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:1.0848,-1.6842,-1.1605;.6911,.513,-1.0632;-2.1398,.1859,-2.2994;-.9288,-2.9515,.7615;-1.2724,-1.5377,-1.0259;2.6117,.0096,1.4572;3.3347,.84,.4504;2.6344,-.4282,-.0024;3.4304,-.8364,2.4004;1.324,.5051,2.0672;2.9018,2.2172,.0977;1.391,-.4298,-.7912;3.0775,2.8079,-1.0857;-.149,-1.9165,-1.8244;2.6546,4.226,-1.3185;3.6665,2.1134,-2.2735;-2.9294,-.2617,-.0594;-2.5908,-1.194,.8316;-3.9593,.7846,.1492;-3.1971,-1.3533,2.1753;-4.3098,.8605,1.6365;-4.4817,-.5259,2.2563;-2.1013,-.4465,-1.277;-1.511,-2.0285,.2511;4.4146,.7087,.459;3.2783,-1.276,-.2081;4.3575,-1.1793,1.9391;3.6969,-.2664,3.2933;2.8733,-1.7178,2.7243;.7525,1.1623,1.4154;.681,-.3347,2.3407;1.5372,1.0621,2.982;2.4502,2.7977,.8977;-.1611,-2.9862,-2.0191;-.2027,-1.3855,-2.7749;2.2341,4.6827,-.4224;3.4958,4.8415,-1.6482;1.9017,4.2835,-2.1095;4.5316,2.6616,-2.656;3.9856,1.0941,-2.0622;2.9427,2.0737,-3.0923;-3.5999,1.749,-.2175;-4.8456,.5467,-.448;-3.3966,-2.4074,2.3825;-2.477,-1.0292,2.9341;-3.516,1.3969,2.1645;-5.2218,1.4445,1.7678;-5.2842,-1.0574,1.7369;-4.7918,-.4342,3.2982; 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 2191.4572494884 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 1.193e-05 Time for diagonalization 0.419 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.279 sec Total time needed 0.708 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:1.0848,-1.6842,-1.1605;.6911,.513,-1.0632;-2.1398,.1859,-2.2994;-.9288,-2.9515,.7615;-1.2724,-1.5377,-1.0259;2.6117,.0096,1.4572;3.3347,.84,.4504;2.6344,-.4282,-.0024;3.4304,-.8364,2.4004;1.324,.5051,2.0672;2.9018,2.2172,.0977;1.391,-.4298,-.7912;3.0775,2.8079,-1.0857;-.149,-1.9165,-1.8244;2.6546,4.226,-1.3185;3.6665,2.1134,-2.2735;-2.9294,-.2617,-.0594;-2.5908,-1.194,.8316;-3.9593,.7846,.1492;-3.1971,-1.3533,2.1753;-4.3098,.8605,1.6365;-4.4817,-.5259,2.2563;-2.1013,-.4465,-1.277;-1.511,-2.0285,.2511;4.4146,.7087,.459;3.2783,-1.276,-.2081;4.3575,-1.1793,1.9391;3.6969,-.2664,3.2933;2.8733,-1.7178,2.7243;.7525,1.1623,1.4154;.681,-.3347,2.3407;1.5372,1.0621,2.982;2.4502,2.7977,.8977;-.1611,-2.9862,-2.019;-.2027,-1.3855,-2.7749;2.2341,4.6827,-.4224;3.4958,4.8415,-1.6482;1.9017,4.2835,-2.1095;4.5316,2.6616,-2.656;3.9856,1.0941,-2.0622;2.9427,2.0737,-3.0923;-3.5999,1.749,-.2175;-4.8456,.5467,-.448;-3.3966,-2.4074,2.3825;-2.477,-1.0292,2.9341;-3.516,1.3969,2.1645;-5.2218,1.4445,1.7678;-5.2842,-1.0574,1.7369;-4.7918,-.4342,3.2982; 