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:2.8029,-2.2028,.2787;.8001,2.1441,.6167;-6.4173,.9874,.1943;-5.4619,-.6097,-1.0315;4.3082,-.6886,-.6605;4.613,.6141,-.637;.7501,1.2179,1.6219;2.7855,.247,.626;3.2426,-.9481,.1021;3.7029,1.1995,.116;3.7758,2.6616,.3788;5.1386,-1.6225,-1.38;1.6791,.3532,1.5612;-1.6266,2.3039,.4279;1.5153,-2.5107,-.1087;-.3197,2.998,.6989;-1.7029,1.1793,-.3894;-2.7972,2.8131,.9804;-4.093,1.0863,-.0825;-2.9217,.5739,-.6364;-4.0216,2.2195,.7255;.8904,-3.5363,.5834;.8818,-1.8622,-1.1584;-.3949,-3.9105,.221;-.4069,-2.2453,-1.5038;-1.0518,-3.2645,-.8178;-5.3709,.3936,-.3635;4.7758,3.0336,.1579;3.0705,3.2211,-.2367;3.5525,2.8911,1.4206;5.4777,-1.1534,-2.2997;6.0048,-1.9137,-.7864;4.5678,-2.5116,-1.6335;1.6003,-.4056,2.3335;-.1439,3.7668,-.0576;-.3536,3.5015,1.6704;-.8096,.7621,-.836;-2.7537,3.6818,1.6267;-2.9589,-.3058,-1.2657;-4.9101,2.6402,1.176;1.4034,-4.0329,1.3976;1.3752,-1.0706,-1.7084;-.8859,-4.7089,.7621;-.9036,-1.7414,-2.3227;-2.0573,-3.5543,-1.0923;-7.2273,.4973,-.0142; 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 2394.8978650564 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 6.022e-06 Time for diagonalization 0.550 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.531 sec Total time needed 1.093 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:2.8029,-2.2028,.2787;.8001,2.1441,.6167;-6.4173,.9874,.1943;-5.4619,-.6097,-1.0315;4.3082,-.6886,-.6605;4.613,.6141,-.637;.7501,1.2179,1.6219;2.7855,.247,.626;3.2426,-.9481,.1021;3.7029,1.1995,.116;3.7758,2.6616,.3788;5.1386,-1.6225,-1.38;1.6791,.3532,1.5612;-1.6266,2.3039,.4279;1.5153,-2.5107,-.1087;-.3197,2.998,.6989;-1.7029,1.1793,-.3894;-2.7972,2.8131,.9804;-4.093,1.0863,-.0825;-2.9217,.5739,-.6364;-4.0216,2.2195,.7255;.8904,-3.5363,.5834;.8818,-1.8622,-1.1584;-.3949,-3.9105,.221;-.4069,-2.2453,-1.5038;-1.0518,-3.2645,-.8178;-5.3709,.3936,-.3635;4.7758,3.0336,.1579;3.0705,3.2211,-.2367;3.5525,2.8911,1.4207;5.4777,-1.1534,-2.2997;6.0048,-1.9137,-.7864;4.5678,-2.5116,-1.6335;1.6003,-.4056,2.3335;-.1439,3.7668,-.0576;-.3536,3.5015,1.6704;-.8096,.7621,-.836;-2.7537,3.6818,1.6267;-2.9589,-.3058,-1.2657;-4.9101,2.6402,1.176;1.4034,-4.0329,1.3976;1.3752,-1.0706,-1.7084;-.8859,-4.7089,.7622;-.9036,-1.7414,-2.3227;-2.0573,-3.5543,-1.0923;-7.2273,.4973,-.0142; 