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:-.6104,1.1773,1.5071;-.4703,-1.0218,1.1302;1.4659,2.6606,-.2046;2.4851,-1.1208,2.1061;1.7138,.875,1.2301;-2.2481,.1758,-1.3003;-2.9313,-.9036,-.5231;-2.2917,.2398,.2201;-.949,-.1398,-2.0017;-3.0768,1.2129,-2.0165;-4.4087,-1.0699,-.5299;-1.0541,.0242,.9903;-5.1395,-1.471,.5135;.6592,1.1821,2.144;-6.6245,-1.6402,.4085;-4.5559,-1.7848,1.8566;3.0311,.8688,-.6606;3.3244,-.2403,.0188;3.6393,1.2625,-1.9552;4.3279,-1.253,-.3899;4.3785,.0645,-2.5553;5.203,-.6832,-1.5082;1.9925,1.6172,.0898;2.4881,-.2815,1.2443;-2.369,-1.8331,-.4647;-2.9471,1.0044,.6245;-.324,.752,-2.0889;-.3663,-.9118,-1.5005;-1.1505,-.4964,-3.014;-2.5091,2.1378,-2.137;-3.3546,.8662,-3.0143;-3.9946,1.4588,-1.4818;-4.9164,-.8791,-1.4717;.7,.4784,2.9755;.7716,2.1914,2.5327;-6.9205,-2.669,.6304;-7.1431,-1.0076,1.1341;-6.9992,-1.3899,-.5841;-4.9629,-1.1175,2.6217;-4.8225,-2.7997,2.1636;-3.4705,-1.7051,1.8862;2.8702,1.6291,-2.6396;4.3241,2.1016,-1.7954;4.9353,-1.5556,.4666;3.8103,-2.1582,-.7241;3.6504,-.6209,-2.9988;5.0234,.4027,-3.3677;5.9418,-.0025,-1.0756;5.7636,-1.4914,-1.9803; 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 2148.3774466955 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 1.238e-05 Time for diagonalization 0.562 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.485 sec Total time needed 1.053 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:-.6104,1.1773,1.5071;-.4703,-1.0218,1.1302;1.4659,2.6606,-.2046;2.4851,-1.1208,2.1061;1.7138,.875,1.2301;-2.2481,.1758,-1.3003;-2.9313,-.9036,-.5231;-2.2917,.2398,.2201;-.949,-.1398,-2.0017;-3.0768,1.2129,-2.0165;-4.4087,-1.0699,-.5299;-1.0541,.0242,.9903;-5.1395,-1.471,.5135;.6592,1.1821,2.144;-6.6244,-1.6402,.4085;-4.5559,-1.7848,1.8566;3.0311,.8688,-.6606;3.3244,-.2403,.0188;3.6393,1.2625,-1.9552;4.3279,-1.253,-.3899;4.3785,.0645,-2.5553;5.203,-.6832,-1.5082;1.9925,1.6172,.0898;2.4881,-.2815,1.2443;-2.369,-1.8331,-.4647;-2.9471,1.0044,.6245;-.324,.752,-2.0889;-.3663,-.9118,-1.5005;-1.1505,-.4964,-3.014;-2.5091,2.1378,-2.137;-3.3546,.8662,-3.0143;-3.9946,1.4588,-1.4818;-4.9164,-.8791,-1.4717;.7,.4784,2.9755;.7716,2.1914,2.5327;-6.9205,-2.669,.6304;-7.1431,-1.0076,1.1341;-6.9992,-1.3899,-.5841;-4.9629,-1.1175,2.6217;-4.8225,-2.7997,2.1636;-3.4705,-1.7051,1.8862;2.8702,1.6291,-2.6396;4.3241,2.1016,-1.7954;4.9353,-1.5556,.4666;3.8103,-2.1582,-.7241;3.6504,-.6209,-2.9988;5.0234,.4027,-3.3677;5.9418,-.0025,-1.0756;5.7636,-1.4914,-1.9803; 