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:.2451,1.4484,.1502;1.5325,1.0436,1.9436;-2.962,2.6394,-.9335;-1.5504,-.7635,1.7197;-2.0162,1.1899,.5929;3.7031,1.0728,-.394;3.5298,-.2955,.1941;2.3084,.4816,-.2501;4.1516,2.1899,.5153;4.2107,1.2212,-1.8071;3.8916,-1.5315,-.5296;1.3586,.9998,.7487;4.6116,-2.5496,-.0462;-.8417,1.9146,.9431;4.8807,-3.7641,-.8836;5.1985,-2.6039,1.3317;-3.8822,.4356,-.5271;-3.4692,-.5651,.2526;-5.0779,.3966,-1.4034;-4.1218,-1.8919,.357;-5.9445,-.8079,-1.0315;-5.1084,-2.0657,-.7993;-2.9459,1.5753,-.3672;-2.2463,-.1291,.9663;3.6643,-.3273,1.2699;1.8519,.1757,-1.1852;5.2397,2.2705,.4853;3.868,2.0386,1.5549;3.7429,3.1483,.189;3.8189,.4607,-2.481;5.3003,1.1568,-1.8284;3.9294,2.1951,-2.2119;3.5201,-1.6156,-1.5468;-.9969,2.9691,.7261;-.6404,1.8014,2.0055;4.5112,-4.6674,-.3909;5.954,-3.9108,-1.0291;4.4122,-3.7006,-1.8655;5.1236,-1.6672,1.8806;6.2561,-2.8746,1.2842;4.7109,-3.3797,1.9286;-5.6436,1.3268,-1.3157;-4.7563,.3357,-2.4478;-3.3711,-2.6854,.3539;-4.6354,-1.9659,1.3206;-6.5086,-.5775,-.1234;-6.6778,-.9858,-1.8187;-4.5542,-2.3051,-1.711;-5.7603,-2.916,-.5967; 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 2052.5986712478 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 1.470e-05 Time for diagonalization 0.272 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.244 sec Total time needed 0.523 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:.2451,1.4484,.1502;1.5325,1.0436,1.9436;-2.962,2.6394,-.9335;-1.5504,-.7635,1.7197;-2.0162,1.1899,.5929;3.7031,1.0728,-.394;3.5298,-.2955,.1941;2.3084,.4816,-.2501;4.1516,2.1899,.5153;4.2107,1.2212,-1.8071;3.8916,-1.5315,-.5296;1.3586,.9998,.7487;4.6116,-2.5496,-.0462;-.8417,1.9146,.9431;4.8807,-3.7641,-.8836;5.1985,-2.6039,1.3317;-3.8822,.4356,-.5271;-3.4692,-.5651,.2526;-5.0779,.3966,-1.4034;-4.1218,-1.8919,.357;-5.9445,-.8079,-1.0315;-5.1084,-2.0657,-.7993;-2.9459,1.5753,-.3672;-2.2463,-.1291,.9663;3.6643,-.3273,1.2699;1.8519,.1757,-1.1852;5.2397,2.2705,.4853;3.868,2.0386,1.5549;3.7429,3.1483,.189;3.8189,.4607,-2.481;5.3003,1.1568,-1.8284;3.9294,2.1951,-2.2119;3.5201,-1.6156,-1.5468;-.9969,2.9691,.7261;-.6404,1.8014,2.0055;4.5112,-4.6674,-.3909;5.954,-3.9108,-1.0291;4.4122,-3.7006,-1.8655;5.1236,-1.6672,1.8806;6.2561,-2.8746,1.2842;4.7109,-3.3797,1.9286;-5.6436,1.3268,-1.3157;-4.7563,.3357,-2.4478;-3.3711,-2.6854,.3539;-4.6354,-1.9659,1.3206;-6.5086,-.5775,-.1234;-6.6778,-.9858,-1.8187;-4.5542,-2.3051,-1.711;-5.7603,-2.916,-.5967; 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 "WATER" 