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:1.0848,-1.6842,-1.1605;.6911,.513,-1.0632;-2.1398,.1859,-2.2994;-.9288,-2.9515,.7615;-1.2724,-1.5377,-1.0259;2.6117,.0096,1.4572;3.3347,.84,.4504;2.6344,-.4282,-.0024;3.4304,-.8364,2.4004;1.324,.5051,2.0672;2.9018,2.2172,.0977;1.391,-.4298,-.7912;3.0775,2.8079,-1.0857;-.149,-1.9165,-1.8244;2.6546,4.226,-1.3185;3.6665,2.1134,-2.2735;-2.9294,-.2617,-.0594;-2.5908,-1.194,.8316;-3.9593,.7846,.1492;-3.1971,-1.3533,2.1753;-4.3098,.8605,1.6365;-4.4817,-.5259,2.2563;-2.1013,-.4465,-1.277;-1.511,-2.0285,.2511;4.4146,.7087,.459;3.2783,-1.276,-.2081;4.3575,-1.1793,1.9391;3.6969,-.2664,3.2933;2.8733,-1.7178,2.7243;.7525,1.1623,1.4154;.681,-.3347,2.3407;1.5372,1.0621,2.982;2.4502,2.7977,.8977;-.1611,-2.9862,-2.0191;-.2027,-1.3855,-2.7749;2.2341,4.6827,-.4224;3.4958,4.8415,-1.6482;1.9017,4.2835,-2.1095;4.5316,2.6616,-2.656;3.9856,1.0941,-2.0622;2.9427,2.0737,-3.0923;-3.5999,1.749,-.2175;-4.8456,.5467,-.448;-3.3966,-2.4074,2.3825;-2.477,-1.0292,2.9341;-3.516,1.3969,2.1645;-5.2218,1.4445,1.7678;-5.2842,-1.0574,1.7369;-4.7918,-.4342,3.2982; 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 2291.8285 GEPOL Surface-area 1330.5718 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1094.87380605 2191.45724949 -3286.33105554 -5845.94729724 2559.61624170 -0.03276587 -2184.92132328 1090.04751723 2.00442759 88.999975864326 88.999975864326 177.999951728653 -105.972969373681 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 -524.7748 -523.5385 -523.5134 -523.0851 -393.8514 -283.4018 -283.2609 -283.2555 -282.3603 -280.4189 -280.3948 -280.2815 -279.9750 -279.8971 -279.7628 -279.7488 -279.6536 -279.4638 -279.4574 -279.1913 -279.1827 -279.1823 -279.1190 -279.1146 -33.8334 -32.7933 -32.3151 -31.2114 -29.6719 -27.3360 -26.7667 -25.1046 -24.8486 -23.8564 -23.4430 -22.9549 -22.0187 -21.7978 -21.7422 -21.2532 -20.9849 -20.1059 -19.7276 -18.9164 -18.1257 -17.9632 -17.5293 -17.1731 -16.9313 -16.4821 -16.3588 -16.0422 -15.8720 -15.5161 -15.3129 -15.2386 -15.0484 -14.9823 -14.6389 -14.6053 -14.4402 -14.2602 -14.1843 -13.9687 -13.8660 -13.8087 -13.6772 -13.5013 -13.0641 -13.0390 -12.8889 -12.8452 -12.7548 -12.4118 -12.2812 -12.0004 -11.7495 -11.6230 -11.4496 -11.4341 -11.4087 -10.9072 -10.7577 -10.6531 -10.2945 -10.1665 -9.9100 -9.5463 -8.5819 -0.3507 2.0326 2.6377 2.8937 3.2358 3.3879 3.6812 3.9050 4.0214 4.1599 4.2743 4.3043 4.6145 4.7309 4.7956 4.8863 4.9898 5.1037 5.1416 5.3578 5.4573 5.5669 5.5843 5.6729 5.7163 5.8076 5.9781 6.0861 6.2307 6.3947 6.4233 6.5193 6.6217 6.7147 6.8413 6.8489 6.9331 7.1053 7.1530 7.3511 7.4316 7.5110 7.6073 7.6918 7.7901 7.9388 8.0852 8.1576 8.2224 8.3290 8.3792 8.5090 8.7796 9.1374 9.2422 9.3152 9.4999 9.5244 9.6650 9.7817 9.9422 10.0434 10.1749 10.2967 10.4064 10.4748 10.5306 10.7085 10.8162 