Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O O N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 1 1 1 1 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 306.2075999999998 AuxInfo=1/0/N:15,16,9,10,21,22,19,20,11,14,13,17,18,7,8,23,24,12,6,5,3,4,2,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)(16,17)(21,22)/CRV:9.3,11.3,12.3,13.3,16.3,17.3,18.3,21.1,22.1,23.1/rA:49nOO1O1O1NCCCCCC3C3C3CCCC3C3CCCCC3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s1s2s8;s11;s1s5;s13;s13;;s17;s17;s18;s19;s20s21;s3s5s17;s4s5s18;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s15;s15;s15;s16;s16;s16;s19;s19;s20;s20;s21;s21;s22;s22;/rC:-.3816,.8406,-.589;-1.7946,1.9197,.7742;2.8688,1.3524,-2.2465;1.4582,.4189,1.9676;1.8684,1.1415,-.1786;-2.8142,-1.0488,1.1748;-3.7943,-.2451,.391;-2.3423,-.2615,-.0428;-2.4351,-.5953,2.5632;-2.7929,-2.5496,1.0158;-4.8385,-.868,-.4629;-1.5177,.9477,.1146;-5.4113,-.2776,-1.5149;.6365,1.8176,-.4085;-6.4905,-.9565,-2.3008;-5.0422,1.0945,-1.987;3.9074,.1096,-.4476;3.493,-.1731,.7883;5.2002,-.3212,-1.0335;4.2404,-.9925,1.7731;6.1218,-.8158,.0825;5.3862,-1.7226,1.0682;2.8692,.9309,-1.1192;2.1684,.4632,.9957;-4.0878,.6875,.8667;-2.0966,-.8669,-.9082;-2.5458,.4771,2.7088;-3.0748,-1.0891,3.2977;-1.4018,-.8621,2.7959;-1.8136,-2.948,1.2881;-3.5308,-3.0169,1.6715;-3.004,-2.87,-.0045;-5.1762,-1.862,-.1832;.4102,2.4751,.4285;.7249,2.4155,-1.3141;-7.402,-.3531,-2.3212;-6.1892,-1.0935,-3.3429;-6.7438,-1.935,-1.8927;-4.8581,1.0991,-3.0638;-5.8631,1.7956,-1.8142;-4.1577,1.496,-1.4955;5.0204,-1.1125,-1.7685;5.6605,.502,-1.5853;4.6231,-.3422,2.5665;3.5692,-1.7009,2.2649;6.9714,-1.345,-.3514;6.5301,.0458,.6188;6.083,-2.1117,1.8119;4.9864,-2.5881,.5321; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1451 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 178 Dim 1094 ENuc 2074.0200681031 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 1.463e-05 Time for diagonalization 0.895 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.478 sec Total time needed 1.396 sec 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2075999999998 AuxInfo=1/0/N:15,16,9,10,21,22,19,20,11,14,13,17,18,7,8,23,24,12,6,5,3,4,2,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)(16,17)(21,22)/CRV:9.3,11.3,12.3,13.3,16.3,17.3,18.3,21.1,22.1,23.1/rA:49nOO1O1O1NCCCCCC3C3C3CCCC3C3CCCCC3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s1s2s8;s11;s1s5;s13;s13;;s17;s17;s18;s19;s20s21;s3s5s17;s4s5s18;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s15;s15;s15;s16;s16;s16;s19;s19;s20;s20;s21;s21;s22;s22;/rC:-.3816,.8406,-.589;-1.7946,1.9197,.7742;2.8688,1.3524,-2.2465;1.4582,.4189,1.9676;1.8684,1.1415,-.1786;-2.8142,-1.0488,1.1748;-3.7943,-.2451,.391;-2.3423,-.2615,-.0428;-2.4351,-.5953,2.5632;-2.7929,-2.5496,1.0158;-4.8385,-.868,-.4629;-1.5177,.9477,.1146;-5.4113,-.2776,-1.5149;.6365,1.8176,-.4085;-6.4905,-.9565,-2.3008;-5.0422,1.0945,-1.987;3.9074,.1096,-.4476;3.493,-.1732,.7883;5.2002