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:-.6104,1.1773,1.5071;-.4703,-1.0218,1.1302;1.4659,2.6606,-.2046;2.4851,-1.1208,2.1061;1.7138,.875,1.2301;-2.2481,.1758,-1.3003;-2.9313,-.9036,-.5231;-2.2917,.2398,.2201;-.949,-.1398,-2.0017;-3.0768,1.2129,-2.0165;-4.4087,-1.0699,-.5299;-1.0541,.0242,.9903;-5.1395,-1.471,.5135;.6592,1.1821,2.144;-6.6245,-1.6402,.4085;-4.5559,-1.7848,1.8566;3.0311,.8688,-.6606;3.3244,-.2403,.0188;3.6393,1.2625,-1.9552;4.3279,-1.253,-.3899;4.3785,.0645,-2.5553;5.203,-.6832,-1.5082;1.9925,1.6172,.0898;2.4881,-.2815,1.2443;-2.369,-1.8331,-.4647;-2.9471,1.0044,.6245;-.324,.752,-2.0889;-.3663,-.9118,-1.5005;-1.1505,-.4964,-3.014;-2.5091,2.1378,-2.137;-3.3546,.8662,-3.0143;-3.9946,1.4588,-1.4818;-4.9164,-.8791,-1.4717;.7,.4784,2.9755;.7716,2.1914,2.5327;-6.9205,-2.669,.6304;-7.1431,-1.0076,1.1341;-6.9992,-1.3899,-.5841;-4.9629,-1.1175,2.6217;-4.8225,-2.7997,2.1636;-3.4705,-1.7051,1.8862;2.8702,1.6291,-2.6396;4.3241,2.1016,-1.7954;4.9353,-1.5556,.4666;3.8103,-2.1582,-.7241;3.6504,-.6209,-2.9988;5.0234,.4027,-3.3677;5.9418,-.0025,-1.0756;5.7636,-1.4914,-1.9803; 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 2897 GEPOL Volume 2303.2109 GEPOL Surface-area 1348.3749 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1094.87750447 2148.37744670 -3243.25495117 -5759.26667306 2516.01172189 -0.03181085 -2184.91545255 1090.03794808 2.00443981 88.999975176419 88.999975176419 177.999950352837 -105.970325230281 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 -524.8398 -523.5571 -523.5289 -523.1689 -393.8940 -283.4234 -283.2876 -283.2770 -282.3881 -280.4337 -280.4096 -280.2860 -279.9370 -279.8160 -279.7731 -279.7608 -279.7444 -279.4705 -279.4643 -279.2415 -279.1883 -279.1862 -279.1569 -279.1447 -33.8961 -32.8175 -32.3269 -31.2736 -29.6988 -27.3709 -26.7800 -25.1461 -24.8680 -23.8618 -23.4447 -22.9886 -22.0610 -21.7777 -21.7543 -21.2768 -20.9849 -20.0765 -19.7406 -18.9108 -18.1659 -18.0199 -17.5799 -17.1223 -17.0303 -16.5694 -16.4031 -16.0852 -15.8612 -15.7122 -15.4299 -15.0969 -15.0454 -15.0195 -14.6220 -14.5528 -14.4510 -14.3309 -14.1566 -13.9739 -13.8864 -13.7989 -13.5398 -13.5099 -13.1729 -13.0755 -12.8883 -12.8725 -12.7797 -12.4059 -12.3124 -12.0323 -11.7947 -11.6291 -11.5247 -11.4494 -11.4213 -10.8906 -10.7585 -10.6635 -10.3383 -10.1870 -9.9482 -9.5768 -8.6906 -0.3676 2.0019 2.6539 2.8900 3.2101 3.3498 3.7517 3.9270 4.1160 4.1626 4.2869 4.3470 4.4365 4.6192 4.7609 4.8599 4.9392 5.0592 5.1834 5.3330 5.3649 5.5167 5.6033 5.6358 5.7026 5.9289 5.9952 6.1213 6.1985 6.2766 6.4119 6.5479 6.6275 6.7302 6.7449 6.8285 6.9153 6.9303 7.2495 7.3466 7.4498 7.6067 7.6621 7.6858 7.7376 7.9768 8.0299 8.0758 8.1596 8.2529 8.5501 8.8082 8.8620 9.0069 9.1249 9.2603 9.3330 9.4859 9.5155 9.7613 9.9769 9.9993 10.1749 10.3034 10.4389 