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:1.2329,-.6582,.4237;.6864,2.0256,.2193;-4.7835,-1.5778,2.267;-5.6434,-1.2234,.2415;3.4329,-1.3119,.5247;4.6858,-.8486,.4977;1.7448,2.8364,-.0625;3.2315,.8544,.1888;2.5316,-.337,.3511;4.5887,.4443,.2894;5.8027,1.2984,.1963;3.1624,-2.71,.7651;2.8638,2.2309,-.0583;-1.6398,1.8144,.4427;.505,-.8855,-.7206;-.5178,2.7769,.1968;-2.6103,1.5925,-.5268;-1.7087,1.109,1.6422;-3.704,-.0129,.8948;-3.6375,.6908,-.3038;-2.7294,.2036,1.8698;-.669,-1.6051,-.5501;.8869,-.427,-1.9719;-1.4762,-1.8572,-1.6481;.0695,-.6954,-3.063;-1.1124,-1.4045,-2.9098;-4.8079,-.9842,1.0816;6.6989,.6954,.3347;5.8776,1.7903,-.7749;5.8042,2.0802,.9571;4.1136,-3.233,.7785;2.6663,-2.8552,1.7237;2.5435,-3.13,-.026;3.691,2.8969,-.2799;-.6431,3.2762,-.7682;-.4951,3.5489,.9737;-2.5639,2.1266,-1.4677;-.9623,1.27,2.4104;-4.3828,.5321,-1.0717;-2.7553,-.3306,2.8095;-.9459,-1.963,.4332;1.8019,.1337,-2.1125;-2.3939,-2.4153,-1.5141;.3655,-.3375,-4.0407;-1.7439,-1.6045,-3.7653;-5.516,-2.2091,2.3378; 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 2479.7395275208 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 5.554e-06 Time for diagonalization 0.505 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.457 sec Total time needed 0.975 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:1.2329,-.6582,.4237;.6864,2.0256,.2193;-4.7835,-1.5778,2.267;-5.6434,-1.2234,.2415;3.4329,-1.3119,.5247;4.6858,-.8486,.4977;1.7448,2.8364,-.0625;3.2315,.8544,.1888;2.5316,-.337,.3511;4.5887,.4443,.2894;5.8027,1.2984,.1963;3.1624,-2.71,.7651;2.8638,2.2309,-.0583;-1.6398,1.8144,.4427;.505,-.8855,-.7206;-.5178,2.7769,.1968;-2.6103,1.5925,-.5268;-1.7087,1.109,1.6422;-3.704,-.0129,.8948;-3.6375,.6908,-.3038;-2.7294,.2036,1.8698;-.669,-1.6051,-.5501;.8869,-.427,-1.9719;-1.4762,-1.8572,-1.6481;.0695,-.6954,-3.063;-1.1124,-1.4045,-2.9098;-4.8079,-.9842,1.0816;6.6989,.6954,.3347;5.8776,1.7903,-.7749;5.8042,2.0802,.9572;4.1136,-3.233,.7785;2.6663,-2.8552,1.7237;2.5435,-3.13,-.026;3.691,2.8969,-.2799;-.6431,3.2762,-.7682;-.4951,3.5489,.9737;-2.5639,2.1266,-1.4677;-.9623,1.27,2.4104;-4.3828,.5321,-1.0717;-2.7553,-.3307,2.8095;-.9459,-1.963,.4332;1.8019,.1337,-2.1125;-2.3939,-2.4153,-1.5141;.3655,-.3375,-4.0407;-1.7439,-1.6045,-3.7653;-5.516,-2.2091,2.3378; 