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:1.059,-1.4315,-1.5302;.5423,.7014,-1.1088;-.5347,-3.0022,.5153;-2.4451,.2436,-2.0306;-1.2601,-1.4885,-1.064;2.7876,-.0235,1.0904;3.3238,1.022,.1691;2.6618,-.2085,-.4172;3.7681,-.942,1.7774;1.554,.2574,1.913;2.7649,2.399,.1242;1.3302,-.2082,-1.0456;2.7066,3.1838,-.9532;-.2388,-1.6835,-2.0463;2.1841,4.5854,-.8673;3.1244,2.7417,-2.3204;-2.3562,-1.472,.9619;-2.8976,-.5031,.2234;-2.7691,-1.8274,2.3411;-3.9907,.3969,.6639;-4.1113,-1.1646,2.6574;-4.1585,.2866,2.1807;-1.2769,-2.1166,.174;-2.217,-.4776,-1.0954;4.4033,.985,.038;3.3325,-.9513,-.8351;4.6562,-1.1175,1.1688;4.097,-.5127,2.7265;3.3147,-1.9119,1.9924;.8418,.9217,1.428;1.0331,-.6733,2.1495;1.8357,.7212,2.8607;2.4325,2.809,1.0743;-.2116,-2.7213,-2.37;-.4607,-1.0527,-2.9073;1.3071,4.7159,-1.5072;1.901,4.8576,.1496;2.9288,5.307,-1.2142;3.4835,1.7141,-2.3495;2.2909,2.8261,-3.0236;3.9195,3.3835,-2.7106;-2.8317,-2.9124,2.4537;-1.9968,-1.4968,3.0438;-3.7764,1.427,.369;-4.9174,.1229,.149;-4.9136,-1.7298,2.1744;-4.2987,-1.2125,3.7311;-3.3634,.8551,2.6721;-5.1012,.7483,2.4783; 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 2193.1070221385 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 1.198e-05 Time for diagonalization 0.427 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.272 sec Total time needed 0.709 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:1.059,-1.4315,-1.5302;.5423,.7014,-1.1088;-.5347,-3.0022,.5153;-2.4451,.2436,-2.0306;-1.2601,-1.4885,-1.064;2.7876,-.0235,1.0904;3.3238,1.022,.1691;2.6618,-.2085,-.4172;3.7681,-.942,1.7774;1.554,.2574,1.913;2.7649,2.399,.1242;1.3302,-.2082,-1.0456;2.7066,3.1838,-.9532;-.2388,-1.6835,-2.0463;2.1841,4.5854,-.8673;3.1244,2.7417,-2.3204;-2.3562,-1.472,.9619;-2.8976,-.5031,.2234;-2.7691,-1.8274,2.3411;-3.9907,.3969,.6639;-4.1113,-1.1646,2.6574;-4.1585,.2866,2.1807;-1.2769,-2.1166,.174;-2.217,-.4776,-1.0954;4.4033,.985,.038;3.3325,-.9513,-.8351;4.6562,-1.1175,1.1688;4.097,-.5127,2.7265;3.3147,-1.9119,1.9924;.8418,.9217,1.428;1.0331,-.6733,2.1495;1.8357,.7212,2.8607;2.4325,2.809,1.0743;-.2116,-2.7213,-2.37;-.4607,-1.0527,-2.9073;1.3071,4.7159,-1.5072;1.901,4.8576,.1496;2.9288,5.307,-1.2142;3.4835,1.7141,-2.3495;2.2909,2.8261,-3.0236;3.9195,3.3835,-2.7106;-2.8317,-2.9124,2.4537;-1.9968,-1.4968,3.0438;-3.7764,1.427,.369;-4.9174,.1229,.149;-4.9136,-1.7298,2.1744;-4.2987,-1.2125,3.7311;-3.3634,.8551,2.6721;-5.1012,.7483,2.4783; 