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 49 50 51 52 53 54 55 O O N 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 H H H H H H H H H H 1 1 2 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 4 4 4 4 4 4 4 4 4 4 262.19809999999984 AuxInfo=1/0/N:21,20,13,14,15,19,18,6,7,9,10,17,16,12,4,11,8,5,3,2,1/E:(3,4,5)(8,9)(10,11)/rA:56nOONCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s2;s4;s4;s4;s5s6;s5s7;s1;s2s11;s8;s8;s8;s3s11;s3;s3;s17;s18;s19;s4;s6;s6;s7;s7;s9;s9;s10;s10;s11;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;s20;s21;s21;s21;/rC:-.4877,1.1563,-.5943;-.0323,3.2447,.0618;-2.7635,-.4745,.2358;2.6715,-.0685,.4075;.5097,1.9468,.0155;2.3523,.5399,-.9631;1.4373,.0019,1.314;3.2883,-1.4918,.3201;1.7492,1.938,-.8586;.8574,1.4109,1.4019;-1.7583,1.7381,-.38;-1.432,3.1255,.2004;3.7806,-1.9309,1.7022;2.285,-2.5282,-.1938;4.4999,-1.4797,-.6166;-2.6312,.9289,.5664;-3.4174,-.7161,-1.046;-3.3795,-1.2085,1.3327;-2.4659,-.9896,-2.2091;-3.0918,-2.6986,1.3001;-1.5418,-2.1715,-1.9678;3.4422,.5703,.864;3.2585,.611,-1.5669;1.6681,-.1095,-1.5173;.6628,-.6784,.9503;1.6853,-.3328,2.3229;1.5024,2.3207,-1.8528;2.4837,2.623,-.4246;1.5878,2.0856,1.8598;-.022,1.4123,2.0525;-2.2494,1.8352,-1.3532;-1.7403,3.2067,1.2504;-1.9105,3.9359,-.3508;4.2733,-2.9043,1.643;4.5057,-1.2226,2.1117;2.9706,-2.0288,2.4264;1.8759,-2.2613,-1.1702;1.4464,-2.6683,.4905;2.769,-3.5015,-.3064;5.2129,-.6977,-.3421;5.0294,-2.4343,-.5681;4.2214,-1.324,-1.6598;-3.6079,1.4453,.6146;-2.2023,.9969,1.5701;-4.0748,-1.5842,-.948;-4.0817,.1205,-1.308;-2.9794,-.8109,2.2681;-4.4687,-1.0438,1.3773;-1.8712,-.1053,-2.4436;-3.0785,-1.1778,-3.096;-2.019,-2.8911,1.3497;-3.5587,-3.1858,2.158;-3.48,-3.1849,.4043;-2.1034,-3.0924,-1.7993;-.9086,-2.0072,-1.0964;-.8864,-2.3417,-2.8235; 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 1414 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 166 Dim 1141 ENuc 1976.4264027642 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 2.423e-05 Time for diagonalization 0.454 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.211 sec Total time needed 0.670 sec 8 8 7 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 1 1 1 1 1 1 1 1 1 1 262.19809999999984 AuxInfo=1/0/N:21,20,13,14,15,19,18,6,7,9,10,17,16,12,4,11,8,5,3,2,1/E:(3,4,5)(8,9)(10,11)/rA:56nOONCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s2;s4;s4;s4;s5s6;s5s7;s1;s2s11;s8;s8;s8;s3s11;s3;s3;s17;s18;s19;s4;s6;s6;s7;s7;s9;s9;s10;s10;s11;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;s20;s21;s21;s21;/rC:-.4877,1.1563,-.5943;-.0323,3.2447,.0618;-2.7635,-.4745,.2358;2.6715,-.0685,.4075;.5097,1.9468,.0155;2.3524,.5399,-.9631;1.4373,.0019,1.314;3.2883,-1