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:1.2329,-.6582,.4237;.6864,2.0256,.2193;-4.7835,-1.5778,2.267;-5.6434,-1.2234,.2415;3.4329,-1.3119,.5247;4.6858,-.8486,.4977;1.7448,2.8364,-.0625;3.2315,.8544,.1888;2.5316,-.337,.3511;4.5887,.4443,.2894;5.8027,1.2984,.1963;3.1624,-2.71,.7651;2.8638,2.2309,-.0583;-1.6398,1.8144,.4427;.505,-.8855,-.7206;-.5178,2.7769,.1968;-2.6103,1.5925,-.5268;-1.7087,1.109,1.6422;-3.704,-.0129,.8948;-3.6375,.6908,-.3038;-2.7294,.2036,1.8698;-.669,-1.6051,-.5501;.8869,-.427,-1.9719;-1.4762,-1.8572,-1.6481;.0695,-.6954,-3.063;-1.1124,-1.4045,-2.9098;-4.8079,-.9842,1.0816;6.6989,.6954,.3347;5.8776,1.7903,-.7749;5.8042,2.0802,.9571;4.1136,-3.233,.7785;2.6663,-2.8552,1.7237;2.5435,-3.13,-.026;3.691,2.8969,-.2799;-.6431,3.2762,-.7682;-.4951,3.5489,.9737;-2.5639,2.1266,-1.4677;-.9623,1.27,2.4104;-4.3828,.5321,-1.0717;-2.7553,-.3306,2.8095;-.9459,-1.963,.4332;1.8019,.1337,-2.1125;-2.3939,-2.4153,-1.5141;.3655,-.3375,-4.0407;-1.7439,-1.6045,-3.7653;-5.516,-2.2091,2.3378; 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 2721 GEPOL Volume 2440.4057 GEPOL Surface-area 1381.7618 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1238.79093346 2479.73952752 -3718.53046098 -6616.57944953 2898.04898855 -0.03656315 -2472.41452086 1233.62358740 2.00418875 96.000348461070 96.000348461070 192.000696922141 -118.154047370820 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 -524.9208 -524.7257 -524.5733 -523.1478 -394.7232 -393.7629 -392.9401 -283.5608 -282.4906 -281.6665 -280.9986 -280.7714 -280.5768 -280.4943 -280.2694 -280.2552 -280.0558 -280.0240 -279.9283 -279.8735 -279.8685 -279.8343 -279.8142 -279.7751 -279.7164 -279.6073 -279.4208 -33.6828 -33.6316 -33.2957 -32.0726 -31.0808 -27.4490 -26.9195 -26.8166 -26.4500 -25.0325 -24.5666 -23.7919 -23.6863 -23.5146 -23.4062 -22.3775 -21.7878 -20.6959 -20.5314 -19.9696 -19.8299 -19.6976 -18.9856 -18.6521 -18.3309 -17.7983 -17.5331 -16.9796 -16.6435 -16.4869 -16.2686 -16.1994 -15.9912 -15.6999 -15.5949 -15.5572 -15.0341 -14.9598 -14.7848 -14.6351 -14.5348 -14.3609 -14.2925 -14.2299 -14.0406 -13.8336 -13.6173 -13.5314 -13.2855 -13.1709 -12.9513 -12.8843 -12.7933 -12.4399 -12.2979 -12.2338 -11.9526 -11.8127 -11.7456 -10.9293 -10.6114 -10.4550 -10.2060 -9.5850 -9.5548 -9.4158 -9.1930 -8.8374 -8.4430 0.3898 1.1821 1.4794 1.6834 1.8990 2.7353 3.2396 3.4187 3.5223 3.7583 3.9104 4.0235 4.2974 4.4435 4.5572 4.8773 4.8797 4.9382 5.0078 5.1688 5.2879 5.4001 5.4764 5.5493 5.6498 5.6924 5.8047 5.8543 6.0558 6.1166 6.2197 6.3361 6.3777 6.4954 6.6445 6.7740 7.0574 7.1762 7.3051 7.4608 7.5744 7.6458 7.7511 7.9664 8.1457 8.2391 8.3167 8.3776 8.4933 8.6048 8.6908 8.7351 8.8252 8.9478 9.0076 9.1100 9.2951 9.3764 9.4452 9.5850 9.7910 9.8545 9.9833 10.1537 10.1740 10.2831 10.3568 10.5179 10.6985 10.7397 10.8623 11.0932 11.1080 11.2100 11.2772 11.3486 11.4511 11.7248 