10.5282 10.6893 10.8004 10.8415 10.8667 10.9580 10.9978 11.1690 11.2982 11.4354 11.7483 11.9139 12.0073 12.0671 12.2832 12.3391 12.4887 12.6124 12.7142 12.7693 12.8986 12.9869 13.2767 13.3016 13.3983 13.4830 13.5226 13.5603 13.7394 13.7732 13.8914 14.0447 14.0824 14.2011 14.2214 14.3004 14.3601 14.4828 14.5095 14.5854 14.6185 14.7292 14.8678 14.9255 14.9867 15.0348 15.1015 15.2495 15.3250 15.4494 15.4650 15.5216 15.5442 15.5793 15.6604 15.7349 15.8201 15.9280 16.1766 16.2666 16.5025 16.5987 16.6449 16.8161 16.8816 17.1316 17.2577 17.3281 17.4901 17.5622 17.6450 17.7057 17.8834 17.9725 18.0727 18.2718 18.3455 18.6019 18.8635 18.9827 19.1623 19.1976 19.4650 19.5082 19.6172 19.6575 19.8569 20.0183 20.2787 20.4418 20.6345 20.8868 21.0014 21.1060 21.3996 21.5293 21.8037 22.0110 22.0576 22.2097 22.3907 22.5338 22.6613 22.8621 23.0398 23.1506 23.2700 23.4646 23.6226 23.7938 24.0110 24.1260 24.2291 24.3064 24.4041 24.5334 24.8843 25.0560 25.3555 25.3967 25.5602 25.7439 25.8265 25.9871 26.1426 26.2832 26.4190 26.5059 26.8420 26.8747 27.1024 27.1822 27.4985 27.6270 27.9207 28.1726 28.3126 28.3311 28.4397 28.6366 28.6860 28.8150 28.8946 29.1400 29.2820 29.3438 29.4115 29.4822 29.6304 29.7719 29.9894 30.2288 30.3000 30.3463 30.4036 30.5184 30.6087 30.7469 30.8342 31.0875 31.1806 31.4519 31.5619 31.7211 31.8106 31.9971 32.0459 32.1222 32.2755 32.3952 32.5383 32.7541 32.8093 33.0677 33.2057 33.3287 33.4353 33.4949 33.5915 33.6849 33.7251 33.8142 33.9025 33.9957 34.1701 34.3124 34.4385 34.6013 34.8689 34.9569 35.1163 35.1863 35.3784 35.4570 35.6744 35.9232 36.0771 36.1555 36.3387 36.4157 36.6865 36.8152 36.8585 37.0659 37.3244 37.4034 37.6644 37.8350 37.9330 38.0319 38.1805 38.4384 38.5654 38.6928 38.8642 39.0173 39.1231 39.2689 39.5655 39.5951 39.7401 39.9342 40.1354 40.1830 40.3330 40.5423 40.6168 40.7341 40.9437 41.1224 41.3014 41.3837 41.4520 41.8431 41.8942 42.0877 42.1409 42.3259 42.4433 42.5188 42.5931 42.6890 42.8014 42.9640 43.0928 43.1089 43.2210 43.3958 43.5064 43.6195 43.7345 43.9043 44.0680 44.2614 44.3070 44.4948 44.5524 44.7147 44.7805 44.8018 45.0233 45.0604 45.4110 45.6015 45.7055 45.8730 46.0632 46.1590 46.2780 46.5111 46.7360 46.7998 46.9411 47.0292 47.1504 47.2526 47.4355 47.5129 47.6277 48.0167 48.0324 48.1797 48.2680 48.4783 48.5109 48.6068 48.9340 49.0938 49.1667 49.6263 49.8923 50.1381 50.2021 50.5059 50.6207 50.8978 51.3016 51.4500 51.6912 51.7807 52.1057 52.3103 52.4926 52.7369 53.1830 53.5863 53.7186 54.1450 54.2141 54.5251 54.7855 54.9383 55.2832 55.4932 55.8634 56.2154 56.3650 56.5798 57.0014 57.0369 57.3577 57.7500 57.8840 58.1040 58.6758 58.7790 59.0867 59.2425 