.4918,.3201;1.7492,1.938,-.8586;.8574,1.4109,1.4019;-1.7583,1.7381,-.38;-1.432,3.1255,.2004;3.7806,-1.9309,1.7022;2.285,-2.5282,-.1938;4.4999,-1.4797,-.6166;-2.6312,.9289,.5664;-3.4174,-.7161,-1.046;-3.3795,-1.2085,1.3327;-2.4659,-.9896,-2.2091;-3.0918,-2.6986,1.3001;-1.5418,-2.1715,-1.9678;3.4422,.5703,.864;3.2585,.611,-1.5669;1.6681,-.1095,-1.5173;.6628,-.6784,.9503;1.6853,-.3328,2.3229;1.5024,2.3207,-1.8528;2.4837,2.623,-.4246;1.5878,2.0856,1.8598;-.022,1.4123,2.0525;-2.2494,1.8352,-1.3532;-1.7403,3.2067,1.2504;-1.9105,3.9359,-.3508;4.2733,-2.9043,1.643;4.5057,-1.2226,2.1117;2.9706,-2.0288,2.4264;1.8759,-2.2613,-1.1702;1.4464,-2.6683,.4905;2.769,-3.5015,-.3064;5.2129,-.6977,-.3421;5.0294,-2.4343,-.5681;4.2214,-1.324,-1.6598;-3.6079,1.4453,.6146;-2.2023,.9969,1.5701;-4.0748,-1.5842,-.948;-4.0817,.1205,-1.308;-2.9794,-.8109,2.2681;-4.4687,-1.0438,1.3773;-1.8712,-.1053,-2.4436;-3.0785,-1.1778,-3.096;-2.019,-2.8911,1.3497;-3.5587,-3.1858,2.158;-3.4801,-3.1849,.4043;-2.1034,-3.0924,-1.7993;-.9086,-2.0072,-1.0964;-.8864,-2.3417,-2.8235; 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" 262.19809999999984 AuxInfo=1/0/N:21,20,13,14,15,19,18,6,7,9,10,17,16,12,4,11,8,5,3,2,1/E:(3,4,5)(8,9)(10,11)/rA:56nOONCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s2;s4;s4;s4;s5s6;s5s7;s1;s2s11;s8;s8;s8;s3s11;s3;s3;s17;s18;s19;s4;s6;s6;s7;s7;s9;s9;s10;s10;s11;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;s20;s21;s21;s21;/rC:-.4877,1.1563,-.5943;-.0323,3.2447,.0618;-2.7635,-.4745,.2358;2.6715,-.0685,.4075;.5097,1.9468,.0155;2.3523,.5399,-.9631;1.4373,.0019,1.314;3.2883,-1.4918,.3201;1.7492,1.938,-.8586;.8574,1.4109,1.4019;-1.7583,1.7381,-.38;-1.432,3.1255,.2004;3.7806,-1.9309,1.7022;2.285,-2.5282,-.1938;4.4999,-1.4797,-.6166;-2.6312,.9289,.5664;-3.4174,-.7161,-1.046;-3.3795,-1.2085,1.3327;-2.4659,-.9896,-2.2091;-3.0918,-2.6986,1.3001;-1.5418,-2.1715,-1.9678;3.4422,.5703,.864;3.2585,.611,-1.5669;1.6681,-.1095,-1.5173;.6628,-.6784,.9503;1.6853,-.3328,2.3229;1.5024,2.3207,-1.8528;2.4837,2.623,-.4246;1.5878,2.0856,1.8598;-.022,1.4123,2.0525;-2.2494,1.8352,-1.3532;-1.7403,3.2067,1.2504;-1.9105,3.9359,-.3508;4.2733,-2.9043,1.643;4.5057,-1.2226,2.1117;2.9706,-2.0288,2.4264;1.8759,-2.2613,-1.1702;1.4464,-2.6683,.4905;2.769,-3.5015,-.3064;5.2129,-.6977,-.3421;5.0294,-2.4343,-.5681;4.2214,-1.324,-1.6598;-3.6079,1.4453,.6146;-2.2023,.9969,1.5701;-4.0748,-1.5842,-.948;-4.0817,.1205,-1.308;-2.9794,-.8109,2.2681;-4.4687,-1.0438,1.3773;-1.8712,-.1053,-2.4436;-3.0785,-1.1778,-3.096;-2.019,-2.8911,1.3497;-3.5587,-3.1858,2.158;-3.48,-3.1849,.4043;-2.1034,-3.0924,-1.7993;-.9086,-2.0072,-1.0964;-.8864,-2.3417,-2.8235; 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 