11.8048 11.8789 11.9459 12.0824 12.1938 12.3086 12.4590 12.6201 12.6783 12.8051 12.8995 12.9835 12.9954 13.1385 13.2412 13.3979 13.4625 13.5947 13.6701 13.7139 13.8135 13.9223 13.9610 14.0500 14.1156 14.2645 14.4455 14.5049 14.6158 14.6733 14.7591 14.8103 14.9597 15.0595 15.0874 15.1943 15.2183 15.2785 15.4751 15.5790 15.6615 15.7549 15.8811 15.9226 16.1109 16.1655 16.1951 16.3457 16.4484 16.7134 16.8377 16.8952 17.0726 17.1994 17.3144 17.3692 17.5403 17.7117 17.7826 17.9852 18.0506 18.2027 18.2407 18.4339 18.5363 18.7502 18.9868 19.0308 19.1627 19.2572 19.5099 19.5946 19.6655 19.7567 19.8633 20.0299 20.2796 20.3923 20.4887 20.6996 20.8416 20.9780 21.2247 21.2777 21.3506 21.5666 21.6224 21.6392 21.7422 21.9433 22.0089 22.0487 22.2566 22.4221 22.4633 22.5389 22.7931 22.9716 23.0362 23.0758 23.2045 23.2270 23.6344 23.7328 23.8415 24.0035 24.1087 24.1784 24.3297 24.4456 24.7706 24.8657 25.0214 25.1274 25.3992 25.4688 25.5547 25.8058 26.0506 26.0711 26.1357 26.4078 26.5691 26.6542 26.7323 26.9483 27.0641 27.1784 27.3610 27.5160 27.5722 27.7712 27.8847 27.8927 28.2382 28.5188 28.7334 28.8467 28.8696 28.9883 29.1706 29.2175 29.3404 29.6364 29.6477 29.7692 29.9496 30.1322 30.1627 30.2629 30.4506 30.6050 30.8637 30.9578 31.2977 31.3765 31.5201 31.6222 31.7764 31.8506 32.0835 32.1842 32.2826 32.6036 32.6398 32.7917 33.0697 33.1057 33.2130 33.3079 33.4631 33.5159 33.7229 33.7878 33.8858 34.0505 34.2622 34.4804 34.5933 34.7578 34.8589 35.0609 35.1582 35.3739 35.5025 35.6572 36.0106 36.1236 36.2717 36.3817 36.5867 36.6761 36.8646 37.1207 37.1876 37.2450 37.5318 37.6862 37.7757 37.8114 38.0071 38.1451 38.3950 38.4755 38.5460 38.5494 38.9108 38.9229 39.0400 39.1883 39.3214 39.4144 39.6192 39.7133 39.8502 40.0614 40.1240 40.3995 40.4893 40.6907 40.9061 40.9633 41.1213 41.2705 41.3661 41.4871 41.5368 41.7776 41.9551 41.9596 42.2238 42.3561 42.4575 42.6824 42.7258 42.8075 43.0736 43.1882 43.2818 43.4902 43.5665 43.7711 43.7893 43.8990 44.0988 44.2750 44.4295 44.5655 44.7527 44.8678 45.0143 45.0313 45.2324 45.5976 45.7458 45.8919 46.0022 46.0795 46.1574 46.3779 46.5181 46.7697 46.8939 47.2054 47.3352 47.4386 47.6005 47.8227 47.8787 48.1723 48.3163 48.3766 48.4781 48.6316 48.7808 48.9460 49.1686 49.3004 49.4442 49.8033 49.8731 49.9678 50.3048 50.5679 50.7409 51.0138 51.1843 51.5172 51.7209 52.1212 52.1944 52.4797 52.5489 52.9316 53.0431 53.1868 53.4375 53.5449 53.6712 53.9381 54.2447 54.4709 54.6295 54.6507 54.9914 55.1312 55.3610 55.7855 56.0746 56.2048 56.5691 56.7982 56.9349 57.0351 57.1854 57.2956 57.4067 57.7567 58.0173 58.1420 58.2220 