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:2.8029,-2.2028,.2787;.8001,2.1441,.6167;-6.4173,.9874,.1943;-5.4619,-.6097,-1.0315;4.3082,-.6886,-.6605;4.613,.6141,-.637;.7501,1.2179,1.6219;2.7855,.247,.626;3.2426,-.9481,.1021;3.7029,1.1995,.116;3.7758,2.6616,.3788;5.1386,-1.6225,-1.38;1.6791,.3532,1.5612;-1.6266,2.3039,.4279;1.5153,-2.5107,-.1087;-.3197,2.998,.6989;-1.7029,1.1793,-.3894;-2.7972,2.8131,.9804;-4.093,1.0863,-.0825;-2.9217,.5739,-.6364;-4.0216,2.2195,.7255;.8904,-3.5363,.5834;.8818,-1.8622,-1.1584;-.3949,-3.9105,.221;-.4069,-2.2453,-1.5038;-1.0518,-3.2645,-.8178;-5.3709,.3936,-.3635;4.7758,3.0336,.1579;3.0705,3.2211,-.2367;3.5525,2.8911,1.4206;5.4777,-1.1534,-2.2997;6.0048,-1.9137,-.7864;4.5678,-2.5116,-1.6335;1.6003,-.4056,2.3335;-.1439,3.7668,-.0576;-.3536,3.5015,1.6704;-.8096,.7621,-.836;-2.7537,3.6818,1.6267;-2.9589,-.3058,-1.2657;-4.9101,2.6402,1.176;1.4034,-4.0329,1.3976;1.3752,-1.0706,-1.7084;-.8859,-4.7089,.7621;-.9036,-1.7414,-2.3227;-2.0573,-3.5543,-1.0923;-7.2273,.4973,-.0142; 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 2716 GEPOL Volume 2458.0982 GEPOL Surface-area 1406.9431 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1238.79130926 2394.89786506 -3633.68917432 -6446.78507604 2813.09590173 -0.03746120 -2472.41112195 1233.61981269 2.00419213 96.000042289386 96.000042289386 192.000084578772 -118.152176379414 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 -525.0717 -524.6910 -524.6814 -523.1124 -394.6863 -393.8920 -392.8348 -283.5235 -282.3826 -281.7178 -281.0694 -280.8207 -280.5855 -280.4894 -280.2560 -280.2003 -280.0446 -279.9957 -279.8849 -279.8716 -279.8565 -279.8266 -279.8070 -279.8025 -279.7962 -279.6754 -279.3166 -33.6594 -33.6501 -33.4079 -32.0520 -31.0457 -27.4486 -26.9303 -26.8739 -26.4279 -25.0054 -24.5638 -23.7771 -23.7344 -23.5440 -23.2945 -22.3962 -21.7948 -20.7737 -20.5222 -20.0652 -19.8256 -19.6470 -19.0072 -18.4874 -18.3446 -17.7470 -17.5345 -17.0114 -16.7703 -16.4846 -16.2914 -16.2391 -16.0349 -15.7310 -15.6825 -15.5231 -15.1765 -15.0060 -14.7915 -14.4753 -14.3847 -14.2809 -14.2416 -14.1754 -14.0903 -13.9278 -13.7201 -13.4947 -13.3452 -13.2192 -12.9222 -12.8553 -12.7105 -12.5227 -12.4977 -12.2543 -11.9758 -11.9089 -11.7166 -10.8812 -10.5876 -10.3207 -10.2391 -9.5925 -9.4960 -9.3140 -9.2535 -8.8769 -8.5603 0.4846 1.3461 1.4950 1.6485 1.7828 2.7298 3.2409 3.5315 3.6065 3.7659 3.9071 4.1262 4.2331 4.3161 4.5004 4.5407 4.7717 5.0506 5.0947 5.2033 5.2538 5.3250 5.5031 5.5562 5.7162 5.7567 5.8381 5.9270 6.0103 6.1533 6.3887 6.4239 6.5036 6.6385 6.7597 6.9853 7.0139 7.1902 7.3741 7.4037 7.5364 7.6187 7.8048 7.8780 8.0307 8.1591 8.2127 8.3128 8.3786 8.5038 8.6371 8.7254 8.7821 8.8532 9.0096 9.0313 9.2197 9.3564 9.4087 9.4322 9.4796 9.6073 9.8635 9.9354 9.9909 10.1761 10.2312 10.4787 10.5595 10.6651 10.8203 10.9425 11.0933 11.1267 11.3354 