3206 GEPOL Volume 2272.4448 GEPOL Surface-area 1314.3956 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -912.31093341 1976.42640276 -2888.73733617 -5166.88270014 2278.14536397 -0.01778319 -1820.10828360 907.79735019 2.00497202 83.000289395679 83.000289395679 166.000578791359 -92.071664917499 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 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -523.5697 -523.4115 -391.9704 -282.1789 -280.9066 -280.7768 -279.9653 -279.9247 -279.8339 -279.6513 -279.3150 -279.2112 -279.1710 -279.1209 -279.1061 -279.0988 -278.9843 -278.8789 -278.8705 -278.8703 -278.8609 -33.0375 -30.3333 -28.2169 -26.0957 -25.1721 -24.1992 -24.0333 -23.3242 -23.1622 -22.2477 -21.4847 -21.4568 -21.4415 -20.7745 -19.6376 -19.4808 -19.3173 -19.2260 -18.2118 -17.6881 -17.1006 -16.8716 -16.2804 -15.7279 -15.6999 -15.4339 -15.2042 -15.0381 -14.6788 -14.5456 -14.4178 -14.3787 -14.2390 -13.9719 -13.9353 -13.6544 -13.3656 -13.1990 -12.9330 -12.8619 -12.7394 -12.5769 -12.4240 -12.3169 -12.2815 -12.1749 -12.0786 -11.9803 -11.7243 -11.6444 -11.6335 -11.5901 -11.3962 -11.2129 -11.1444 -10.9236 -10.5730 -10.4144 -10.3016 -9.8303 -9.2985 -8.1702 2.9752 3.3592 3.4527 3.5025 3.9389 3.9791 4.1585 4.3202 4.4128 4.4355 4.5374 4.7158 4.7820 4.9263 4.9941 5.1312 5.2550 5.3332 5.4735 5.5074 5.5958 5.7606 5.8388 5.9066 5.9992 6.2254 6.2314 6.2789 6.4078 6.5155 6.5981 6.7412 6.8181 6.8993 6.9704 7.0418 7.1632 7.2429 7.3476 7.4679 7.6189 7.6438 7.7806 7.9056 7.9871 8.0461 8.1726 8.2062 8.3628 8.4997 8.5836 8.7378 8.8271 8.8934 9.1085 9.1541 9.4324 9.4567 9.5849 9.6626 9.9054 10.0796 10.1321 10.3066 10.3409 10.4643 10.6146 10.7457 10.9046 10.9292 11.1768 11.3161 11.3601 11.7659 11.9524 11.9801 12.0896 12.2869 12.3215 12.3955 12.4875 12.5528 12.6277 12.8386 12.9422 13.1111 13.1547 13.2445 13.2740 13.5145 13.5307 13.6632 13.7413 13.8222 13.8835 13.9804 14.0918 14.1114 14.2497 14.2746 14.3363 14.4144 14.5016 14.5944 14.6486 14.6719 14.7689 14.8530 14.8950 14.9975 15.0691 15.1220 15.1598 15.2126 15.3791 15.4542 15.5259 15.6158 15.7331 15.7827 15.8686 15.9740 16.1163 16.1809 16.2665 16.3451 16.4271 16.5127 16.6041 16.7458 16.8891 16.9686 17.1391 17.2015 17.2816 17.4801 17.6109 17.7174 17.9833 18.1277 18.3639 18.4594 18.6192 18.6757 18.8218 19.0020 19.2259 19.4254 19.6175 19.8533 19.9132 20.0630 20.2659 20.5339 20.6603 20.7198 20.7844 21.0115 21.0762 21.2750 21.6820 21.7149 21.9545 22.1502 22.2756 22.5156 22.7325 22.9744 23.0233 23.2717 23.3391 23.6187 23.8223 23.8834 24.0518 24.1536 24.2422 24.3134 24.4547 24.4898 24.6588 25.0251 25.1297 25.2596 25.4566 25.6337 25.7641 25.9692 26.1164 26.2271 26.3956 26.6289 26.6932 26.8244 