022 174.8045 175.0008 175.6633 178.2880 178.4547 179.1962 181.0023 181.4590 181.5561 182.5623 185.0499 185.1683 185.6082 185.6306 186.5507 186.9208 189.1543 189.2395 190.5629 190.6450 191.0881 193.3240 194.1658 196.3069 196.3929 196.7596 197.0749 201.3437 202.0805 204.0450 207.0229 207.4492 209.6318 215.7218 619.4369 622.6071 628.1780 631.7937 632.2204 634.2683 634.6120 635.3980 636.5818 637.1615 637.7981 638.6453 640.9998 641.5484 642.7170 643.4098 647.0120 648.8922 658.2256 659.2718 882.3288 883.2706 900.4607 1196.4838 1199.8101 1210.3445 1217.4232 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 O O O O N N N C 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 -0.323333 -0.222842 -0.286487 -0.451599 0.157568 -0.341522 -0.188885 -0.079687 0.188206 0.059068 -0.280701 -0.166160 0.017773 0.054068 0.322622 0.101310 -0.213807 -0.190727 -0.039025 -0.143988 -0.156121 -0.285486 -0.200879 -0.113354 -0.154092 -0.184905 0.476493 0.106296 0.098409 0.112924 0.118228 0.126375 0.119117 0.132264 0.119303 0.118204 0.144361 0.142483 0.140850 0.149387 0.143976 0.153660 0.157407 0.158393 0.157677 0.247183 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 O O O O N N N C 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 8.3233 8.2228 8.2865 8.4516 6.8424 7.3415 7.1889 6.0797 5.8118 5.9409 6.2807 6.1662 5.9822 5.9459 5.6774 5.8987 6.2138 6.1907 6.0390 6.1440 6.1561 6.2855 6.2009 6.1134 6.1541 6.1849 5.5235 0.8937 0.9016 0.8871 0.8818 0.8736 0.8809 0.8677 0.8807 0.8818 0.8556 0.8575 0.8592 0.8506 0.8560 0.8463 0.8426 0.8416 0.8423 0.7528 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 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 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 -0.3233 -0.2228 -0.2865 -0.4516 0.1576 -0.3415 -0.1889 -0.0797 0.1882 0.0591 -0.2807 -0.1662 0.0178 0.0541 0.3226 0.1013 -0.2138 -0.1907 -0.0390 -0.1440 -0.1561 -0.2855 -0.2009 -0.1134 -0.1541 -0.1849 0.4765 0.1063 0.0984 0.1129 0.1182 0.1264 0.1191 0.1323 0.1193 0.1182 0.1444 0.1425 0.1408 0.1494 0.1440 0.1537 0.1574 0.1584 0.1577 0.2472 2.0651 1.9496 2.1908 2.0527 3.2988 2.9288 2.9495 3.6083 4.1072 3.9806 3.9525 3.8828 4.0357 3.5544 3.5644 3.8353 3.9282 4.0061 3.5688 4.0636 4.0069 3.9626 3.8794 3.8820 3.9111 3.9096 4.2347 0.9918 1.0156 0.9895 1.0099 0.9929 0.9867 1.0045 0.9866 1.0205 1.0149 1.0009 1.0239 1.0154 1.0106 0.9977 0.9895 0.9903 0.9902 1.0019 2.0651 1.9496 2.1908 2.0527 3.2988 2.9288 2.9495 3.6083 4.1072 3.9806 3.9525 3.8828 4.0357 3.5544 3.5644 3.8353 3.9282 4.0061 3.5688 4.0636 4.0069 3.9626 3.8794 3.8820 3.9111 3.9096 4.2347 0.9918 1.0156 0.9895 1.0099 0.9929 0.9867 1.0045 0.9866 1.0205 1.0149 1.0009 1.0239 1.0154 1.0106 0.9977 0.9895 0.9903 0.9902 1.0019 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0171 0.9104 0.8779 0.9494 -0.1133 1.2591 0.9349 1.9681 1.0150 1.3758 0.8888 0.1269 1.7185 1.9597 1.4242 1.2661 0.9808 0.9257 0.9849 0.9955 0.9845 0.9786 0.9762 0.9686 0.9830 0.9044 1.2920 1.3901 1.3154 1.3237 0.9781 1.0019 1.5055 0.9959 1.4937 0.9947 1.3798 1.3465 0.9841 0.9685 0.9738 1.4387 1.0023 1.4083 0.9835 1.4014 0.9819 1.4297 0.9793 0.9849 0 8 0 14 1 6 1 15 2 18 2 26 2 45 3 26 4 5 4 8 4 11 5 8 5 9 6 12 7 8 7 9 7 12 9 10 10 27 10 28 10 29 11 30 11 31 11 32 12 33 13 15 13 16 13 17 14 21 14 22 15 34 15 35 16 19 16 36 17 20 17 37 18 19 18 20 18 26 19 38 20 39 21 23 21 40 22 24 22 41 23 25 23 42 24 25 24 43 25 44 -0.025158022 -1238.817274168974 10.96979 -10.93443 0.03536 -3.29296 2.46730 -0.82566 -6.20023 4.78453 -1.41570 1.63926 4.16667