11.4941 11.5585 11.6672 11.7678 11.8311 11.9926 12.0405 12.1072 12.2686 12.3430 12.5350 12.6453 12.7154 12.7588 12.8970 13.0279 13.0910 13.1528 13.1997 13.2442 13.4497 13.6029 13.6691 13.7463 13.8061 13.9240 14.0261 14.1195 14.1881 14.3731 14.4097 14.4853 14.6261 14.6923 14.7635 14.8557 14.8758 14.9815 15.0726 15.1076 15.2121 15.3045 15.4368 15.5646 15.6726 15.7101 15.8863 15.9933 16.0643 16.1437 16.1800 16.4083 16.4825 16.6043 16.7800 16.8023 16.9572 17.0230 17.2381 17.4210 17.4845 17.6416 17.7125 18.0500 18.1657 18.2020 18.3720 18.3988 18.6496 18.7922 18.9384 19.0325 19.0998 19.2507 19.3880 19.7188 19.8049 19.9939 20.0109 20.1960 20.2728 20.3618 20.5998 20.8181 20.8848 20.9840 21.0678 21.0953 21.2353 21.4577 21.5493 21.6507 21.7724 21.9418 22.1322 22.1554 22.1855 22.4608 22.4883 22.6289 22.8041 22.9056 22.9873 23.0151 23.1815 23.2384 23.4485 23.5148 23.7515 23.9481 24.1297 24.2374 24.3173 24.5709 24.7492 24.9247 25.0272 25.1569 25.3281 25.5087 25.6784 25.7340 25.9293 26.0163 26.1614 26.2402 26.3129 26.4522 26.6480 26.7703 26.8635 27.0594 27.3014 27.4527 27.5197 27.7772 27.9476 28.0352 28.3375 28.3907 28.4525 28.6832 28.8840 29.0333 29.1322 29.2564 29.3237 29.4988 29.5967 29.7400 29.7583 29.9271 30.0391 30.2299 30.5037 30.5189 30.7062 30.7597 30.9006 31.0305 31.2048 31.3083 31.6679 31.7956 31.8189 31.9594 32.0908 32.1770 32.2639 32.4826 32.5941 32.6843 32.7630 32.9893 33.1109 33.1563 33.2734 33.4612 33.5807 33.7838 33.9704 34.1714 34.3594 34.6964 34.8359 34.9923 35.1471 35.3771 35.4060 35.6612 35.8003 35.8998 36.1455 36.2284 36.2718 36.4102 36.5877 36.8075 36.9384 37.0970 37.2041 37.4707 37.6021 37.8447 37.8635 37.9451 38.2317 38.3755 38.4321 38.6326 38.7463 38.9823 39.0565 39.2446 39.3532 39.4945 39.6460 39.7431 39.8866 40.0099 40.1728 40.2390 40.2652 40.4738 40.8927 41.0065 41.0494 41.2199 41.3341 41.3832 41.5566 41.7852 41.8272 41.9259 42.1296 42.4273 42.5247 42.6158 42.7202 42.9324 42.9881 43.1195 43.1997 43.3392 43.5486 43.7552 43.8259 43.8973 44.1301 44.2574 44.3999 44.4584 44.5583 44.8927 44.9890 45.1645 45.3229 45.3833 45.4493 45.6718 45.7976 46.2200 46.2858 46.3282 46.5025 46.5605 46.9748 47.1301 47.2568 47.3526 47.3801 47.6184 47.8408 47.9008 48.0996 48.4520 48.4905 48.5343 48.8011 48.9552 49.1870 49.2077 49.6423 49.7228 49.9224 50.1037 50.2103 50.3385 50.7680 50.8145 51.2770 51.3387 51.6761 51.8544 52.0949 52.1725 52.2971 52.5825 52.7553 52.9479 53.0725 53.2844 53.4482 53.6455 53.7633 54.1006 54.3152 54.7666 54.9750 55.1701 55.3230 55.5202 55.7860 55.9376 56.3329 56.6063 56.7713 56.8723 57.0322 57.2832 57.5097 57.7160 