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:.2451,1.4484,.1502;1.5325,1.0436,1.9436;-2.962,2.6394,-.9335;-1.5504,-.7635,1.7197;-2.0162,1.1899,.5929;3.7031,1.0728,-.394;3.5298,-.2955,.1941;2.3084,.4816,-.2501;4.1516,2.1899,.5153;4.2107,1.2212,-1.8071;3.8916,-1.5315,-.5296;1.3586,.9998,.7487;4.6116,-2.5496,-.0462;-.8417,1.9146,.9431;4.8807,-3.7641,-.8836;5.1985,-2.6039,1.3317;-3.8822,.4356,-.5271;-3.4692,-.5651,.2526;-5.0779,.3966,-1.4034;-4.1218,-1.8919,.357;-5.9445,-.8079,-1.0315;-5.1084,-2.0657,-.7993;-2.9459,1.5753,-.3672;-2.2463,-.1291,.9663;3.6643,-.3273,1.2699;1.8519,.1757,-1.1852;5.2397,2.2705,.4853;3.868,2.0386,1.5549;3.7429,3.1483,.189;3.8189,.4607,-2.481;5.3003,1.1568,-1.8284;3.9294,2.1951,-2.2119;3.5201,-1.6156,-1.5468;-.9969,2.9691,.7261;-.6404,1.8014,2.0055;4.5112,-4.6674,-.3909;5.954,-3.9108,-1.0291;4.4122,-3.7006,-1.8655;5.1236,-1.6672,1.8806;6.2561,-2.8746,1.2842;4.7109,-3.3797,1.9286;-5.6436,1.3268,-1.3157;-4.7563,.3357,-2.4478;-3.3711,-2.6854,.3539;-4.6354,-1.9659,1.3206;-6.5086,-.5775,-.1234;-6.6778,-.9858,-1.8187;-4.5542,-2.3051,-1.711;-5.7603,-2.916,-.5967; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2911 GEPOL Volume 2282.6152 GEPOL Surface-area 1352.2747 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1094.87015065 2052.59867125 -3147.46882190 -5567.57425692 2420.10543502 -0.03921016 -2184.90223104 1090.03208039 2.00443847 89.000045325209 89.000045325209 178.000090650417 -105.972368234344 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 -524.8845 -523.6730 -523.6691 -523.2196 -393.9602 -283.5532 -283.4015 -283.3757 -282.3415 -280.4748 -280.4499 -280.3337 -279.9974 -279.8952 -279.7371 -279.7366 -279.7340 -279.4166 -279.4112 -279.2967 -279.1649 -279.1540 -279.1469 -279.1233 -33.8568 -32.9443 -32.4365 -31.3451 -29.7782 -27.3854 -26.8197 -25.1545 -24.9049 -23.8587 -23.4586 -23.0060 -22.0581 -21.7962 -21.7246 -21.3361 -20.9489 -20.0683 -19.7481 -18.7571 -18.3371 -18.0484 -17.8867 -17.4674 -16.8716 -16.5607 -16.3688 -16.1391 -15.9241 -15.6756 -15.5192 -15.2586 -15.1158 -15.0030 -14.6111 -14.4695 -14.4607 -14.3397 -14.0718 -13.9804 -13.9342 -13.8550 -13.5256 -13.3946 -13.1347 -13.0836 -12.8588 -12.8513 -12.7746 -12.5109 -12.3423 -12.0481 -11.7843 -11.6179 -11.4942 -11.3963 -11.3698 -11.0750 -10.9508 -10.8510 -10.5738 -10.2908 -10.0252 -9.6409 -8.4430 -0.4522 1.9720 2.7734 3.1394 3.1625 3.3826 3.7672 4.0013 4.0522 4.1909 4.2950 4.4710 4.5853 4.8028 4.8152 4.9124 4.9421 5.0003 5.2904 5.3031 5.3705 5.5781 5.6070 5.6921 5.7764 5.8807 5.9728 6.1209 6.2394 6.3176 6.4184 6.4694 6.5251 6.6626 6.6786 6.8633 6.8909 6.9959 7.0883 7.1972 7.3813 7.4510 7.5156 7.6218 7.7851 7.8833 7.8913 8.0535 8.1830 8.3475 8.3712 8.5240 8.6036 8.8119 8.9374 9.0221 9.2158 9.2700 9.4042 