59.5692 59.6547 60.2003 60.3122 60.5994 60.6950 60.9321 61.2803 61.5143 61.7160 61.9932 62.1312 62.4143 62.5410 62.6593 63.0085 63.1408 63.3130 63.8752 63.9199 64.1146 64.6765 64.8619 65.0568 65.2705 65.6372 66.3196 66.4476 66.8522 66.9869 67.5560 67.6941 67.8353 68.2023 68.2541 68.6451 68.8354 69.2608 69.3996 69.6863 70.0642 70.1535 70.5107 70.6295 70.8288 71.0230 71.2464 71.2872 71.6295 71.6578 71.9114 71.9493 72.2942 72.5989 72.8568 73.0895 73.3074 73.3503 73.6190 73.7255 73.9254 74.1531 74.2250 74.5148 74.8345 75.0556 75.2439 75.3232 75.3912 75.6504 75.7402 75.7892 76.2471 76.4700 76.7388 76.9154 77.0448 77.1453 77.3403 77.7625 77.9294 78.0384 78.2890 78.5443 78.5988 78.7815 78.7960 78.9608 79.3080 79.3413 79.4698 79.5038 79.6822 79.8850 79.9132 80.0737 80.4356 80.6608 80.7550 80.8466 81.0361 81.1379 81.1776 81.3057 81.4312 81.5989 81.7054 81.8531 81.9338 82.1876 82.2867 82.6862 82.7479 82.9016 83.0403 83.1531 83.2090 83.5679 83.7056 83.7384 83.8434 83.9717 84.1811 84.1927 84.5849 84.7261 84.7874 84.8575 85.0817 85.1447 85.2625 85.4270 85.5326 85.6464 85.7379 85.9152 86.1165 86.2647 86.3739 86.4598 86.6545 86.7920 86.9339 86.9788 87.1220 87.2327 87.3071 87.5267 87.6044 87.8166 87.8998 88.0087 88.1927 88.2854 88.4497 88.5802 88.7192 88.8484 89.1059 89.1316 89.3730 89.5843 89.6551 89.7563 89.8894 89.9977 90.2977 90.4654 90.4746 90.6752 90.8982 90.9213 91.0443 91.1360 91.1987 91.3591 91.4052 91.6810 91.8098 92.0085 92.1493 92.3498 92.4183 92.5868 92.6560 92.7006 93.0734 93.1675 93.2520 93.3539 93.3663 93.5559 93.8495 93.9523 94.3106 94.4601 94.5464 94.6337 94.7821 94.8658 94.9875 95.0100 95.2299 95.3555 95.4406 95.4841 95.6295 95.8078 95.8484 96.2894 96.4350 96.5300 96.6911 96.7584 96.9314 97.0074 97.1627 97.2135 97.4578 97.6026 97.7184 97.8989 98.0787 98.3281 98.3738 98.4166 98.6538 98.8140 99.0483 99.2008 99.4638 99.6161 99.7887 99.8122 99.9390 99.9834 100.1009 100.2384 100.4063 100.6602 100.7689 100.8584 100.9539 101.3399 101.3898 101.4624 101.6478 101.8676 102.1702 102.1888 102.2729 102.3416 102.6186 102.8253 103.2317 103.3436 103.4058 103.5817 103.7207 103.8982 104.1033 104.1653 104.2668 104.4875 104.6822 104.8334 105.1003 105.2246 105.4798 105.5963 105.8706 106.1724 106.1989 106.4068 106.5460 106.8630 106.9312 107.1745 107.2969 107.5421 107.6700 107.8655 108.3107 108.3789 108.4915 108.5969 108.7475 108.9307 109.0348 109.1562 109.3770 109.6077 109.7039 109.7208 110.0899 110.2442 110.3790 110.5623 110.6273 110.6935 111.0123 111.0638 111.1206 111.3549 111.4720 111.6945 111.7940 111.9368 112.0003 112.3052 112.3455 112.4112 112.8197 112.9200 113.0786 113.1736 113.3693 113.6289 