57.8038 57.9048 58.1007 58.1881 58.6121 58.7653 58.8763 59.0901 59.1928 59.3975 59.6761 59.8590 59.9114 60.5265 60.5573 60.7358 61.0909 61.3301 61.7880 62.0425 62.8311 62.9657 63.0560 63.7284 63.8737 64.1092 64.2775 64.4765 64.6550 64.7363 64.8748 65.4982 65.6623 65.8263 66.1370 66.2938 66.3630 66.6153 66.9666 67.1674 67.2058 67.3622 67.4352 67.4928 67.7812 68.2174 68.2916 68.5782 68.8441 69.2310 69.6713 69.8731 70.2003 70.3139 70.8349 71.0158 71.0796 71.4327 71.7993 72.1725 72.4913 72.7799 72.9520 73.0434 73.1748 73.2629 73.6888 73.9619 74.1217 74.6520 74.8060 74.8924 75.2272 75.3404 75.4110 75.7343 75.9120 76.1246 76.2345 76.6268 76.7786 76.8940 76.9250 77.1463 77.2703 77.5253 77.7095 77.7421 77.8719 77.9826 78.0877 78.3048 78.4485 78.6420 78.7200 78.8879 78.9190 79.1455 79.2570 79.4159 79.5392 79.6273 79.6443 79.7726 80.0506 80.1796 80.2035 80.5203 80.7319 80.8599 80.9751 81.0725 81.2970 81.4199 81.5146 81.7094 81.8352 81.8747 81.9632 82.1517 82.4367 82.5238 82.5571 82.7136 82.7933 82.9808 83.2036 83.4269 83.5191 83.7596 83.8785 84.1327 84.3564 84.4948 84.6190 84.8146 84.8786 84.9699 85.0425 85.3159 85.4521 85.5428 85.7282 85.7829 85.7898 85.9327 86.0100 86.0713 86.2051 86.3410 86.3748 86.4672 86.5679 86.7357 86.7644 87.0767 87.2446 87.3171 87.4863 87.7087 87.9116 88.0098 88.2534 88.3019 88.4445 88.6772 88.8061 88.8850 88.9715 89.0572 89.2433 89.3890 89.5862 89.6329 89.7947 89.8737 90.1628 90.2668 90.3830 90.5780 90.6819 90.9348 91.0087 91.1093 91.3482 91.4541 91.7252 91.8370 92.0163 92.1048 92.2340 92.4215 92.5601 92.6707 92.7776 92.9124 92.9906 93.1755 93.2518 93.3334 93.5463 93.6251 93.7786 93.9221 94.0141 94.1837 94.2192 94.3131 94.5801 94.6451 94.7728 94.9327 95.0610 95.2021 95.3487 95.5516 95.7271 95.8033 95.8445 95.9968 96.1269 96.1872 96.3166 96.3828 96.6713 96.8655 96.9478 97.0043 97.2807 97.3933 97.4871 97.6652 97.7841 97.8728 98.0570 98.2208 98.5109 98.5873 98.7123 98.7970 98.8619 99.0070 99.2555 99.3076 99.4730 99.6676 99.8379 99.8614 100.0546 100.1637 100.4533 100.7416 100.8773 100.9335 101.1612 101.2233 101.4867 101.5775 101.9162 102.0558 102.1708 102.6493 102.7344 102.8400 102.9310 103.2424 103.3349 103.4331 103.6279 103.8125 104.0164 104.1224 104.1951 104.5995 104.6863 104.8954 105.1763 105.3578 105.4978 105.5348 105.6617 105.7777 105.8781 105.9815 106.0537 106.1871 106.4530 106.6285 106.8576 107.0289 107.1975 107.3531 107.4969 107.5566 107.6745 107.9892 108.1888 108.3017 108.4003 108.5521 108.7419 108.8130 109.0959 109.1565 109.5724 109.8175 109.8816 110.0450 110.3161 110.5118 110.6135 110.7803 110.8950 110.9795 