9.5364 9.7912 9.7994 10.0113 10.0826 10.2517 10.3478 10.5403 10.6409 10.7071 10.8868 11.0033 11.0344 11.1366 11.1609 11.3433 11.4910 11.5402 11.8562 12.0977 12.1711 12.2998 12.3824 12.4626 12.6424 12.7226 12.8366 12.9060 13.0511 13.1480 13.3308 13.3787 13.4710 13.5118 13.5569 13.5955 13.7327 13.8431 13.8946 13.9851 14.0770 14.1621 14.2598 14.4123 14.4398 14.5076 14.5488 14.5800 14.8383 14.8791 14.9223 15.0593 15.0793 15.1381 15.2178 15.3420 15.3748 15.4373 15.4867 15.5336 15.6094 15.6507 15.7012 15.8726 15.8950 16.1092 16.2445 16.3231 16.4907 16.6044 16.6532 16.7411 16.9631 17.0821 17.1557 17.2094 17.3796 17.4727 17.5383 17.7738 17.8849 18.0196 18.2451 18.3845 18.5116 18.5939 18.8425 18.9549 19.1406 19.2823 19.5197 19.6539 19.8223 19.8729 20.0041 20.1613 20.5208 20.7224 20.8232 20.8624 20.9165 20.9884 21.2288 21.4539 21.7280 21.9510 22.0284 22.0803 22.2766 22.4217 22.5832 22.8483 23.0508 23.2058 23.2606 23.5400 23.6226 23.7980 23.8693 23.9439 24.0015 24.1097 24.3685 24.6111 24.7389 24.9714 25.1291 25.2774 25.3210 25.5408 25.6638 25.9858 26.0670 26.1129 26.4705 26.5657 26.7865 26.9500 27.0513 27.1793 27.3976 27.5191 27.6823 27.9189 28.2070 28.3120 28.5364 28.6263 28.7584 28.8471 28.9861 29.1225 29.2699 29.3405 29.4180 29.5620 29.6666 29.7942 30.0013 30.0434 30.2185 30.3046 30.3958 30.4719 30.5566 30.7461 30.9057 31.0820 31.2057 31.3709 31.4376 31.5156 31.6470 31.8494 32.0556 32.1419 32.4899 32.5586 32.7097 32.7974 32.8164 33.0320 33.2210 33.2347 33.3968 33.4142 33.6244 33.7026 33.7330 33.9186 33.9452 34.1681 34.2452 34.3785 34.5384 34.8251 34.8822 35.0020 35.2426 35.3433 35.7279 35.8948 35.9202 35.9976 36.2171 36.2464 36.5286 36.6058 36.6872 36.7233 36.8724 37.0744 37.1979 37.2868 37.4008 37.4966 37.8097 37.8191 38.1286 38.4605 38.5208 38.7156 38.8079 39.0509 39.2163 39.3259 39.4813 39.4904 39.6569 40.1695 40.2401 40.3597 40.5339 40.6580 40.8019 40.9835 41.1032 41.1764 41.4570 41.4964 41.5866 41.7478 41.8313 42.0776 42.1759 42.3369 42.3889 42.4918 42.5772 42.7114 42.8303 43.0161 43.0689 43.1649 43.4108 43.4422 43.6433 43.7193 43.7265 43.9188 44.0614 44.1176 44.2200 44.4071 44.4713 44.6248 44.7487 44.8213 44.8848 45.1545 45.4143 45.6214 45.8479 46.0336 46.0808 46.4048 46.4748 46.6372 46.6568 46.8275 46.8712 47.0485 47.1289 47.3132 47.4884 47.5518 47.6782 47.7679 47.8157 47.9459 48.0622 48.1777 48.5346 48.6826 48.7891 48.9178 49.2675 49.6309 49.9883 50.1521 50.4099 50.5105 50.6378 51.1285 51.2709 51.3940 51.9274 51.9745 52.1161 52.2643 52.7481 52.8948 53.1302 53.6199 53.7011 53.8716 54.1222 54.3707 54.8539 55.1940 55.9068 56.1588 56.4705 56.6249 56.8625 56.9125 57.1127 57.3541 57.5347 57.9515 