27.0041 27.1843 27.3464 27.4937 27.6816 27.7496 27.8013 27.9051 28.0806 28.1635 28.4223 28.6304 28.8072 28.8338 28.9910 29.0637 29.1649 29.3848 29.5431 29.5961 29.6720 29.9497 30.0107 30.0824 30.1918 30.3961 30.4154 30.5698 30.7131 30.9724 31.1189 31.1597 31.2718 31.2897 31.4726 31.5390 31.6507 31.7880 31.8336 31.9954 32.2469 32.5079 32.5409 32.6908 32.8426 32.9369 33.0431 33.3306 33.3611 33.4777 33.7581 33.7776 33.9255 34.1018 34.2003 34.2471 34.3510 34.5149 34.5879 34.7241 34.9849 35.0865 35.1834 35.3732 35.4575 35.5067 35.5712 35.5841 35.8448 36.0855 36.1964 36.2889 36.4250 36.6428 36.7010 36.8630 36.9770 37.1033 37.2268 37.4221 37.5070 37.6672 37.8451 37.9255 38.0825 38.2462 38.3290 38.5378 38.6077 38.8433 39.0032 39.2004 39.2519 39.4792 39.5568 39.6702 39.7618 39.8983 40.0199 40.3059 40.3829 40.5843 40.8358 40.9052 41.0848 41.1554 41.2104 41.3674 41.3832 41.5676 41.6913 41.8127 41.9777 42.0904 42.2182 42.3040 42.4387 42.6066 42.6543 42.7063 42.8095 42.9050 43.0244 43.1920 43.3088 43.3360 43.4048 43.5264 43.6739 43.7865 43.8401 44.0517 44.1544 44.2682 44.4407 44.6151 44.6275 44.8386 44.9388 45.0088 45.1737 45.4244 45.4949 45.6613 45.7642 45.8852 45.9415 46.2219 46.2421 46.3139 46.5178 46.7189 46.9185 47.0213 47.0981 47.2672 47.4766 47.7119 47.8045 48.0050 48.1281 48.2834 48.4116 48.5987 48.8413 49.0176 49.0878 49.2996 49.3859 49.4617 49.7391 49.8467 50.0945 50.4894 50.5458 50.7940 51.0228 51.2149 51.3565 51.4676 51.7253 51.9846 52.0507 52.2785 52.4509 52.8854 53.2996 53.4644 53.8383 54.0329 54.5949 54.7370 54.7679 55.1008 55.5822 55.7413 56.0228 56.1220 56.3454 56.9314 57.1814 57.4223 57.6590 57.8780 58.1584 58.3111 58.7826 59.0210 59.1829 59.2985 59.7374 59.9261 59.9773 60.2395 60.5413 60.7847 61.0130 61.3296 61.3420 61.6510 61.7634 62.1175 62.3393 62.4933 62.5981 62.6734 62.9589 63.7118 63.8642 63.9121 64.2216 64.5607 64.7012 65.1675 65.2700 65.7045 65.8458 66.1357 66.3363 66.8618 67.3315 67.8693 68.1287 68.4747 68.5677 68.8759 69.5437 69.7437 69.8474 70.0640 70.4762 70.5703 70.8398 71.1144 71.2313 71.5557 71.6712 71.7187 72.0009 72.2485 72.4997 72.7198 72.7551 73.0392 73.3116 73.4590 73.6282 73.7289 73.9772 74.1348 74.4217 74.7270 74.8117 74.8442 75.1427 75.3463 75.4331 75.5097 75.9040 76.0714 76.1169 76.3352 76.5073 76.7574 77.0366 77.1554 77.4032 77.4967 77.6388 77.7706 77.8218 78.0574 78.2139 78.2753 78.6026 78.6794 78.7262 79.1276 79.2952 79.4088 79.5841 79.6191 79.7369 79.8950 80.0285 80.1655 80.3713 80.5374 80.8164 80.9356 81.2207 81.2521 81.4603 81.4763 81.6702 81.7912 81.8769 81.9330 82.0821 82.2475 82.3041 82.3938 82.5931 82.7966 82.9610 83.1157 83.1916 83.3840 83.4545 83.6923 83.9322 84.0751 84.2294 84.5242 84.6610 