111.1062 111.2838 111.4507 111.5859 111.6530 111.9511 112.0899 112.1600 112.3706 112.6846 112.7506 112.9083 113.0506 113.5775 113.6814 113.7483 113.8214 114.1154 114.2230 114.3382 114.5594 114.8693 114.9734 115.0646 115.3773 115.5426 115.6060 115.6594 116.2006 116.3142 116.4938 116.7360 116.8968 117.1572 117.2207 117.4445 117.5580 117.6633 117.7611 117.9265 118.1875 118.2773 118.4453 118.5296 118.5753 118.6823 118.7232 118.8972 119.0390 119.1822 119.2659 119.5025 119.6769 120.0046 120.2471 120.4782 120.5597 120.5945 120.8365 121.0049 121.2141 121.4107 121.6007 121.6888 122.0007 122.2009 122.3220 122.4094 122.4953 122.9197 123.4236 123.5782 123.8407 124.0579 124.3916 124.6270 125.1792 125.5424 126.3781 126.6648 126.8050 126.9289 127.2840 127.4573 127.7697 128.1385 128.3828 128.6667 128.7429 129.1104 129.3489 129.5040 129.7606 129.9258 130.0906 130.2945 130.4203 130.6321 130.9659 131.0925 131.6800 131.7539 131.8553 132.0764 132.2135 132.4269 132.7196 132.7571 132.9766 133.1018 133.1517 133.5949 133.7280 133.9019 134.1953 134.2454 134.4689 134.6320 135.0503 135.2681 135.4979 135.6177 136.0768 136.3229 136.6093 136.8441 137.2287 137.5415 137.6738 137.7367 137.9207 138.1458 138.4898 138.6316 138.6652 138.7834 139.0716 139.3706 139.6106 139.9078 140.1062 140.2654 140.4120 140.9687 141.1197 141.5092 141.6467 141.8092 142.4127 142.5751 142.8825 143.1424 143.7134 144.3407 144.4424 144.5233 144.8249 145.1059 145.4278 145.5665 145.6989 146.1113 146.2372 146.5043 146.7153 146.9567 147.3585 147.5945 147.8182 147.8245 148.3030 148.3839 148.5388 148.6778 148.9710 149.0561 149.2474 149.3104 149.6017 149.7923 149.8770 150.0946 150.3735 150.4784 150.7154 150.9884 151.2702 151.5409 151.9244 152.4192 152.6745 152.9148 153.0147 153.5538 153.7179 153.9901 154.8640 154.9141 155.6123 155.8272 156.1223 156.2115 156.4838 156.5537 156.7536 156.8382 157.3274 157.7121 157.9049 158.3049 158.9844 159.1225 159.2901 159.4721 160.5080 160.8032 161.1622 161.6316 162.2077 163.3177 164.2005 164.3496 165.1101 165.4265 166.1787 166.8574 168.0307 169.0232 169.0408 169.2556 170.3754 171.4067 172.2634 173.0656 173.4169 174.3295 174.8036 175.3571 177.4647 178.2593 178.4756 180.3105 180.9301 181.4973 181.5481 184.8669 185.0226 185.5523 185.6310 186.6498 187.0842 188.9996 189.1732 189.3219 190.6209 191.1658 191.4161 194.1371 196.0476 196.3287 196.8888 197.3840 200.9540 202.0794 203.3594 205.7800 207.0178 209.6372 215.8240 618.8886 620.1658 628.6300 631.4200 631.8718 634.2425 634.5147 635.2388 636.3284 636.9997 637.6013 639.4005 639.6511 640.3654 642.7081 643.4369 647.1179 