58.2560 58.5203 58.7419 59.2258 59.4895 59.8548 59.9741 60.1878 60.3075 60.5647 60.7353 61.0951 61.5248 61.6544 61.8294 62.2221 62.4802 62.6256 62.7865 62.9117 62.9693 63.0806 63.3075 63.3846 63.9782 64.0993 64.5306 64.9599 65.3588 65.4154 65.8176 66.0666 66.2147 66.7728 66.9885 67.2655 67.8353 67.9222 68.0161 68.2494 68.6066 69.0074 69.3143 69.4808 69.7583 70.1572 70.2414 70.4826 70.7255 70.7706 70.9323 71.1083 71.5254 71.7692 71.8662 72.2450 72.4468 72.5998 72.6719 72.7972 72.9313 73.2863 73.3402 73.6166 73.7342 73.9188 74.4002 74.6311 74.7706 74.9559 75.0686 75.2023 75.4263 75.4963 75.6327 75.6634 75.8394 76.4434 76.6575 76.7682 76.9525 77.1416 77.3188 77.5038 77.7544 77.8677 78.0098 78.2604 78.4730 78.4935 78.6962 78.8433 79.1151 79.1464 79.1939 79.3120 79.4649 79.5161 79.6273 79.7620 79.9887 80.3207 80.3475 80.4696 80.6655 80.7922 80.8561 80.9955 81.0942 81.2148 81.5459 81.6089 81.8038 81.9510 82.0001 82.1795 82.2898 82.4445 82.7346 83.0345 83.0740 83.2436 83.3662 83.5777 83.7526 83.8098 83.8608 84.0811 84.2410 84.3037 84.5387 84.7736 84.8651 84.9392 85.1027 85.2411 85.3388 85.3999 85.4814 85.6442 85.7492 85.8754 86.0153 86.0612 86.2188 86.4449 86.4745 86.6139 86.7226 86.8607 86.9771 87.0949 87.3982 87.4534 87.6703 87.7764 87.8707 88.0546 88.1630 88.5011 88.5571 88.7951 88.8793 88.9949 89.0621 89.1442 89.3513 89.4566 89.5783 89.6160 89.8331 89.9687 90.0421 90.2815 90.5174 90.6383 90.6928 90.8190 90.9117 91.0841 91.3590 91.4263 91.5638 91.7673 91.9877 92.1176 92.1398 92.2997 92.5094 92.6882 92.7935 92.9631 93.1154 93.2511 93.5095 93.5647 93.6292 93.6668 93.8398 94.0512 94.1911 94.2611 94.4840 94.5959 94.7022 94.8237 94.9176 95.0461 95.2185 95.2941 95.4307 95.6319 95.8061 95.8976 96.1006 96.2167 96.3946 96.6776 96.8056 96.8668 97.1441 97.1797 97.2343 97.5999 97.7331 97.8902 97.9973 98.0510 98.1115 98.2966 98.4058 98.5700 98.8187 98.9847 99.1121 99.3454 99.4821 99.6663 99.8348 99.8717 100.0028 100.0610 100.3177 100.5422 100.8313 100.8990 101.1808 101.2523 101.3926 101.4913 101.7558 101.9887 102.0101 102.1653 102.2347 102.5734 102.6001 102.8427 103.0789 103.1728 103.3612 103.4833 103.6594 103.6913 103.7649 103.8942 104.3715 104.4925 104.5968 104.6809 104.7438 104.9296 105.2943 105.3062 105.7736 105.8697 105.9866 106.0564 106.3411 106.7216 106.8406 107.0266 107.3186 107.4363 107.5043 107.6430 107.7740 107.9929 108.3793 108.5150 108.6602 108.7225 108.9181 109.0782 109.2224 109.5082 109.5796 109.7325 109.8652 109.9556 110.1994 110.3014 110.4546 110.5247 110.6806 110.8426 110.9509 111.1185 111.2084 111.4533 111.5819 111.6888 111.8659 111.8930 112.0976 112.4366 112.4911 112.5743 112.8970 