58.4164 58.5473 58.8070 58.8912 59.1815 59.3134 59.5024 59.6557 59.7906 60.1076 60.2618 60.4508 60.7078 60.8329 61.2165 61.5586 61.9692 62.4047 62.8040 63.0064 63.3029 63.4476 63.6836 64.1965 64.4653 64.8726 64.9146 65.2056 65.2517 65.6197 65.7313 65.8463 66.2170 66.2780 66.7165 67.0049 67.2352 67.3843 67.4841 67.6222 67.7779 68.0015 68.2671 68.5061 68.6423 68.9451 69.2113 69.3818 69.6126 69.8869 70.0865 70.3945 70.7323 70.8649 71.2196 71.4262 71.5970 72.0539 72.2650 72.4821 72.9002 73.0067 73.2987 73.6626 73.8252 74.1872 74.2097 74.4881 74.6402 74.9939 75.0739 75.2542 75.5931 75.9462 76.2345 76.3227 76.5804 76.6427 76.7389 76.9426 77.2663 77.3020 77.4779 77.6237 77.7567 77.9182 78.0532 78.2920 78.4242 78.6721 78.7656 78.8213 78.9263 79.1398 79.2677 79.3217 79.4977 79.5122 79.6333 79.7944 80.1208 80.2209 80.2820 80.5602 80.7629 80.8193 80.9033 81.0350 81.1374 81.2766 81.3944 81.6348 81.7794 81.8647 82.0792 82.2121 82.3787 82.5015 82.6863 82.8062 83.0365 83.2755 83.3471 83.4734 83.5786 83.7166 83.8548 84.0862 84.2474 84.3307 84.3935 84.5823 84.6737 84.7704 85.0267 85.1773 85.2370 85.3225 85.5456 85.6950 85.7581 85.7873 85.9430 86.0591 86.2250 86.4109 86.5739 86.7907 86.9064 87.1414 87.2850 87.3066 87.3572 87.4748 87.5688 87.6563 87.9089 87.9802 88.0760 88.0970 88.3626 88.4985 88.6290 88.7576 88.8540 89.1167 89.1638 89.3395 89.6652 89.7172 89.9198 90.1257 90.1762 90.3432 90.4229 90.6891 90.7653 90.8864 90.9740 91.2437 91.4303 91.5731 91.6686 91.7713 91.8954 92.1055 92.2685 92.3581 92.4495 92.6677 92.6980 92.8693 92.9297 93.0081 93.2358 93.3605 93.4254 93.5363 93.6751 93.8440 93.8626 93.9320 94.0538 94.2993 94.4527 94.4932 94.6834 94.8255 94.8495 94.9271 95.2199 95.2876 95.3653 95.4411 95.5793 95.9203 96.0807 96.1955 96.2809 96.3599 96.4270 96.6143 96.8271 97.0317 97.2131 97.3172 97.4824 97.5983 97.8257 97.8818 97.9444 98.1479 98.2909 98.5162 98.5494 98.6228 98.8638 98.9191 98.9946 99.0882 99.3765 99.6265 99.7259 99.8296 99.9259 100.0628 100.2349 100.2865 100.6348 100.7200 101.0537 101.1716 101.4495 101.5535 101.6129 101.8393 102.0561 102.2818 102.4957 102.5477 102.8051 102.9680 103.0476 103.2746 103.4020 103.6767 103.7338 103.9658 104.0075 104.3786 104.5682 104.8814 104.9840 105.0503 105.3816 105.4123 105.5917 105.6210 105.7037 105.8424 105.9610 106.0036 106.2262 106.3281 106.6317 106.7927 106.8042 107.0433 107.2426 107.4653 107.4848 107.9259 108.0031 108.1125 108.3675 108.5400 108.7188 108.7654 108.9988 109.0777 109.2278 109.4172 109.5137 109.7362 109.8925 110.0410 110.0630 110.3137 110.5324 110.6179 110.7613 110.9982 111.3096 