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:1.059,-1.4315,-1.5302;.5423,.7014,-1.1088;-.5347,-3.0022,.5153;-2.4451,.2436,-2.0306;-1.2601,-1.4885,-1.064;2.7876,-.0235,1.0904;3.3238,1.022,.1691;2.6618,-.2085,-.4172;3.7681,-.942,1.7774;1.554,.2574,1.913;2.7649,2.399,.1242;1.3302,-.2082,-1.0456;2.7066,3.1838,-.9532;-.2388,-1.6835,-2.0463;2.1841,4.5854,-.8673;3.1244,2.7417,-2.3204;-2.3562,-1.472,.9619;-2.8976,-.5031,.2234;-2.7691,-1.8274,2.3411;-3.9907,.3969,.6639;-4.1113,-1.1646,2.6574;-4.1585,.2866,2.1807;-1.2769,-2.1166,.174;-2.217,-.4776,-1.0954;4.4033,.985,.038;3.3325,-.9513,-.8351;4.6562,-1.1175,1.1688;4.097,-.5127,2.7265;3.3147,-1.9119,1.9924;.8418,.9217,1.428;1.0331,-.6733,2.1495;1.8357,.7212,2.8607;2.4325,2.809,1.0743;-.2116,-2.7213,-2.37;-.4607,-1.0527,-2.9073;1.3071,4.7159,-1.5072;1.901,4.8576,.1496;2.9288,5.307,-1.2142;3.4835,1.7141,-2.3495;2.2909,2.8261,-3.0236;3.9195,3.3835,-2.7106;-2.8317,-2.9124,2.4537;-1.9968,-1.4968,3.0438;-3.7764,1.427,.369;-4.9174,.1229,.149;-4.9136,-1.7298,2.1744;-4.2987,-1.2125,3.7311;-3.3634,.8551,2.6721;-5.1012,.7483,2.4783; 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 2889 GEPOL Volume 2304.3548 GEPOL Surface-area 1340.6609 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1094.87339318 2193.10702214 -3287.98041532 -5849.27237353 2561.29195821 -0.03269746 -2184.91387971 1090.04048653 2.00443369 88.999924062964 88.999924062964 177.999848125928 -105.971523884374 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 -524.7775 -523.5383 -523.5218 -523.0992 -393.8591 -283.4067 -283.2659 -283.2616 -282.3631 -280.4197 -280.3957 -280.2769 -279.9758 -279.8890 -279.7656 -279.7519 -279.6604 -279.4654 -279.4584 -279.1933 -279.1851 -279.1819 -279.1169 -279.1159 -33.8400 -32.7995 -32.3198 -31.2185 -29.6766 -27.3350 -26.7671 -25.1032 -24.8495 -23.8563 -23.4433 -22.9534 -22.0211 -21.7971 -21.7393 -21.2569 -20.9871 -20.1083 -19.7291 -18.9198 -18.1288 -17.9631 -17.5317 -17.1660 -16.9171 -16.4944 -16.3624 -16.0459 -15.8753 -15.5120 -15.3158 -15.2387 -15.0491 -14.9928 -14.6418 -14.6090 -14.4431 -14.2580 -14.1832 -13.9719 -13.8765 -13.8072 -13.6797 -13.5018 -13.0664 -13.0305 -12.8893 -12.8447 -12.7526 -12.4067 -12.2858 -11.9973 -11.7600 -11.6247 -11.4624 -11.4363 -11.4056 -10.9094 -10.7493 -10.6473 -10.2902 -10.1673 -9.9020 -9.5375 -8.5996 -0.3524 2.0452 2.6304 2.9132 3.2378 3.3923 3.6943 3.9182 4.0290 4.1763 4.2686 4.3155 4.6052 4.7218 4.7928 4.8905 4.9720 5.1088 5.1340 5.3457 5.4591 5.5438 5.6033 5.6685 5.6919 5.8297 5.9895 6.0785 6.2293 6.3863 6.4256 6.5418 6.6097 6.7038 6.8219 6.8928 6.9267 7.1214 7.1432 7.3593 7.4255 7.4813 7.6385 7.7055 7.7912 7.9371 8.0840 8.1760 8.2453 8.3589 8.3828 8.5003 8.7795 9.1696 9.2677 9.3040 9.4944 9.5299 9.6806 9.8092 9.9265 10.0715 10.1663 10.2690 10.4158 10.4716 10.5259 10.6933 10.8125 