113.6863 113.8163 113.9396 114.0302 114.2532 114.3317 114.6019 114.7223 114.8437 114.8902 115.0941 115.1648 115.3089 115.4142 115.5491 115.5620 115.7861 115.9109 116.0517 116.2323 116.4675 116.5564 116.7039 116.7607 117.0768 117.1363 117.2454 117.2854 117.4711 117.6321 117.8319 117.9658 118.0564 118.3223 118.3657 118.4796 118.6612 118.7459 119.0443 119.3275 119.3791 119.4590 119.6634 120.2447 120.3038 120.4017 120.5913 120.7003 121.0740 121.3205 121.4430 121.6671 121.9728 122.1717 122.2667 122.4268 122.6164 122.9748 123.0390 123.0721 123.7645 124.0173 124.1234 124.3247 124.4023 124.7923 125.0479 125.1612 125.3203 125.3330 125.8042 125.9894 126.2844 126.3166 126.7179 126.7826 126.9327 127.0289 127.6220 127.9103 128.1403 128.2490 128.4898 128.6692 128.9975 129.1826 129.4140 129.6557 129.8256 130.0223 130.1103 130.4143 130.4620 130.5773 130.6218 130.9972 131.1538 131.5025 131.6933 131.7582 131.9902 132.2341 132.4507 132.6876 133.3954 133.5736 133.7942 133.9946 134.2201 134.2845 134.6142 134.6849 134.9631 135.0970 135.4494 135.5484 135.7559 135.8893 136.2937 136.8913 136.9650 137.8113 137.9012 138.1404 138.4828 138.5850 138.8518 139.1624 139.3835 139.5635 139.8048 139.8475 140.1325 140.5200 140.7573 140.8599 141.1064 141.2748 141.5234 141.6576 142.0380 142.2905 142.6009 142.7894 143.0576 143.2203 143.3437 143.5076 143.7450 143.8508 144.2089 144.5076 144.5848 144.7847 144.9108 145.1012 145.3648 145.5386 145.6174 145.7287 145.9223 146.2667 146.4068 146.5663 146.8212 146.9758 147.2829 147.3939 147.7824 148.1181 148.2430 148.4752 148.5442 148.8064 148.9752 149.1105 149.2953 149.7434 149.8907 149.9970 150.1681 150.1911 150.3362 150.5263 150.6351 150.7142 151.0315 151.2188 151.2860 151.3208 151.4620 151.4872 152.5113 152.5733 152.6861 152.8995 153.1545 153.2454 153.5785 154.0413 154.3843 154.5743 154.7831 154.8212 155.1033 155.3724 155.6611 155.8897 155.9135 156.4773 156.5721 156.7298 156.7974 157.5459 157.6278 157.8082 157.9305 157.9994 158.0881 159.0051 159.3408 159.3905 159.5441 159.8120 159.9968 160.1522 160.4315 160.5525 160.7024 161.2963 161.4656 161.9146 163.1852 164.6229 165.7916 166.1734 167.0410 169.0360 169.9980 171.7553 171.8573 172.6813 173.6170 175.7113 175.8600 176.1331 176.5756 178.3557 179.5716 180.4789 181.9386 182.0070 182.2086 186.0429 186.9714 187.7267 187.9098 188.5643 189.4691 191.9540 192.5481 193.2081 195.7103 196.4761 196.6759 196.7615 199.2063 199.5494 204.4416 206.3812 618.6400 621.2812 626.4355 631.5673 636.0426 638.8661 639.8570 640.1751 641.1995 642.4233 642.6259 643.4753 643.9667 644.9669 647.0468 648.4903 650.1664 650.6746 651.5546 902.6906 1199.7266 1201.0994 