10.9025 10.9441 11.1118 11.3291 11.3718 11.5520 11.7228 11.7723 12.0079 12.0363 12.1580 12.2798 12.4022 12.6532 12.7558 12.9236 13.0669 13.1767 13.2561 13.3355 13.4153 13.4536 13.5400 13.6202 13.6901 13.7012 13.8788 13.9259 14.0839 14.1090 14.2199 14.2251 14.3381 14.4411 14.4948 14.5779 14.6141 14.7271 14.8731 14.9787 15.0618 15.1980 15.2678 15.3165 15.3888 15.4439 15.5026 15.5112 15.6156 15.6447 15.6955 15.7898 15.8960 15.9812 16.0747 16.2084 16.3459 16.4269 16.6530 16.7965 17.0190 17.1547 17.2192 17.2961 17.3886 17.4552 17.6273 17.6938 17.7676 17.9628 18.1726 18.3033 18.3416 18.5098 18.8065 18.9299 19.0231 19.3860 19.5009 19.5316 19.6239 19.7978 20.0532 20.1297 20.3317 20.4563 20.6179 20.7895 21.1114 21.2214 21.4243 21.6058 21.8359 21.8817 22.3068 22.3414 22.4367 22.5535 22.7681 22.8507 23.0821 23.3263 23.3870 23.6583 23.8527 23.9418 24.0139 24.1553 24.2561 24.5457 24.6531 24.8866 24.9256 25.0683 25.3688 25.4257 25.5698 25.6347 25.7636 25.8536 25.9392 26.3551 26.6107 26.7801 26.8157 26.9449 27.0391 27.2493 27.5482 27.9266 28.0685 28.1733 28.2425 28.3833 28.4560 28.6163 28.7443 28.8952 28.9978 29.1242 29.2635 29.4376 29.4938 29.5688 29.8196 29.9602 30.0107 30.2180 30.3092 30.3796 30.4241 30.4916 30.5668 30.8662 31.0234 31.1856 31.2573 31.3896 31.6006 31.7355 31.8083 31.8957 32.0424 32.0865 32.2597 32.3955 32.5740 32.6558 32.7311 32.9730 33.1233 33.2816 33.3372 33.5785 33.6104 33.7729 33.8042 33.8911 33.9958 34.1508 34.2406 34.4260 34.5905 34.7269 34.7609 34.9878 35.1572 35.2793 35.5282 35.6396 35.8155 36.0236 36.1436 36.1887 36.3339 36.5613 36.8221 36.8904 37.0623 37.1319 37.3758 37.5178 37.6058 37.7567 38.0639 38.1617 38.2479 38.3479 38.6227 38.7680 39.0469 39.1153 39.2667 39.3956 39.5417 39.5847 39.9325 40.1478 40.2172 40.3216 40.4546 40.5432 40.6139 40.7510 40.9239 41.0710 41.1949 41.5024 41.6600 41.6825 41.8697 41.9787 42.0586 42.2345 42.3418 42.5636 42.6708 42.8172 42.8739 42.9614 43.0415 43.1933 43.3009 43.4079 43.5164 43.5573 43.8053 43.8734 44.0316 44.1311 44.2433 44.3669 44.3996 44.7300 44.7644 45.0115 45.0752 45.2846 45.5233 45.7145 45.7998 46.0564 46.2177 46.4037 46.4982 46.5787 46.7145 46.8185 46.8611 47.0018 47.1478 47.2789 47.3544 47.6178 47.6276 47.7417 47.9243 47.9700 48.1898 48.5080 48.9119 49.0154 49.1290 49.3268 49.6521 49.6714 50.0339 50.1373 50.4080 50.4411 50.7765 50.8711 51.2106 51.3267 51.6181 52.1372 52.2589 52.5324 52.6663 52.8249 53.1378 53.5606 53.5705 53.9391 53.9892 54.3470 54.6422 54.9041 55.2900 55.4980 55.9114 56.5896 56.7505 56.7746 57.1353 57.3745 57.6758 58.0107 58.0571 58.3531 58.5599 58.8869 59.1664 59.4229 59.6863 59.7689 60.1653 