648.1869 658.0190 659.1557 883.2147 883.7572 900.6330 1196.5147 1200.0064 1207.9271 1214.6890 -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 -0.335268 -0.235093 -0.286292 -0.452607 0.111991 -0.333770 -0.145095 -0.121736 0.230254 0.084778 -0.271979 -0.160989 -0.029845 0.024191 0.288393 0.112738 -0.174746 -0.173240 -0.063780 -0.128874 -0.151715 -0.251510 -0.167671 -0.109716 -0.194356 -0.167969 0.476691 0.101293 0.096413 0.107848 0.117027 0.123450 0.114243 0.143924 0.112861 0.101701 0.143247 0.141018 0.138379 0.148653 0.147090 0.157930 0.157629 0.168143 0.158369 0.247999 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 8.3353 8.2351 8.2863 8.4526 6.8880 7.3338 7.1451 6.1217 5.7697 5.9152 6.2720 6.1610 6.0298 5.9758 5.7116 5.8873 6.1747 6.1732 6.0638 6.1289 6.1517 6.2515 6.1677 6.1097 6.1944 6.1680 5.5233 0.8987 0.9036 0.8922 0.8830 0.8765 0.8858 0.8561 0.8871 0.8983 0.8568 0.8590 0.8616 0.8513 0.8529 0.8421 0.8424 0.8319 0.8416 0.7520 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 -0.3353 -0.2351 -0.2863 -0.4526 0.1120 -0.3338 -0.1451 -0.1217 0.2303 0.0848 -0.2720 -0.1610 -0.0298 0.0242 0.2884 0.1127 -0.1747 -0.1732 -0.0638 -0.1289 -0.1517 -0.2515 -0.1677 -0.1097 -0.1944 -0.1680 0.4767 0.1013 0.0964 0.1078 0.1170 0.1235 0.1142 0.1439 0.1129 0.1017 0.1432 0.1410 0.1384 0.1487 0.1471 0.1579 0.1576 0.1681 0.1584 0.2480 2.0810 1.9656 2.1918 2.0501 3.3262 2.9144 2.9233 3.5932 4.0376 3.9820 3.9563 3.8951 4.0307 3.7023 3.6474 3.8190 3.9590 3.9647 3.6418 3.9925 4.0007 4.0089 3.8374 3.8965 3.8727 3.8826 4.2280 1.0150 1.0011 0.9955 1.0019 0.9872 1.0008 1.0050 0.9923 1.0134 1.0156 1.0024 1.0265 1.0154 1.0086 0.9979 0.9886 0.9837 0.9910 1.0013 2.0810 1.9656 2.1918 2.0501 3.3262 2.9144 2.9233 3.5932 4.0376 3.9820 3.9563 3.8951 4.0307 3.7023 3.6474 3.8190 3.9590 3.9647 3.6418 3.9925 4.0007 4.0089 3.8374 3.8965 3.8727 3.8826 4.2280 1.0150 1.0011 0.9955 1.0019 0.9872 1.0008 1.0050 0.9923 1.0134 1.0156 1.0024 1.0265 1.0154 1.0086 0.9979 0.9886 0.9837 0.9910 1.0013 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.0532 0.9003 0.8772 0.9480 -0.1124 1.2591 0.9344 1.9603 1.0186 1.3648 0.9019 0.1083 1.7164 1.9613 1.4215 1.2660 0.9673 0.9236 0.9945 0.9794 0.9970 0.9785 0.9722 0.9776 0.9764 0.9370 1.3562 1.3833 1.3775 1.3293 0.9571 1.0149 1.4831 0.9644 1.4734 0.9900 1.3841 1.3617 0.9858 0.9571 0.9743 1.4436 0.9851 1.3810 0.9847 1.4025 0.9803 1.4065 0.9830 0.9839 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 -0.023910815 -1238.815220075258 8.26848 -8.25551 0.01297 2.38602 -2.37823 0.00779 -1.77265 1.90825 0.13560 0.13644 0.34680