84.7109 84.9486 85.0183 85.2507 85.3238 85.5044 85.7254 85.8992 85.9727 86.0595 86.1274 86.2617 86.3875 86.4796 86.6135 86.9042 86.9294 87.2090 87.2464 87.4178 87.5102 87.6990 87.7532 87.9424 87.9925 88.1000 88.2578 88.3800 88.4931 88.5664 88.7473 88.8073 88.9077 89.1792 89.2471 89.4057 89.5974 89.7105 89.7308 89.9349 89.9901 90.0740 90.2339 90.3126 90.4971 90.6579 90.8760 90.9130 91.0222 91.0807 91.2951 91.3009 91.5017 91.5487 91.9394 92.0046 92.1139 92.3081 92.4325 92.6575 92.7672 92.9321 93.0705 93.2003 93.3972 93.6467 93.7720 93.8070 94.0325 94.1216 94.2768 94.4809 94.5586 94.7020 94.9049 94.9724 95.0658 95.2249 95.2603 95.3919 95.5589 95.6626 95.7673 95.8580 96.2530 96.2885 96.3569 96.4302 96.5958 96.8635 97.0819 97.1962 97.3301 97.5373 97.7775 97.7808 97.8581 97.9665 97.9806 98.2625 98.3994 98.4880 98.6280 98.7838 99.0069 99.0460 99.3527 99.4285 99.5071 99.6551 99.9466 100.0439 100.1069 100.2737 100.5672 100.6315 100.7749 100.9007 101.0679 101.1692 101.4526 101.4776 101.6066 101.7782 101.8728 102.0475 102.2892 102.3266 102.4645 102.6592 102.7731 102.8655 103.1676 103.2437 103.3791 103.5098 103.6810 103.7486 103.7723 103.8592 104.0126 104.1490 104.2746 104.5440 104.7485 104.7913 104.8928 105.1611 105.2268 105.4037 105.5030 105.5767 105.8449 105.9892 106.2617 106.3564 106.6020 106.7353 106.9021 106.9938 107.1652 107.2847 107.4115 107.5532 107.9749 108.0676 108.2042 108.3300 108.3521 108.4986 108.5969 108.7647 108.9125 109.2109 109.3249 109.5642 109.7323 109.8038 109.9418 110.1178 110.2181 110.3368 110.5784 110.7640 110.9644 111.0417 111.2003 111.3893 111.4666 111.6193 111.8409 111.9562 111.9707 112.1064 112.2022 112.6121 112.7519 112.8114 112.8871 113.0179 113.1434 113.3680 113.4442 113.5312 113.6948 113.8973 114.0117 114.1535 114.2384 114.5862 114.6222 114.7480 114.8149 114.9558 115.1074 115.1409 115.2606 115.3865 115.4468 115.6722 115.7849 115.9241 116.0410 116.1539 116.2135 116.4329 116.5014 116.5773 116.6722 116.8053 116.9796 117.0214 117.0629 117.1736 117.3369 117.4058 117.5525 117.6403 117.8045 117.9982 118.1216 118.2347 118.3858 118.6522 118.7956 118.9090 118.9672 119.0475 119.0778 119.3680 119.3975 119.6564 119.7650 119.8976 120.0271 120.1893 120.2591 120.4807 120.5887 120.6678 120.8051 120.9772 121.1262 121.2781 121.4697 121.7060 121.8042 121.9151 122.0303 122.3487 122.3698 122.5754 122.6658 122.8066 122.9199 123.2293 123.4046 123.5082 123.8818 124.1234 124.3021 124.4680 124.6648 124.7473 124.8650 125.1285 125.2508 125.5973 125.7752 126.1790 126.3981 126.5972 126.7079 126.9768 127.0414 127.2038 127.4273 127.4581 127.6589 127.8631 128.0676 128.5441 128.7263 128.9034 128.9608 129.1365 129.2484 129.5658 129.6380 129.8508 