111.4684 111.5869 111.7678 111.8819 111.9820 112.2293 112.3889 112.7511 112.8204 112.9045 113.1313 113.3052 113.6267 113.8081 114.0288 114.0914 114.1602 114.5064 114.6919 114.8564 114.9986 115.0554 115.4123 115.4940 115.5482 115.6675 115.8493 116.2107 116.3770 116.6620 117.0830 117.2056 117.3000 117.4694 117.6475 117.8930 118.1186 118.1910 118.2177 118.4945 118.5813 118.6487 118.7274 118.8861 119.0520 119.2534 119.3408 119.5119 119.6087 119.7286 119.7510 119.9793 120.0805 120.3543 120.5170 120.6569 120.7686 120.9389 121.1007 121.2778 121.5739 121.6784 121.8933 121.9885 122.1603 122.6037 122.6905 122.9758 123.0845 123.3300 123.5165 123.8652 124.1781 124.6488 124.9223 125.4357 125.9319 126.2526 126.5125 126.9098 127.2399 127.2746 127.7346 127.9401 128.2143 128.3274 128.7278 128.7710 129.1719 129.4393 129.6339 129.8800 130.0553 130.1237 130.3507 130.5967 131.0238 131.3689 131.5370 131.6175 131.7626 132.0054 132.0267 132.2335 132.3414 132.5969 132.7877 132.9456 133.0060 133.1023 133.2405 133.2735 133.6169 134.2104 134.4560 134.5701 134.9434 134.9973 135.2879 135.3607 135.7490 135.8775 136.3526 136.4935 136.6281 136.7364 137.3235 137.5563 137.7737 138.1562 138.3833 138.4431 138.5433 138.6879 138.8334 139.1569 139.2779 139.8285 140.1511 140.4602 140.5792 140.9874 141.1386 141.4053 141.6066 142.0119 142.2149 142.6660 142.8171 142.9037 143.2835 143.5770 143.8344 144.3293 144.6334 144.7459 145.1937 145.3785 145.5267 145.8100 146.0600 146.2938 146.7503 146.9002 147.2204 147.6379 147.7856 147.9550 148.0684 148.5030 148.6109 148.8159 148.9692 149.0691 149.2379 149.3058 149.4191 149.8038 150.0876 150.2964 150.5090 150.7200 150.8283 150.8726 151.2336 151.4173 151.7603 152.3794 152.5189 152.6842 152.8933 152.9166 153.2340 153.8533 154.1638 154.3100 155.1176 155.5839 155.8559 156.1689 156.5893 156.7314 156.7426 157.0147 157.1633 157.5791 157.7266 158.1668 158.3744 159.0236 159.3786 159.5061 159.7235 160.7353 161.5031 162.0083 162.5381 163.4307 163.8876 164.3032 164.9864 165.3248 165.4354 166.8881 167.4112 168.1685 168.8551 168.8619 169.2710 170.7062 171.2857 172.8757 173.0269 173.7453 174.8238 175.1339 175.4227 178.1833 178.4698 179.0531 180.9370 181.3513 181.5175 182.0421 184.7123 184.9852 185.5355 185.6206 187.2119 187.9313 188.3778 189.2062 190.3726 190.6045 191.0374 191.4506 194.1741 196.3054 196.7296 197.4101 197.9944 201.0483 202.1081 203.3416 207.0304 207.1772 209.6328 216.1213 618.8617 624.9558 628.3017 631.7693 632.6544 634.4721 634.6887 635.7139 636.9505 637.5269 637.7305 638.4030 640.3705 641.7626 642.9237 643.3026 647.8489 649.3563 