113.0804 113.1176 113.1536 113.4909 113.7389 113.7933 113.9238 114.0971 114.2024 114.5128 114.6171 114.7309 114.8595 115.0033 115.0682 115.1936 115.2546 115.2976 115.3533 115.6298 115.6413 115.8700 115.9247 116.3176 116.4626 116.5691 116.7548 116.8236 116.9912 117.2760 117.4213 117.4300 117.4719 117.5453 117.8171 117.8696 117.9311 118.3055 118.4191 118.5643 118.8597 119.0113 119.1561 119.4856 119.5806 119.7710 119.9009 120.2060 120.3743 120.4497 120.6013 120.9148 121.0883 121.3338 121.4856 121.6250 122.2250 122.2737 122.3868 122.4829 122.9154 122.9725 123.3011 123.6441 123.7465 123.9774 124.1314 124.3640 124.5038 125.1427 125.2075 125.4959 125.7950 125.8977 126.1310 126.2482 126.2751 126.5944 126.9119 127.0713 127.4464 127.6279 127.6712 127.9677 128.1940 128.4519 128.8136 128.8850 129.0254 129.1764 129.5709 129.6722 129.8123 129.8955 130.0189 130.3711 130.3933 130.6572 130.9474 131.1411 131.1869 131.4342 131.7120 131.9788 132.1874 132.3377 132.7160 133.1761 133.4020 133.5749 133.7655 134.0069 134.2539 134.3427 134.4267 134.5747 134.8239 134.9887 135.3277 135.6084 135.7176 136.2618 136.9666 137.4976 137.5516 137.8477 137.9069 138.5067 138.8291 138.9973 139.2065 139.3780 139.7113 139.8220 139.9256 140.1716 140.2374 140.4053 141.0451 141.1031 141.4047 141.4105 141.7511 141.9296 142.2165 142.5509 142.7692 142.9743 143.2164 143.3117 143.4598 143.7089 143.9767 144.0519 144.2265 144.4933 144.6124 144.9073 145.2502 145.2929 145.3607 145.6679 145.7822 146.0160 146.3011 146.4168 146.5739 146.6744 146.8582 146.9709 147.2649 147.6186 147.8974 148.1003 148.2733 148.5228 148.8061 148.9797 149.1355 149.2976 149.3943 149.7602 149.9035 150.0016 150.1705 150.3197 150.6639 150.8765 150.8921 151.0845 151.2307 151.3528 151.4488 151.7195 151.8793 152.1235 152.2111 152.5492 152.7348 152.8573 153.1605 153.3452 153.4901 153.8866 154.1928 154.5629 154.7836 154.8795 155.2651 155.7317 155.8620 156.2837 156.3580 156.4983 156.7765 157.3277 157.4777 157.6919 157.8859 157.9056 158.0233 158.3794 159.0695 159.3933 159.4653 159.5956 159.7659 159.8925 160.0280 160.1399 160.4850 161.2881 161.5582 162.0587 163.0717 163.8026 163.9579 166.1047 166.5986 167.7787 168.4632 170.2656 170.8298 171.3486 172.9457 173.2753 175.6812 175.7279 176.1433 176.7192 177.4696 179.2044 180.1100 181.5821 182.1955 182.8953 184.0805 186.4684 187.3586 187.7886 188.2364 188.6639 192.2894 192.5124 194.9320 195.5867 195.8342 196.3785 196.6438 197.9531 199.1553 204.0551 206.9010 618.0275 621.3990 627.2601 630.4713 635.5605 638.4056 639.9780 640.7395 641.1329 642.3927 642.7211 643.1988 643.5887 644.8402 646.8517 647.5001 649.8717 650.1715 651.6252 902.5583 