,-.3212,-1.0335;4.2404,-.9925,1.7731;6.1218,-.8158,.0825;5.3862,-1.7226,1.0682;2.8692,.9309,-1.1192;2.1684,.4632,.9957;-4.0878,.6875,.8667;-2.0966,-.8669,-.9082;-2.5458,.4771,2.7088;-3.0748,-1.0891,3.2977;-1.4018,-.8621,2.7959;-1.8136,-2.948,1.2881;-3.5308,-3.0169,1.6715;-3.004,-2.87,-.0045;-5.1762,-1.862,-.1832;.4102,2.4751,.4285;.7249,2.4155,-1.3141;-7.402,-.3531,-2.3212;-6.1892,-1.0935,-3.3429;-6.7438,-1.935,-1.8927;-4.8581,1.099,-3.0638;-5.8631,1.7956,-1.8142;-4.1577,1.496,-1.4955;5.0204,-1.1125,-1.7685;5.6606,.502,-1.5853;4.6231,-.3422,2.5665;3.5692,-1.7009,2.2649;6.9714,-1.345,-.3514;6.5301,.0458,.6188;6.083,-2.1117,1.8119;4.9864,-2.5881,.5321; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 306.2075999999998 AuxInfo=1/0/N:15,16,9,10,21,22,19,20,11,14,13,17,18,7,8,23,24,12,6,5,3,4,2,1/E:(1,2)(3,4)(5,6)(7,8)(12,13)(16,17)(21,22)/CRV:9.3,11.3,12.3,13.3,16.3,17.3,18.3,21.1,22.1,23.1/rA:49nOO1O1O1NCCCCCC3C3C3CCCC3C3CCCCC3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s1s2s8;s11;s1s5;s13;s13;;s17;s17;s18;s19;s20s21;s3s5s17;s4s5s18;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s15;s15;s15;s16;s16;s16;s19;s19;s20;s20;s21;s21;s22;s22;/rC:-.3816,.8406,-.589;-1.7946,1.9197,.7742;2.8688,1.3524,-2.2465;1.4582,.4189,1.9676;1.8684,1.1415,-.1786;-2.8142,-1.0488,1.1748;-3.7943,-.2451,.391;-2.3423,-.2615,-.0428;-2.4351,-.5953,2.5632;-2.7929,-2.5496,1.0158;-4.8385,-.868,-.4629;-1.5177,.9477,.1146;-5.4113,-.2776,-1.5149;.6365,1.8176,-.4085;-6.4905,-.9565,-2.3008;-5.0422,1.0945,-1.987;3.9074,.1096,-.4476;3.493,-.1731,.7883;5.2002,-.3212,-1.0335;4.2404,-.9925,1.7731;6.1218,-.8158,.0825;5.3862,-1.7226,1.0682;2.8692,.9309,-1.1192;2.1684,.4632,.9957;-4.0878,.6875,.8667;-2.0966,-.8669,-.9082;-2.5458,.4771,2.7088;-3.0748,-1.0891,3.2977;-1.4018,-.8621,2.7959;-1.8136,-2.948,1.2881;-3.5308,-3.0169,1.6715;-3.004,-2.87,-.0045;-5.1762,-1.862,-.1832;.4102,2.4751,.4285;.7249,2.4155,-1.3141;-7.402,-.3531,-2.3212;-6.1892,-1.0935,-3.3429;-6.7438,-1.935,-1.8927;-4.8581,1.0991,-3.0638;-5.8631,1.7956,-1.8142;-4.1577,1.496,-1.4955;5.0204,-1.1125,-1.7685;5.6605,.502,-1.5853;4.6231,-.3422,2.5665;3.5692,-1.7009,2.2649;6.9714,-1.345,-.3514;6.5301,.0458,.6188;6.083,-2.1117,1.8119;4.9864,-2.5881,.5321; 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 2898 GEPOL Volume 2314.6555 GEPOL Surface-area 1363.6172 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1094.87849530 2074.02006810 -3168.89856340 -5610.33826368 2441.43970028 -0.02946615 -2184.92237092 1090.04387562 2.00443525 88.999951184230 88.999951184230 177.999902368460 -105.971139856951 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -524.7963 -523.5951 -523.5863 -523.0856 -393.9103 -283.4154 -283.3269 -283.3051 -282.3189 -280.4661 -280.4421 -280.2929 -279.9458 -279.8523 -279.7868 -279.7819 -279.7417 -279.4826 -279.4771 -279.2385 -279.1888 -279.1573 -279.1459 -279.1131 -33.7939 -32.8864 -32.3744 -31.2402 -29.7297 -27.3464 -26.8205 -25.1555 -24.9161 -23.8836 -23.4258 -22.9502 -22.0557 -21.7924 -21.7235 -21.3036 -20.9290 -20.0712 -19.7436 -18.7383 -18.3343 -18.0476 -17.8718 -17.1484 -16.8255 -16.4893 -16.3793 -16.0825 -15.9213 -15.6893 -15.4247 -15.3622 -15.0723 -14.9611 -14.6369 -14.5099 -14.4717 -14.3660 -14.0907 -13.9852 -13.9383 -13.5995 -13.5598 -13.4369 -13.2076 -13.1195 -12.8908 -12.8692 -12.7279 -12.4392 -12.3104 -12.0281 -11.7096 -11.6480 -11.4902 -11.4592 -11.4103 -10.9368 -10.8217 -10.6578 -10.3816 -10.2173 -9.9741 -9.5905 -8.6430 -0.4010 1.9521 2.7744 3.0668 3.2571 3.3642 3.7107 3.9762 4.1342 4.2028 4.3251 4.4088 4.4158 4.6885 4.7229 4.8292 5.0375 5.1485 5.2149 5.2454 5.2906 5.4410 5.5939 5.6892 5.7951 5.8013 6.0465 6.1170 6.2211 6.2844 6.3693 6.4764 6.5516 6.5721 6.6886 6.8100 6.9038 6.9578 7.0620 7.2246 7.4185 7.5210 7.5456 7.6219 7.7556 7.8332 7.9022 8.0015 8.0414 8.0826 8.3898 8.5228 8.6806 8.8013 9.0162 9.2306 9.3069 9.4171 9.5267 9.7083 9.8663 10.0865 10.1235 10.1677 10.3464 10.4149 10.5258 10.5482 10.7574 10.8465 10.9048 11.0759 11.1546 11.3676 11.4458 11.5716 11.9060 12.0174 12.1273 12.2406 12.3796 12.4760 12.5516 12.6593 12.7020 12.8471 12.8725 13.0340 13.0824 13.2600 13.3238 13.4291 13.4591 13.6024 13.6547 13.8701 13.9202 14.0165 14.1768 14.2495 14.2583 14.3287 14.3949 14.4533 14.4884 14.5965 14.7295 14.7677 14.8437 14.9095 15.0287 15.0574 15.1533 15.2564 15.3216 15.4104 15.4887 15.5193 15.5828 15.6392 15.7386 15.8548 15.8714 16.0326 16.1301 16.2164 16.2600 16.4313 16.6306 16.6642 16.7659 16.9651 17.0648 17.1561 17.4380 17.4758 17.6054 17.7388 17.8808 17.9978 18.1232 18.2429 18.4371 18.6850 18.7695 18.9368 19.0590 19.2059 19.2951 19.4908 19.6519 19.7611 19.8045 20.0927 20.1985 20.6719 20.7501 20.8025 21.0008 21.1354 21.2131 21.2502 21.4602 21.6723 21.9780 22.0676 22.2742 22.4511 22.5136 22.7767 22.9546 23.1528 23.2494 23.5060 23.6321 23.7955 23.8298 23.8904 24.0369 24.2642 24.3366 24.4170 24.7533 24.8951 25.0755 25.1403 25.3052 25.3805 25.4410 25.6650 26.0525 26.1173 26.2691 26.4664 26.6278 26.9146 26.9514 27.0333 27.2911 27.5650 27.6812 28.1416 28.2730 28.3113 28.4108 28.5983 28.6203 28.7435 28.9186 28.9862 29.2207 29.3083 29.5093 29.5469 29.7057 29.8267 29.8508 29.9394 30.1276 30.1376 30.4393 30.4479 30.6784 30.8198 30.9375 31.0810 31.1998 31.2895 31.4081 31.5063 31.6118 31.7944 32.0004 32.1259 32.2164 32.2356 32.4701 32.7641 32.9622 32.9982 33.1279 33.1643 33.2825 33.4201 33.5014 33.5486 33.7401 33.7486 33.9053 34.0059 34.0494 34.1840 34.4531 34.5061 34.7338 34.9069 35.2086 35.2685 35.5541 35.6780 35.7707 35.8541 35.9976 36.1152 36.2588 36.4078 36.5048 36.7481 36.8181 37.0682 37.1801 37.2661 37.5286 37.7319 37.8697 38.0110 38.1612 38.3689 38.4309 38.6372 38.7797 38.8747 39.1219 39.3173 39.4153 39.7088 39.8050 39.8441 40.1384 40.1734 40.3718 40.4393 40.6075 40.6306 40.7488 41.1141 41.3427 41.4632 41.5528 41.6371 41.8346 41.9789 42.0833 42.1790 42.3359 42.4045 42.5198 42.6947 42.7330 42.8843 42.9766 43.0374 43.1936 43.4579 43.5044 