1202.6972 1210.3711 -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 -0.275376 -0.450240 -0.409159 -0.401741 -0.094918 0.166865 -0.018191 -0.133216 -0.283070 -0.290950 -0.293287 0.390488 -0.020746 0.083402 -0.228747 -0.235062 -0.084731 -0.045133 -0.080023 -0.070962 -0.133818 -0.137636 0.295543 0.306168 0.104806 0.100943 0.092169 0.091758 0.104232 0.098630 0.098334 0.093404 0.121866 0.132734 0.143634 0.095426 0.093744 0.089105 0.097224 0.099114 0.078206 0.093161 0.102417 0.093605 0.101978 0.078529 0.080582 0.077858 0.081079 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 8.2754 8.4502 8.4092 8.4017 7.0949 5.8331 6.0182 6.1332 6.2831 6.2909 6.2933 5.6095 6.0207 5.9166 6.2287 6.2351 6.0847 6.0451 6.0800 6.0710 6.1338 6.1376 5.7045 5.6938 0.8952 0.8991 0.9078 0.9082 0.8958 0.9014 0.9017 0.9066 0.8781 0.8673 0.8564 0.9046 0.9063 0.9109 0.9028 0.9009 0.9218 0.9068 0.8976 0.9064 0.8980 0.9215 0.9194 0.9221 0.9189 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 -0.2754 -0.4502 -0.4092 -0.4017 -0.0949 0.1669 -0.0182 -0.1332 -0.2831 -0.2909 -0.2933 0.3905 -0.0207 0.0834 -0.2287 -0.2351 -0.0847 -0.0451 -0.0800 -0.0710 -0.1338 -0.1376 0.2955 0.3062 0.1048 0.1009 0.0922 0.0918 0.1042 0.0986 0.0983 0.0934 0.1219 0.1327 0.1436 0.0954 0.0937 0.0891 0.0972 0.0991 0.0782 0.0932 0.1024 0.0936 0.1020 0.0785 0.0806 0.0779 0.0811 2.1192 2.0511 2.1009 2.1141 3.0655 3.7099 3.8264 3.8059 3.8920 3.9013 3.8871 4.1892 3.7166 3.8903 3.9307 3.9310 3.6857 3.6294 3.9222 3.9129 3.9126 3.9172 4.1975 4.2184 1.0240 1.0276 1.0060 1.0127 1.0023 1.0032 0.9997 1.0019 1.0029 1.0151 0.9926 0.9962 0.9967 1.0063 0.9989 1.0001 1.0208 1.0148 1.0047 1.0159 1.0051 1.0072 1.0094 1.0063 1.0094 2.1192 2.0511 2.1009 2.1141 3.0655 3.7099 3.8264 3.8059 3.8920 3.9013 3.8871 4.1892 3.7166 3.8903 3.9307 3.9310 3.6857 3.6294 3.9222 3.9129 3.9126 3.9172 4.1975 4.2184 1.0240 1.0276 1.0060 1.0127 1.0023 1.0032 0.9997 1.0019 1.0029 1.0151 0.9926 0.9962 0.9967 1.0063 0.9989 1.0001 1.0208 1.0148 1.0047 1.0159 1.0051 1.0072 1.0094 1.0063 1.0094 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1643 0.8986 1.9098 2.0295 2.0504 0.9146 1.0967 1.1217 0.9547 0.8561 0.9395 0.9221 0.9392 0.9467 0.9971 0.9966 1.0083 0.9972 0.9840 0.9892 0.9904 0.9956 0.9931 1.8658 0.9954 0.9635 0.9614 0.9852 0.9729 0.9819 0.9807 0.9986 0.9837 0.9847 0.9989 1.7286 0.9820 0.9545 0.9789 0.9371 0.9295 1.0004 0.9827 0.9288 0.9994 0.9837 0.9254 1.0069 1.0074 1.0060 1.0075 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 -0.025456561 -1094.902961032885 -17.29829 17.74063 0.44234 -6.96134 7.33127 0.36993 -14.48904 13.31261 -1.17643 1.31015 3.33014