1198.7991 1199.2232 1200.2229 1210.1152 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 -0.281706 -0.484089 -0.434454 -0.436242 -0.106527 0.105649 0.050080 -0.137338 -0.274055 -0.268823 -0.290768 0.438860 -0.041981 0.082873 -0.219664 -0.257670 -0.080348 -0.053207 -0.073168 -0.071830 -0.135775 -0.135009 0.345359 0.334736 0.089075 0.096209 0.098109 0.091338 0.100408 0.090238 0.098006 0.098347 0.122237 0.128355 0.138108 0.093518 0.094231 0.088877 0.091817 0.094074 0.100247 0.094299 0.102899 0.093438 0.101796 0.078437 0.081236 0.078616 0.081180 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 8.2817 8.4841 8.4345 8.4362 7.1065 5.8944 5.9499 6.1373 6.2741 6.2688 6.2908 5.5611 6.0420 5.9171 6.2197 6.2577 6.0803 6.0532 6.0732 6.0718 6.1358 6.1350 5.6546 5.6653 0.9109 0.9038 0.9019 0.9087 0.8996 0.9098 0.9020 0.9017 0.8778 0.8716 0.8619 0.9065 0.9058 0.9111 0.9082 0.9059 0.8998 0.9057 0.8971 0.9066 0.8982 0.9216 0.9188 0.9214 0.9188 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 -0.2817 -0.4841 -0.4345 -0.4362 -0.1065 0.1056 0.0501 -0.1373 -0.2741 -0.2688 -0.2908 0.4389 -0.0420 0.0829 -0.2197 -0.2577 -0.0803 -0.0532 -0.0732 -0.0718 -0.1358 -0.1350 0.3454 0.3347 0.0891 0.0962 0.0981 0.0913 0.1004 0.0902 0.0980 0.0983 0.1222 0.1284 0.1381 0.0935 0.0942 0.0889 0.0918 0.0941 0.1002 0.0943 0.1029 0.0934 0.1018 0.0784 0.0812 0.0786 0.0812 2.1083 2.0257 2.0768 2.0750 3.1150 3.7051 3.7572 3.8276 3.9081 3.9074 3.8795 4.1582 3.7500 3.8560 3.9216 3.9430 3.7072 3.6674 3.9188 3.9176 3.9160 3.9156 4.1976 4.1964 1.0348 1.0361 1.0002 1.0164 0.9996 1.0052 1.0017 1.0020 1.0097 1.0114 1.0203 0.9953 0.9966 1.0087 1.0081 0.9978 0.9957 1.0152 1.0047 1.0158 1.0044 1.0065 1.0093 1.0067 1.0094 2.1083 2.0257 2.0768 2.0750 3.1150 3.7051 3.7572 3.8276 3.9081 3.9074 3.8795 4.1582 3.7500 3.8560 3.9216 3.9430 3.7072 3.6674 3.9188 3.9176 3.9160 3.9156 4.1976 4.1964 1.0348 1.0361 1.0002 1.0164 0.9996 1.0052 1.0017 1.0020 1.0097 1.0114 1.0203 0.9953 0.9966 1.0087 1.0081 0.9978 0.9957 1.0152 1.0047 1.0158 1.0044 1.0065 1.0093 1.0067 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 1.1663 0.8711 1.8899 1.9991 1.9971 0.9552 1.1095 1.1223 0.8803 0.8614 0.9530 0.9506 0.9290 0.9915 1.0035 1.0356 1.0086 0.9886 0.9830 0.9946 0.9881 0.9938 0.9900 1.8537 0.9750 0.9636 0.9641 0.9741 0.9823 0.9782 0.9834 1.0000 1.0044 0.9844 0.9816 1.7334 0.9762 0.9752 0.9761 0.9602 0.9299 0.9991 0.9826 0.9298 1.0009 0.9817 0.9255 1.0066 1.0071 1.0066 1.0073 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 -0.021896953 -1094.892047602014 20.84922 -21.95007 -1.10084 -14.63373 13.69348 -0.94025 -8.03245 6.63095 -1.40150 2.01497 5.12166