43.6141 43.6745 43.7693 43.8877 44.0628 44.1589 44.3372 44.5819 44.6443 44.7599 44.7716 44.8515 45.1724 45.2150 45.5426 45.6984 45.7956 45.9943 46.0722 46.2059 46.3320 46.4372 46.5852 46.7431 46.9540 47.0765 47.1373 47.1941 47.4247 47.7458 47.7710 47.8341 47.9604 48.0438 48.1430 48.3384 48.5178 48.6892 48.9941 49.2142 49.6100 49.8675 49.9755 50.3285 50.3589 50.5343 50.8182 51.0491 51.4529 51.5366 51.9721 52.0474 52.3013 52.4901 52.6370 53.2779 53.4896 53.5805 54.0108 54.1558 54.4335 54.6702 54.8960 55.1380 55.8441 56.1480 56.4442 56.7853 56.7948 57.0077 57.2933 57.4652 57.6129 57.9184 58.0946 58.6366 58.8604 58.9628 59.0484 59.6091 60.1480 60.2907 60.4923 60.8017 61.0247 61.0962 61.4713 61.7129 61.9711 62.1802 62.3279 62.6354 62.6950 62.8328 63.0212 63.1943 63.3184 63.3798 64.0042 64.2356 64.4945 65.0044 65.2046 65.8320 66.0141 66.2089 66.4670 66.7641 67.0938 67.5096 67.8402 67.9720 68.1047 68.2052 68.6381 68.9112 69.1834 69.4860 69.5871 70.1846 70.3514 70.5240 70.7677 71.0108 71.0213 71.1645 71.5077 71.7032 71.7385 71.8840 72.1673 72.4426 72.6248 72.7811 73.0927 73.1939 73.3104 73.7240 73.8977 74.2111 74.4644 74.6743 74.8044 75.0368 75.2090 75.4192 75.5046 75.5594 75.5713 75.6931 75.9231 76.0861 76.3946 76.6667 76.9353 77.0281 77.3756 77.5901 77.7722 77.8591 78.1614 78.3561 78.5781 78.6892 78.8025 79.0181 79.0859 79.1739 79.2823 79.4879 79.6667 79.7517 79.8689 80.0462 80.1605 80.2103 80.4576 80.6231 80.8892 81.0596 81.1041 81.1557 81.2286 81.4108 81.5517 81.6003 81.8170 81.9363 82.1026 82.1592 82.1886 82.4707 82.5758 83.0117 83.0864 83.2132 83.4025 83.6179 83.7186 83.7822 83.8657 84.1270 84.2940 84.5119 84.6296 84.7056 84.8398 85.1014 85.1154 85.3155 85.3293 85.4298 85.5659 85.7249 85.8498 86.0580 86.2129 86.3291 86.3668 86.5409 86.6718 86.7092 86.8024 86.9659 87.0242 87.3322 87.4318 87.7088 87.9157 87.9896 88.0785 88.2461 88.3694 88.5336 88.5823 88.7146 88.8789 88.9669 89.2062 89.2794 89.4770 89.5335 89.6390 89.7532 89.8749 90.0433 90.2345 90.3903 90.5808 90.7302 91.0198 91.1023 91.1396 91.2773 91.3615 91.5469 91.7058 91.8622 91.9897 92.0894 92.3282 92.4535 92.5614 92.6535 92.8856 92.9378 93.1286 93.2782 93.4733 93.5248 93.5698 93.7808 93.9287 94.0228 94.2931 94.4694 94.6816 94.7407 94.8604 95.0426 95.1710 95.2159 95.2781 95.5107 95.6186 95.7082 95.8803 95.9920 96.0961 96.3833 96.6649 96.8095 96.9226 96.9966 97.1387 97.2749 97.3438 97.4970 97.7848 97.9413 98.0394 98.0725 98.2452 98.4251 98.6634 98.7963 98.8257 99.0241 99.2254 99.2774 99.4868 99.6911 99.7424 99.8854 100.0105 100.0911 100.3286 100.5249 100.6147 100.7745 100.8155 101.1250 101.1800 101.6984 101.7329 101.7969 101.9798 102.3170 102.4427 102.5606 102.6735 102.8058 102.9964 103.0722 103.3076 103.5011 103.6744 103.8249 103.9825 104.0619 104.3065 104.4239 104.5061 104.6899 105.0838 105.2621 105.3869 105.5308 105.7360 105.7727 105.9417 106.3626 106.5704 106.7963 106.9009 106.9955 107.1633 107.3081 107.5153 107.6715 108.1414 108.2076 108.3809 