10.8953 10.9625 11.0852 11.3173 11.3649 11.5247 11.6885 11.8119 11.9977 12.0557 12.1684 12.2610 12.3973 12.6621 12.7793 12.9286 13.0873 13.1754 13.2732 13.3199 13.4017 13.4403 13.5365 13.5955 13.6772 13.7657 13.8938 13.9339 14.0906 14.1626 14.2221 14.2476 14.3797 14.4347 14.5134 14.5380 14.6303 14.7278 14.8729 15.0043 15.0920 15.1947 15.2528 15.2951 15.3756 15.4431 15.4905 15.5010 15.6468 15.6695 15.7121 15.8228 15.8799 16.0017 16.0969 16.1429 16.3511 16.4325 16.6750 16.8089 17.0606 17.1346 17.2294 17.2849 17.3878 17.4657 17.6437 17.6953 17.7732 17.9573 18.1890 18.3247 18.3996 18.5934 18.7769 18.8985 19.1701 19.3423 19.4773 19.5668 19.6653 19.7530 19.9136 20.1978 20.2830 20.4167 20.6280 20.7961 21.0450 21.2408 21.4859 21.6694 21.8333 22.0285 22.2507 22.4033 22.5275 22.6120 22.7684 22.8170 23.0160 23.3211 23.4336 23.7635 23.8539 23.9325 24.0549 24.1483 24.2671 24.4490 24.6523 24.8321 24.9655 25.1171 25.3832 25.4661 25.6176 25.7327 25.7855 25.8468 25.9563 26.3395 26.5242 26.6785 26.8888 26.9783 27.1034 27.2990 27.5381 27.9191 28.0843 28.2070 28.2808 28.3929 28.4807 28.5984 28.7762 28.8608 29.0982 29.1794 29.3140 29.4599 29.4753 29.6006 29.8158 29.9140 30.1087 30.1971 30.3060 30.4579 30.4842 30.5337 30.5520 30.8053 30.9874 31.1791 31.2403 31.3458 31.6095 31.6990 31.8287 31.9264 32.0435 32.1233 32.2626 32.3606 32.5357 32.6544 32.8633 33.0245 33.0825 33.2756 33.4383 33.5122 33.6534 33.7641 33.7767 33.9455 34.0051 34.1156 34.2581 34.3833 34.6264 34.7008 34.8597 34.9983 35.2392 35.3141 35.4862 35.6212 35.8446 36.0284 36.1691 36.2578 36.4204 36.5637 36.8554 36.9597 37.0172 37.2127 37.3849 37.5451 37.5988 37.8017 38.0128 38.1284 38.2969 38.3769 38.6762 38.7475 39.0593 39.1428 39.3541 39.4294 39.5583 39.7202 40.0015 40.1308 40.2249 40.2749 40.5030 40.5517 40.6237 40.7769 40.9343 41.0736 41.1292 41.4939 41.6012 41.6413 41.8815 41.9987 42.0497 42.1985 42.3855 42.5827 42.6579 42.8118 42.9039 42.9175 43.0048 43.2169 43.2452 43.4010 43.4661 43.5559 43.7877 43.8232 44.0059 44.1335 44.2622 44.4007 44.4649 44.7188 44.7647 44.9541 45.1067 45.2045 45.5298 45.6597 45.8347 46.0121 46.2402 46.4713 46.5505 46.5809 46.7305 46.8318 46.8807 47.0177 47.1559 47.3121 47.4634 47.5680 47.6347 47.8132 47.9430 48.0194 48.2153 48.4760 48.9414 49.0522 49.1969 49.4304 49.5930 49.7248 50.0679 50.2153 50.3853 50.6675 50.7570 50.9313 51.2195 51.3685 51.6267 52.0407 52.2324 52.4789 52.7468 52.9067 53.1346 53.5041 53.6175 53.9245 54.0252 54.4730 54.6268 54.8920 55.4547 55.6601 55.8985 56.5737 56.7233 56.8179 57.1439 57.4496 57.6617 57.9975 58.1612 58.3490 58.5818 58.8158 59.1687 59.4781 59.6615 59.8669 60.1601 