60.3171 60.6227 60.8257 61.1012 61.1952 61.5395 61.9531 62.0383 62.3646 62.4334 62.7335 63.0504 63.1702 63.2157 63.3678 63.5180 63.9433 64.0919 64.3476 64.7110 65.0472 65.4395 65.9351 65.9966 66.2810 66.5182 66.8655 67.3491 67.8130 67.8783 68.0389 68.2893 68.4427 69.0113 69.0310 69.2183 69.7697 70.0200 70.5077 70.6493 70.8496 71.0101 71.0914 71.4996 71.6502 71.7423 71.9373 72.0363 72.2772 72.6152 72.7229 72.9372 73.1314 73.3243 73.5587 73.6466 73.8369 73.9133 74.1907 74.5331 74.6525 74.7372 75.0664 75.1773 75.4033 75.5003 75.6601 75.8151 75.9590 76.1060 76.3552 76.4429 76.8408 77.1800 77.4081 77.5637 77.7749 77.8342 78.0172 78.3328 78.3485 78.5440 78.6761 78.8759 79.0666 79.1732 79.3568 79.5135 79.6141 79.6699 79.9549 80.0846 80.2252 80.4860 80.5750 80.6028 80.9106 80.9855 81.0647 81.2752 81.3340 81.4806 81.5748 81.6732 81.7690 81.9515 82.0667 82.1731 82.4483 82.7681 82.9680 83.0199 83.2510 83.3450 83.4562 83.6131 83.7717 83.7821 84.0171 84.2932 84.3988 84.4993 84.6278 84.6930 85.1641 85.2089 85.2839 85.4379 85.4844 85.5150 85.8333 85.8987 85.9950 86.0758 86.2941 86.4555 86.5942 86.6887 86.8403 86.8664 86.9864 87.1216 87.2282 87.3806 87.5185 87.7426 87.8002 87.9890 88.0118 88.0838 88.3363 88.5511 88.6335 88.6588 88.7397 89.0896 89.1288 89.1816 89.4129 89.5492 89.5782 89.8638 90.0365 90.1403 90.4199 90.5847 90.6488 90.7255 90.8862 90.9604 91.1258 91.2921 91.4009 91.5086 91.7221 91.8861 91.9627 92.2516 92.4210 92.4989 92.6330 92.7516 92.9380 93.1124 93.2323 93.3804 93.5215 93.5935 93.7775 93.9804 94.1211 94.3258 94.4039 94.6664 94.7554 94.8374 94.8410 95.0202 95.1690 95.2139 95.3224 95.5575 95.6420 95.6650 96.0156 96.0510 96.2242 96.3695 96.5018 96.6151 96.8616 96.9974 97.1308 97.1752 97.2444 97.4077 97.7266 97.8265 97.9923 98.0445 98.2352 98.5210 98.5587 98.7572 98.8292 99.0066 99.0932 99.5519 99.5823 99.7295 99.8129 99.9304 99.9993 100.1059 100.2851 100.5059 100.5608 100.7685 100.8326 101.0957 101.1782 101.4593 101.6952 101.7901 101.9469 102.2090 102.2918 102.4221 102.5626 102.6543 102.8351 102.9140 103.0769 103.1638 103.2828 103.6296 103.7350 103.9121 104.0441 104.1929 104.4251 104.4873 104.8384 105.0069 105.1297 105.5755 105.6395 105.9364 106.0046 106.1509 106.2570 106.7319 106.9248 107.0931 107.2425 107.3403 107.4883 107.6756 108.0176 108.1885 108.3673 108.5743 108.6495 108.7776 109.0440 109.0906 109.2631 109.4725 109.6553 109.7404 109.9717 110.1226 110.1774 110.2924 110.4896 110.5946 110.6717 110.7946 110.9253 111.0237 111.2487 111.3682 111.5434 111.8026 111.8892 112.0110 112.1633 112.4652 112.5682 112.6851 113.1035 113.1433 113.3905 113.6516 113.7547 113.8591 113.9320 