108.4877 108.6363 108.8609 108.9154 109.0121 109.1450 109.5270 109.6849 109.7221 109.8929 110.0434 110.0577 110.2789 110.4952 110.6015 110.8059 110.9316 110.9964 111.1127 111.2458 111.6746 111.8199 111.9742 112.0382 112.1736 112.3520 112.4311 112.6320 112.7207 112.8597 113.0264 113.1032 113.5646 113.6750 113.8187 114.0023 114.0674 114.1432 114.1965 114.4459 114.6287 114.7233 114.8148 115.0477 115.2063 115.2699 115.3626 115.3902 115.4652 115.7490 115.8502 115.9199 116.1059 116.2570 116.3696 116.4836 116.8518 116.9610 117.1798 117.2397 117.2835 117.4323 117.5470 117.6478 117.7547 117.8751 118.1396 118.4071 118.4258 118.7465 118.7692 118.9825 119.0291 119.3644 119.4338 119.7967 120.0978 120.2136 120.3186 120.3891 120.5715 120.9379 121.1310 121.1554 121.3387 121.8849 122.0682 122.3213 122.3306 122.4885 122.7433 122.9179 123.1480 123.5914 123.7218 123.9297 124.1004 124.2387 124.3789 125.0682 125.1221 125.2546 125.3894 125.9897 126.1479 126.2551 126.4147 126.4430 126.7151 126.8178 126.9281 127.4756 127.7000 127.9802 128.3553 128.4463 128.6890 128.8604 129.2150 129.4550 129.5250 129.6323 129.7133 129.9675 130.3042 130.3500 130.4770 130.5996 130.9471 131.2219 131.3079 131.5325 131.6469 132.0001 132.1289 132.4378 132.6551 133.0534 133.4254 133.5986 133.8452 134.1830 134.2364 134.3054 134.5097 134.7621 135.1452 135.1643 135.5495 135.6272 135.7534 136.2260 136.6452 136.8934 137.6268 137.8229 138.4613 138.5581 138.8215 138.8817 139.1632 139.3524 139.4668 139.6045 139.7620 139.9012 140.4086 140.4741 140.7395 141.1510 141.2972 141.5193 141.7639 142.1842 142.3161 142.4923 142.8312 143.0952 143.3202 143.4303 143.5655 143.7587 143.9715 144.0361 144.2964 144.6122 144.7319 144.8959 144.9775 145.2758 145.4711 145.6506 145.7422 146.0487 146.3056 146.4358 146.5716 146.8117 146.8753 147.1012 147.4422 147.6781 147.9616 148.1565 148.3293 148.4526 148.6982 148.9431 149.0722 149.4472 149.5366 149.7411 149.9600 150.1348 150.2841 150.3686 150.5757 150.7302 150.8521 150.9548 151.1842 151.2528 151.3602 151.8061 151.9292 152.0403 152.5299 152.6345 152.8150 152.9472 153.0712 153.5075 153.6273 154.0081 154.1153 154.3469 154.4855 154.7342 154.8330 155.7578 155.9419 156.0329 156.3195 156.4623 156.5320 156.7804 157.4876 157.5485 157.7995 157.8778 157.9766 158.0649 159.0270 159.0903 159.3246 159.4926 159.7466 159.9108 159.9798 160.5098 160.5341 160.6334 161.4462 161.7801 162.0117 163.1092 164.4655 166.0336 166.2948 166.7015 168.7379 171.0446 171.2943 171.4893 172.4393 173.8312 175.6515 175.7880 176.1518 176.7007 178.0001 179.2221 180.3242 181.7695 182.2864 182.5903 184.7640 186.6584 187.5380 188.0264 188.4057 188.9176 192.5197 192.6797 194.8441 195.9657 195.9780 196.7724 196.9794 198.4837 199.3669 204.2714 206.7045 618.0734 621.5286 626.1705 631.5890 635.7796 639.1689 639.8334 640.9743 641.2669 642.3323 642.6489 643.2520 643.8544 644.7322 646.9764 648.1972 650.0009 650.7022 651.2443 903.1596 1199.0328 1200.1784 1201.1081 1210.3467 