60.3340 60.5524 60.8867 61.1338 61.2480 61.5603 61.9035 62.0809 62.3017 62.4807 62.7644 63.0278 63.1478 63.2996 63.3809 63.5207 63.9448 64.1078 64.3161 64.6292 65.0477 65.4127 65.9215 66.0270 66.2755 66.6558 66.9507 67.3890 67.7901 67.9145 68.1024 68.3458 68.4572 68.9865 69.0512 69.1999 69.7949 70.0442 70.4939 70.6313 70.8049 70.9959 71.1155 71.4669 71.6294 71.7925 71.9564 72.1280 72.2721 72.6038 72.8725 72.9281 73.0958 73.3231 73.5487 73.7076 73.8770 73.9566 74.1998 74.5713 74.6578 74.8455 75.0731 75.1740 75.4121 75.4798 75.6171 75.8281 75.9570 76.1456 76.2889 76.4019 76.8898 77.1931 77.3778 77.5987 77.7665 77.7711 78.0398 78.2124 78.3776 78.5729 78.6922 78.8903 79.1552 79.2304 79.2985 79.5092 79.5892 79.7363 79.8847 80.1178 80.2555 80.5454 80.5555 80.7092 80.7956 81.0078 81.0731 81.2899 81.4815 81.5256 81.6021 81.7172 81.7805 81.9845 82.1165 82.2420 82.4558 82.7390 82.9557 83.0920 83.3042 83.3636 83.5325 83.6547 83.7839 83.8612 84.1035 84.2512 84.4166 84.5105 84.5971 84.7066 85.1229 85.2011 85.2747 85.3932 85.5028 85.5630 85.8490 85.9454 86.0225 86.0987 86.3120 86.4106 86.5483 86.6968 86.8199 86.9025 87.0164 87.0515 87.2470 87.4416 87.4871 87.7087 87.7620 87.9492 88.0162 88.0623 88.3929 88.5924 88.7192 88.7299 88.8308 89.0657 89.1266 89.1987 89.4850 89.6008 89.6653 90.0048 90.0788 90.2207 90.4524 90.5441 90.6362 90.7328 90.7686 90.9553 91.2029 91.3190 91.4256 91.5440 91.7835 91.9166 92.0032 92.1973 92.3911 92.5272 92.6294 92.7414 92.8902 93.0995 93.2483 93.4153 93.4416 93.5786 93.7893 94.0112 94.1352 94.2589 94.3940 94.6714 94.7468 94.7987 94.8716 94.9741 95.1996 95.2499 95.3022 95.5903 95.6095 95.7134 96.0076 96.0824 96.2575 96.4214 96.5457 96.6569 96.8821 97.0057 97.1281 97.1857 97.2076 97.4581 97.6880 97.7784 97.9869 98.0949 98.1773 98.5057 98.5617 98.7501 98.8628 98.9254 99.2031 99.5576 99.6295 99.7243 99.8074 99.9218 100.0234 100.0320 100.2637 100.4874 100.5210 100.7242 100.8438 101.0505 101.1765 101.5005 101.6763 101.8054 101.9226 102.2096 102.2776 102.4330 102.5626 102.6257 102.7972 102.9874 103.1812 103.2243 103.3281 103.7101 103.7629 103.9171 104.0868 104.1801 104.4370 104.5134 104.8518 104.9800 105.1121 105.5801 105.6169 105.9536 106.0171 106.1137 106.3142 106.6299 106.8977 107.0836 107.2447 107.3257 107.5031 107.6607 108.0245 108.1914 108.4286 108.5751 108.6338 108.7419 109.0692 109.1295 109.2000 109.5218 109.6203 109.7871 109.9419 110.0551 110.1572 110.2838 110.4857 110.6356 110.7088 110.8066 110.9286 111.1388 111.2368 111.4277 111.6209 111.8660 111.9031 112.0907 112.1575 112.5408 112.5888 112.7101 113.1178 113.1326 113.3950 113.6866 113.8599 113.8754 114.0082 