114.0697 114.1085 114.3010 114.4262 114.4813 114.7485 114.8183 114.9612 115.0556 115.1535 115.2609 115.3137 115.5392 115.7025 115.8637 116.0238 116.0647 116.3282 116.4869 116.5730 116.7009 116.8426 116.9121 117.1120 117.3046 117.3791 117.5458 117.6628 117.8357 117.9922 118.1046 118.3772 118.4696 118.7049 118.7627 118.9083 119.1282 119.2185 119.3697 119.6302 119.7916 119.9323 120.4150 120.5148 120.7106 120.8193 120.9772 121.0991 121.4793 121.8131 122.0739 122.0757 122.2943 122.4820 122.6391 122.7562 123.0527 123.3595 123.7604 123.9605 124.0146 124.3870 124.4318 124.4737 124.5633 125.0741 125.3476 125.6223 125.7983 125.8783 126.1866 126.3630 126.4680 126.9708 127.0029 127.5041 127.6549 127.8551 127.9671 128.4252 128.5300 128.8978 128.9954 129.2908 129.2978 129.6409 129.9429 130.0859 130.3089 130.4014 130.5684 130.5834 130.8068 130.9210 131.2461 131.3218 131.6884 131.8210 132.2448 132.3350 132.7207 133.0444 133.2550 133.6341 133.8570 134.1609 134.1820 134.3901 134.4618 134.6251 134.7105 135.1411 135.4625 135.7659 135.9008 136.3057 136.5218 136.8253 137.0320 137.1782 137.6974 137.9750 138.0818 138.6072 138.9927 139.1050 139.2711 139.5015 139.6730 139.9667 140.0963 140.4229 140.6440 140.9254 141.0787 141.4625 141.5675 141.8896 142.0354 142.1239 142.5305 142.6737 142.7669 143.2752 143.3318 143.5960 143.7710 143.8836 144.3684 144.4563 144.5948 144.7649 144.9596 145.3091 145.3990 145.5702 145.7531 145.8803 145.9575 146.0524 146.3687 146.4491 146.8594 146.8952 147.1951 147.4041 147.8325 148.0011 148.1301 148.3062 148.4528 148.7263 149.1275 149.4152 149.4950 149.6260 149.7048 149.8595 150.0665 150.2793 150.4351 150.6636 150.6962 150.8583 151.1066 151.1686 151.2129 151.3043 151.4852 151.7209 152.3715 152.6438 152.6936 152.7881 153.1752 153.2608 153.7211 153.9800 154.3592 154.5985 154.8129 154.8535 155.1238 155.2956 155.5198 155.8699 155.9836 156.4624 156.5408 156.8632 156.9165 157.5029 157.6733 157.8388 157.9786 158.0153 158.0776 159.1024 159.2470 159.4162 159.6194 159.7046 159.8847 160.0855 160.3236 160.4158 160.6063 161.2152 161.4186 162.2632 163.2773 164.5903 165.7973 166.2145 167.0788 168.9648 169.9110 171.8155 172.0043 173.1159 173.5272 175.8821 176.0408 176.2565 176.7413 178.8873 179.5909 180.4933 181.9866 182.0867 182.6082 186.2161 187.0016 187.6612 187.9282 188.6007 189.9071 192.3309 192.6748 193.5032 195.7274 196.6808 196.7009 196.9949 199.2065 199.6073 204.6353 206.5629 618.6069 622.1815 626.1788 632.8079 636.2443 637.8626 639.8177 640.0205 641.2036 642.5063 642.8825 643.3643 643.7281 644.9472 646.9827 648.3160 650.2801 650.8556 651.5332 902.3665 1199.8126 1200.7154 