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O O N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.280915 -0.459513 -0.408996 -0.414870 -0.094650 0.154459 -0.032201 -0.098791 -0.274494 -0.291815 -0.282590 0.387219 -0.014606 0.077827 -0.225709 -0.246118 -0.084719 -0.054895 -0.075236 -0.069408 -0.133015 -0.137834 0.325129 0.311663 0.103569 0.094304 0.094281 0.096897 0.094787 0.098411 0.099822 0.092486 0.122000 0.140099 0.125104 0.094086 0.094887 0.088338 0.093427 0.102653 0.081497 0.101621 0.093352 0.100480 0.094241 0.080151 0.078072 0.080684 0.078828 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 O O O O N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 8.2809 8.4595 8.4090 8.4149 7.0946 5.8455 6.0322 6.0988 6.2745 6.2918 6.2826 5.6128 6.0146 5.9222 6.2257 6.2461 6.0847 6.0549 6.0752 6.0694 6.1330 6.1378 5.6749 5.6883 0.8964 0.9057 0.9057 0.9031 0.9052 0.9016 0.9002 0.9075 0.8780 0.8599 0.8749 0.9059 0.9051 0.9117 0.9066 0.8973 0.9185 0.8984 0.9066 0.8995 0.9058 0.9198 0.9219 0.9193 0.9212 8.0000 8.0000 8.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.2809 -0.4595 -0.4090 -0.4149 -0.0946 0.1545 -0.0322 -0.0988 -0.2745 -0.2918 -0.2826 0.3872 -0.0146 0.0778 -0.2257 -0.2461 -0.0847 -0.0549 -0.0752 -0.0694 -0.1330 -0.1378 0.3251 0.3117 0.1036 0.0943 0.0943 0.0969 0.0948 0.0984 0.0998 0.0925 0.1220 0.1401 0.1251 0.0941 0.0949 0.0883 0.0934 0.1027 0.0815 0.1016 0.0934 0.1005 0.0942 0.0802 0.0781 0.0807 0.0788 2.1035 2.0465 2.1095 2.0965 3.0949 3.7161 3.8322 3.8078 3.8841 3.9116 3.8830 4.1556 3.7096 3.8592 3.9283 3.9432 3.6998 3.6634 3.9209 3.9183 3.9119 3.9160 4.2223 4.2145 1.0254 1.0314 1.0170 1.0020 1.0054 1.0028 0.9991 1.0011 1.0031 1.0161 1.0131 0.9955 0.9967 1.0068 0.9998 0.9979 1.0137 1.0050 1.0158 1.0052 1.0153 1.0100 1.0067 1.0096 1.0065 2.1035 2.0465 2.1095 2.0965 3.0949 3.7161 3.8322 3.8078 3.8841 3.9116 3.8830 4.1556 3.7096 3.8592 3.9283 3.9432 3.6998 3.6634 3.9209 3.9183 3.9119 3.9160 4.2223 4.2145 1.0254 1.0314 1.0170 1.0020 1.0054 1.0028 0.9991 1.0011 1.0031 1.0161 1.0131 0.9955 0.9967 1.0068 0.9998 0.9979 1.0137 1.0050 1.0158 1.0052 1.0153 1.0100 1.0067 1.0096 1.0065 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1546 0.8828 1.9038 2.0353 2.0202 0.9485 1.1071 1.1214 0.9564 0.8552 0.9390 0.9247 0.9162 0.9628 0.9982 1.0137 1.0150 0.9860 0.9896 0.9964 0.9892 0.9972 0.9945 1.8543 0.9950 0.9612 0.9674 0.9793 0.9741 0.9787 0.9833 0.9994 0.9860 0.9829 0.9979 1.7392 0.9760 0.9708 0.9774 0.9556 0.9294 0.9833 1.0006 0.9297 0.9834 0.9992 0.9249 1.0077 1.0064 1.0076 1.0064 0 11 0 13 1 11 2 22 3 23 4 13 4 22 4 23 5 6 5 7 5 8 5 9 6 7 6 10 6 24 7 11 7 25 8 26 8 27 8 28 9 29 9 30 9 31 10 12 10 32 12 14 12 15 13 33 13 34 14 35 14 36 14 37 15 38 15 39 15 40 16 17 16 18 16 22 17 19 17 23 18 20 18 41 18 42 19 21 19 43 19 44 20 21 20 45 20 46 21 47 21 48 -0.022999133 -1094.901494431293 -16.36156 17.77046 1.40889 -14.63853 13.13079 -1.50775 0.42615 -0.63807 -0.21192 2.07441 5.27273