129.9443 130.1374 130.2573 130.3921 130.5157 130.5462 130.7898 130.8594 131.0016 131.3485 131.4835 131.6767 131.9245 131.9766 132.1268 132.2937 132.4531 132.6500 132.8225 132.8967 133.2820 133.4033 133.6036 133.7029 133.7744 133.9150 134.1446 134.3427 134.4445 134.5513 134.7560 134.8187 134.9451 135.2404 135.4742 135.6509 135.8410 135.9963 136.0484 136.1870 136.2928 136.5275 136.6117 136.9318 137.0549 137.2040 137.4393 137.8151 138.0098 138.2206 138.3234 138.3416 138.6706 138.9463 139.1629 139.2324 139.5696 139.8004 140.0529 140.4061 140.6688 140.8306 140.9528 141.1261 141.6314 141.6540 141.9218 142.4669 142.6269 142.8828 143.0167 143.1037 143.2338 143.7005 143.7946 144.0263 144.4826 144.7484 144.7864 144.9926 145.3539 145.4322 145.7953 146.1460 146.2707 146.3881 146.4576 146.6854 146.9409 147.2031 147.3313 147.4457 147.8408 147.9488 148.0696 148.3516 148.5337 148.8207 149.1039 149.2745 149.3150 149.4734 149.7728 149.8158 150.1050 150.1383 150.2885 150.5824 151.0392 151.1613 151.3110 151.6091 151.6575 151.8030 151.9867 152.0447 152.2815 152.3309 152.5037 152.7390 152.9560 153.1132 153.3036 153.5405 153.7140 153.7767 153.8734 154.1289 154.1766 154.3332 154.4139 154.6622 154.9215 155.0000 155.1263 155.2724 155.4049 155.6428 155.7568 155.8327 156.0628 156.4594 156.5693 156.9017 157.2477 157.3426 157.7265 157.8925 158.1082 158.2733 158.3889 158.8094 158.8882 159.0732 159.2486 159.3420 159.4807 159.7741 160.0569 160.1688 160.4450 160.4693 160.6164 160.6638 161.1507 161.4531 161.6020 161.7651 162.1566 162.1979 162.4372 163.0880 163.4442 163.7083 164.3508 164.7368 166.3677 167.1903 167.9428 168.4075 168.9256 169.8719 171.1171 171.7661 172.7869 174.8169 177.8285 179.1259 188.1738 188.9336 191.0616 193.7467 196.0980 199.1394 201.8220 205.0075 207.6682 209.1207 626.3347 627.8464 635.0497 637.8478 639.2132 639.9525 641.7183 643.3890 643.6887 643.9881 644.0666 644.8389 645.6873 647.1110 647.4258 647.9455 649.0961 652.7004 902.0220 1213.8902 1220.7104 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 49 50 51 52 53 54 55 O O N 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 H H H H H H H H H H -0.394410 -0.387144 -0.207020 0.103711 0.542932 -0.215948 -0.241660 0.261860 -0.264108 -0.263369 0.212203 -0.002937 -0.357804 -0.390745 -0.355769 -0.213003 -0.117926 -0.052942 -0.089666 -0.267952 -0.259565 0.058229 0.086236 0.076802 0.053816 0.088355 0.076533 0.083986 0.088093 0.092751 0.090735 0.079108 0.095881 0.094593 0.096288 0.094773 0.094659 0.095535 0.102699 0.097764 0.094486 0.093766 0.094591 0.087992 0.097658 0.085847 0.077986 0.071181 0.060592 0.072019 0.076207 0.096317 0.080829 0.085789 0.037571 0.101596 