1203.7940 1210.2917 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 -0.279735 -0.449102 -0.400948 -0.411110 -0.106167 0.151735 -0.024816 -0.128146 -0.265209 -0.306619 -0.257433 0.389425 -0.028371 0.086966 -0.225441 -0.268373 -0.034605 -0.094881 -0.076015 -0.068525 -0.135612 -0.138005 0.299514 0.309707 0.114950 0.098548 0.086572 0.093750 0.096178 0.096990 0.096309 0.105920 0.121495 0.140648 0.132714 0.087574 0.094321 0.094374 0.104608 0.093370 0.098312 0.093542 0.099744 0.093732 0.099897 0.078700 0.080905 0.077831 0.080778 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 8.2797 8.4491 8.4009 8.4111 7.1062 5.8483 6.0248 6.1281 6.2652 6.3066 6.2574 5.6106 6.0284 5.9130 6.2254 6.2684 6.0346 6.0949 6.0760 6.0685 6.1356 6.1380 5.7005 5.6903 0.8850 0.9015 0.9134 0.9062 0.9038 0.9030 0.9037 0.8941 0.8785 0.8594 0.8673 0.9124 0.9057 0.9056 0.8954 0.9066 0.9017 0.9065 0.9003 0.9063 0.9001 0.9213 0.9191 0.9222 0.9192 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 -0.2797 -0.4491 -0.4009 -0.4111 -0.1062 0.1517 -0.0248 -0.1281 -0.2652 -0.3066 -0.2574 0.3894 -0.0284 0.0870 -0.2254 -0.2684 -0.0346 -0.0949 -0.0760 -0.0685 -0.1356 -0.1380 0.2995 0.3097 0.1150 0.0985 0.0866 0.0938 0.0962 0.0970 0.0963 0.1059 0.1215 0.1406 0.1327 0.0876 0.0943 0.0944 0.1046 0.0934 0.0983 0.0935 0.0997 0.0937 0.0999 0.0787 0.0809 0.0778 0.0808 2.1110 2.0414 2.1155 2.1013 3.0672 3.7329 3.8518 3.8133 3.9000 3.9085 3.8507 4.1227 3.7087 3.9007 3.9263 3.9478 3.6174 3.6943 3.9141 3.9179 3.9137 3.9172 4.2180 4.1982 1.0033 1.0290 1.0050 1.0019 1.0020 1.0103 1.0070 1.0002 0.9994 0.9917 1.0141 1.0074 0.9966 0.9962 1.0001 1.0037 0.9982 1.0159 1.0046 1.0157 1.0061 1.0071 1.0093 1.0062 1.0094 2.1110 2.0414 2.1155 2.1013 3.0672 3.7329 3.8518 3.8133 3.9000 3.9085 3.8507 4.1227 3.7087 3.9007 3.9263 3.9478 3.6174 3.6943 3.9141 3.9179 3.9137 3.9172 4.2180 4.1982 1.0033 1.0290 1.0050 1.0019 1.0020 1.0103 1.0070 1.0002 0.9994 0.9917 1.0141 1.0074 0.9966 0.9962 1.0001 1.0037 0.9982 1.0159 1.0046 1.0157 1.0061 1.0071 1.0093 1.0062 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 1.1463 0.9021 1.8780 2.0565 2.0275 0.9178 1.1163 1.1005 0.9654 0.8580 0.9411 0.9211 0.9417 0.9414 1.0120 0.9799 1.0218 0.9834 0.9925 0.9925 0.9971 0.9923 0.9902 1.8535 0.9967 0.9627 0.9622 0.9730 0.9840 0.9997 0.9829 0.9796 0.9842 1.0032 0.9824 1.7287 0.9796 0.9333 0.9779 0.9612 0.9297 1.0014 0.9819 0.9272 1.0017 0.9830 0.9256 1.0071 1.0073 1.0063 1.0074 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 -0.025900600 -1094.899706649154 9.52567 -9.89295 -0.36727 15.95785 -15.97877 -0.02092 11.83438 -10.64641 1.18796 1.24362 3.16103