114.0520 114.1345 114.3173 114.4588 114.4863 114.7638 114.8453 114.9562 115.0632 115.2221 115.2847 115.3334 115.5273 115.7142 115.8716 116.0496 116.0766 116.3251 116.4773 116.5342 116.7249 116.8179 116.9390 117.1071 117.3714 117.4541 117.4897 117.6523 117.8146 118.0128 118.1082 118.3521 118.4988 118.7053 118.8061 118.8854 119.1958 119.2665 119.4227 119.5435 119.7941 119.8679 120.4507 120.5233 120.7859 120.8973 120.9942 121.1091 121.4031 121.7763 122.0777 122.1125 122.2875 122.5040 122.5598 122.8246 123.0322 123.3653 123.7910 123.9111 124.1202 124.4249 124.4748 124.4997 124.6022 125.0948 125.3610 125.6697 125.7686 125.9913 126.2299 126.3658 126.5744 126.9513 126.9910 127.5124 127.6671 127.9057 127.9596 128.4187 128.4868 128.9051 129.0083 129.1907 129.3068 129.6501 129.9760 130.1281 130.2593 130.3834 130.5140 130.6485 130.8497 130.8517 131.1718 131.3444 131.6798 131.8067 132.2900 132.3613 132.6913 133.0178 133.3096 133.6035 133.8806 134.1511 134.2319 134.3782 134.4999 134.5802 134.6737 135.1019 135.4089 135.7645 136.0138 136.3092 136.5870 136.8486 137.0371 137.1115 137.7521 137.9862 138.0297 138.6354 138.8980 139.0608 139.2594 139.5035 139.5860 139.9758 140.0724 140.4320 140.6647 140.9065 141.0512 141.4111 141.5030 141.9078 142.0532 142.1182 142.5251 142.7428 142.7784 143.3013 143.3796 143.6218 143.7754 143.9430 144.2817 144.4707 144.5882 144.8320 144.9467 145.3229 145.4780 145.5895 145.7447 145.8848 145.9217 146.0475 146.3698 146.4077 146.8801 146.9133 147.1854 147.4358 147.8767 148.0563 148.1609 148.3086 148.4550 148.7917 149.1246 149.3968 149.4754 149.6774 149.7256 149.8579 150.0032 150.3226 150.4313 150.6016 150.7021 150.8733 151.0330 151.1265 151.1855 151.2980 151.4504 151.6433 152.1713 152.6597 152.6664 152.8113 153.1954 153.3099 153.7064 154.0080 154.3547 154.5632 154.8200 154.9141 155.0880 155.2318 155.5601 155.8678 155.9823 156.4626 156.6076 156.8496 156.9254 157.5630 157.6715 157.9011 157.9829 158.0147 158.0738 159.1537 159.2777 159.4184 159.5813 159.6330 159.9004 160.0580 160.3202 160.3910 160.5456 161.1242 161.4331 162.3557 163.2777 164.5416 165.7532 166.2567 167.0769 168.9602 170.0720 171.8570 171.9772 173.0799 173.6072 175.9174 176.0369 176.2416 176.7519 178.9167 179.6377 180.5116 181.9817 182.0693 182.5425 186.2267 187.0838 187.6934 187.9631 188.7206 189.9097 192.2999 192.6418 193.4651 195.6948 196.6788 196.7507 197.0339 199.1956 199.5873 204.6176 206.5043 618.5960 622.0976 626.3067 632.8474 636.2308 637.7711 639.8453 640.0563 641.2112 642.5137 642.7789 643.3590 643.7412 644.9401 647.0317 648.2880 650.3114 650.8779 651.5361 902.4531 1199.8237 1200.9377 1204.0444 