658.4087 659.3419 882.2886 883.0980 901.0235 1197.0998 1200.0507 1208.9226 1217.1183 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 -0.317879 -0.206542 -0.284686 -0.449882 0.140891 -0.342682 -0.169379 -0.146744 0.241195 0.079604 -0.279932 -0.166863 0.010210 -0.034665 0.296017 0.086674 -0.107669 -0.153851 -0.001137 -0.177570 -0.187431 -0.242000 -0.213935 -0.123657 -0.143268 -0.181882 0.481054 0.099124 0.106720 0.111457 0.114428 0.124679 0.119442 0.128250 0.093701 0.110305 0.142664 0.143250 0.140514 0.147825 0.144743 0.154238 0.152586 0.157771 0.156717 0.247599 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 8.3179 8.2065 8.2847 8.4499 6.8591 7.3427 7.1694 6.1467 5.7588 5.9204 6.2799 6.1669 5.9898 6.0347 5.7040 5.9133 6.1077 6.1539 6.0011 6.1776 6.1874 6.2420 6.2139 6.1237 6.1433 6.1819 5.5189 0.9009 0.8933 0.8885 0.8856 0.8753 0.8806 0.8718 0.9063 0.8897 0.8573 0.8567 0.8595 0.8522 0.8553 0.8458 0.8474 0.8422 0.8433 0.7524 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 -0.3179 -0.2065 -0.2847 -0.4499 0.1409 -0.3427 -0.1694 -0.1467 0.2412 0.0796 -0.2799 -0.1669 0.0102 -0.0347 0.2960 0.0867 -0.1077 -0.1539 -0.0011 -0.1776 -0.1874 -0.2420 -0.2139 -0.1237 -0.1433 -0.1819 0.4811 0.0991 0.1067 0.1115 0.1144 0.1247 0.1194 0.1282 0.0937 0.1103 0.1427 0.1433 0.1405 0.1478 0.1447 0.1542 0.1526 0.1578 0.1567 0.2476 2.0529 1.9760 2.1947 2.0520 3.3094 2.9338 2.9812 3.5762 4.1178 3.9549 3.9543 3.8961 4.0589 3.7194 3.5901 3.8499 3.8484 3.8826 3.4933 3.9792 3.9815 3.9216 3.9193 3.8383 3.9123 3.8963 4.2218 1.0159 0.9904 0.9895 1.0107 0.9885 0.9903 1.0080 1.0085 0.9991 1.0021 1.0082 1.0229 1.0166 1.0109 1.0014 0.9949 0.9899 0.9906 1.0016 2.0529 1.9760 2.1947 2.0520 3.3094 2.9338 2.9812 3.5762 4.1178 3.9549 3.9543 3.8961 4.0589 3.7194 3.5901 3.8499 3.8484 3.8826 3.4933 3.9792 3.9815 3.9216 3.9193 3.8383 3.9123 3.8963 4.2218 1.0159 0.9904 0.9895 1.0107 0.9885 0.9903 1.0080 1.0085 0.9991 1.0021 1.0082 1.0229 1.0166 1.0109 1.0014 0.9949 0.9899 0.9906 1.0016 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0540 0.8757 0.8976 0.9564 -0.1110 1.2620 0.9344 1.9640 1.0175 1.3790 0.8938 0.1224 1.7261 1.9605 1.4035 1.2591 0.9921 0.9226 0.9927 0.9851 0.9881 0.9800 0.9742 0.9722 0.9914 0.9869 1.3475 1.3169 1.3269 1.3501 0.9846 0.9641 1.4399 1.0049 1.4633 1.0100 1.3461 1.3252 0.9835 0.9900 0.9909 1.4015 0.9925 1.4219 0.9743 1.3874 0.9962 1.4265 0.9804 0.9875 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 -0.026675713 -1238.817609170477 10.31867 -9.94408 0.37458 -0.34927 -0.22487 -0.57414 -3.54275 3.86183 0.31908 0.75615 1.92199