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 O O N 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 H H H H H H H H H H 8.3944 8.3871 7.2070 5.8963 5.4571 6.2159 6.2417 5.7381 6.2641 6.2634 5.7878 6.0029 6.3578 6.3907 6.3558 6.2130 6.1179 6.0529 6.0897 6.2680 6.2596 0.9418 0.9138 0.9232 0.9462 0.9116 0.9235 0.9160 0.9119 0.9072 0.9093 0.9209 0.9041 0.9054 0.9037 0.9052 0.9053 0.9045 0.8973 0.9022 0.9055 0.9062 0.9054 0.9120 0.9023 0.9142 0.9220 0.9288 0.9394 0.9280 0.9238 0.9037 0.9192 0.9142 0.9624 0.8984 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 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.3944 -0.3871 -0.2070 0.1037 0.5429 -0.2159 -0.2417 0.2619 -0.2641 -0.2634 0.2122 -0.0029 -0.3578 -0.3907 -0.3558 -0.2130 -0.1179 -0.0529 -0.0897 -0.2680 -0.2596 0.0582 0.0862 0.0768 0.0538 0.0884 0.0765 0.0840 0.0881 0.0928 0.0907 0.0791 0.0959 0.0946 0.0963 0.0948 0.0947 0.0955 0.1027 0.0978 0.0945 0.0938 0.0946 0.0880 0.0977 0.0858 0.0780 0.0712 0.0606 0.0720 0.0762 0.0963 0.0808 0.0858 0.0376 0.1016 1.9805 2.0117 2.7853 3.6752 3.8404 3.9297 3.9724 3.6708 4.0392 3.9844 3.7796 4.0057 3.9224 3.9556 3.9241 3.9872 3.8933 3.8779 3.8350 3.9252 3.9230 1.0160 1.0124 1.0121 1.0276 1.0141 1.0313 1.0164 1.0218 1.0148 0.9877 0.9978 0.9930 1.0063 1.0035 1.0008 0.9997 0.9941 1.0080 1.0027 1.0078 0.9972 1.0106 0.9984 0.9957 1.0119 0.9960 1.0046 1.0123 1.0147 1.0046 1.0112 1.0019 1.0040 1.0175 1.0057 1.9805 2.0117 2.7853 3.6752 3.8404 3.9297 3.9724 3.6708 4.0392 3.9844 3.7796 4.0057 3.9224 3.9556 3.9241 3.9872 3.8933 3.8779 3.8350 3.9252 3.9230 1.0160 1.0124 1.0121 1.0276 1.0141 1.0313 1.0164 1.0218 1.0148 0.9877 0.9978 0.9930 1.0063 1.0035 1.0008 0.9997 0.9941 1.0080 1.0027 1.0078 0.9972 1.0106 0.9984 0.9957 1.0119 0.9960 1.0046 1.0123 1.0147 1.0046 1.0112 1.0019 1.0040 1.0175 1.0057 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.9248 0.9439 1.0201 0.9788 0.9647 0.8838 0.9411 0.8954 0.9142 0.9348 0.9963 0.9065 0.9227 0.9564 1.0083 1.0124 0.9305 1.0174 1.0054 0.9170 0.9110 0.9138 1.0090 1.0259 1.0164 1.0068 0.9175 0.9137 0.9896 1.0205 0.9721 1.0003 0.9920 0.9934 0.9956 0.9959 1.0007 0.9944 1.0018 0.9937 0.9991 0.9937 0.9362 1.0027 0.9887 0.9393 0.9930 0.9921 0.9235 1.0066 1.0052 0.9952 0.9966 0.9951 1.0008 0.9900 0.9951 0 4 0 10 1 4 1 11 2 15 2 16 2 17 3 5 3 6 3 7 3 21 4 8 4 9 5 8 5 22 5 23 6 9 6 24 6 25 7 12 7 13 7 14 8 26 8 27 9 28 9 29 10 11 10 15 10 30 11 31 11 32 12 33 12 34 12 35 13 36 13 37 13 38 14 39 14 40 14 41 15 42 15 43 16 18 16 44 16 45 17 19 17 46 17 47 18 20 18 48 18 49 19 50 19 51 19 52 20 53 20 54 20 55 -0.031948601 -912.342882009866 3.01723 -3.89538 -0.87816 -19.02170 19.04413 0.02243 1.03584 -0.53904 0.49680 1.00919 2.56517