1210.5652 -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 -0.279354 -0.446897 -0.410233 -0.401890 -0.100619 0.153626 -0.022413 -0.121851 -0.265761 -0.308898 -0.265999 0.382875 -0.023752 0.085295 -0.224638 -0.269575 -0.089212 -0.038406 -0.068873 -0.074981 -0.137827 -0.135605 0.300111 0.299796 0.115599 0.099248 0.086621 0.093513 0.096074 0.098548 0.093078 0.108344 0.120596 0.140986 0.132234 0.094730 0.087760 0.093648 0.093460 0.098294 0.105655 0.094291 0.099934 0.093691 0.099974 0.077996 0.081014 0.078880 0.080915 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 8.2794 8.4469 8.4102 8.4019 7.1006 5.8464 6.0224 6.1219 6.2658 6.3089 6.2660 5.6171 6.0238 5.9147 6.2246 6.2696 6.0892 6.0384 6.0689 6.0750 6.1378 6.1356 5.6999 5.7002 0.8844 0.9008 0.9134 0.9065 0.9039 0.9015 0.9069 0.8917 0.8794 0.8590 0.8678 0.9053 0.9122 0.9064 0.9065 0.9017 0.8943 0.9057 0.9001 0.9063 0.9000 0.9220 0.9190 0.9211 0.9191 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 -0.2794 -0.4469 -0.4102 -0.4019 -0.1006 0.1536 -0.0224 -0.1219 -0.2658 -0.3089 -0.2660 0.3829 -0.0238 0.0853 -0.2246 -0.2696 -0.0892 -0.0384 -0.0689 -0.0750 -0.1378 -0.1356 0.3001 0.2998 0.1156 0.0992 0.0866 0.0935 0.0961 0.0985 0.0931 0.1083 0.1206 0.1410 0.1322 0.0947 0.0878 0.0936 0.0935 0.0983 0.1057 0.0943 0.0999 0.0937 0.1000 0.0780 0.0810 0.0789 0.0809 2.1114 2.0443 2.0993 2.1148 3.0665 3.7320 3.8498 3.8142 3.8988 3.9059 3.8539 4.1259 3.7037 3.8999 3.9247 3.9488 3.7001 3.6271 3.9202 3.9141 3.9183 3.9142 4.1990 4.2161 1.0026 1.0289 1.0052 1.0015 1.0024 1.0105 1.0101 1.0000 1.0004 0.9917 1.0146 0.9966 1.0075 0.9966 1.0035 0.9987 1.0002 1.0154 1.0061 1.0157 1.0045 1.0062 1.0094 1.0070 1.0093 2.1114 2.0443 2.0993 2.1148 3.0665 3.7320 3.8498 3.8142 3.8988 3.9059 3.8539 4.1259 3.7037 3.8999 3.9247 3.9488 3.7001 3.6271 3.9202 3.9141 3.9183 3.9142 4.1990 4.2161 1.0026 1.0289 1.0052 1.0015 1.0024 1.0105 1.0101 1.0000 1.0004 0.9917 1.0146 0.9966 1.0075 0.9966 1.0035 0.9987 1.0002 1.0154 1.0061 1.0157 1.0045 1.0062 1.0094 1.0070 1.0093 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1482 0.9037 1.8823 2.0243 2.0541 0.9143 1.1009 1.1189 0.9664 0.8578 0.9406 0.9199 0.9451 0.9419 1.0098 0.9787 1.0202 0.9833 0.9918 0.9936 0.9959 0.9918 0.9904 1.8538 0.9958 0.9625 0.9623 0.9734 0.9847 0.9806 0.9996 0.9819 1.0031 0.9839 0.9833 1.7344 0.9781 0.9615 0.9789 0.9339 0.9283 1.0010 0.9827 0.9298 1.0012 0.9821 0.9257 1.0063 1.0071 1.0071 1.0070 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 -0.026102243 -1094.899495425495 9.50905 -9.77058 -0.26153 14.85010 -15.09198 -0.24189 12.90171 -11.70491 1.19680 1.24869 3.17393