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:1.053,-1.6071,-1.2012;.6904,.5947,-1.0825;-2.1975,.2942,-2.2216;-.9339,-2.9753,.6762;-1.2982,-1.4749,-1.0352;2.5643,.0803,1.4551;3.3376,.8584,.4447;2.5954,-.3919,.0061;3.3311,-.7785,2.4302;1.2887,.6405,2.0331;2.9647,2.2404,.0462;1.3697,-.3621,-.8073;3.2114,2.7954,-1.142;-.1843,-1.8138,-1.8646;2.8476,4.2203,-1.4277;3.8298,2.0536,-2.2854;-2.9766,-.2783,-.0066;-2.6198,-1.2461,.8382;-4.0245,.7383,.2531;-3.2224,-1.4818,2.1726;-4.3753,.7357,1.7422;-4.5212,-.682,2.2939;-2.1468,-.3882,-1.2323;-1.5283,-2.0343,.2152;4.411,.6843,.4746;3.2096,-1.268,-.1695;4.2511,-1.1693,1.9935;3.6049,-.2021,3.3167;2.732,-1.6294,2.7609;1.5127,1.2161,2.9336;.749,1.2985,1.3558;.6113,-.1662,2.3231;2.498,2.854,.8118;-.1958,-2.874,-2.1062;-.2513,-1.2415,-2.7899;2.1352,4.2832,-2.2548;2.4019,4.7131,-.5634;3.7242,4.7992,-1.7308;4.1023,1.0291,-2.0376;3.1435,2.0196,-3.1362;4.7304,2.563,-2.6384;-3.6822,1.7257,-.0657;-4.9071,.5149,-.3551;-3.4034,-2.5482,2.3273;-2.508,-1.1831,2.947;-3.5906,1.2598,2.2954;-5.2974,1.2963,1.9019;-5.3151,-1.2019,1.7499;-4.8317,-.6463,3.3392; 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 2185.3074919360 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 1.217e-05 Time for diagonalization 0.414 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.276 sec Total time needed 0.700 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:1.053,-1.6071,-1.2012;.6904,.5947,-1.0825;-2.1975,.2942,-2.2216;-.9339,-2.9753,.6762;-1.2982,-1.4749,-1.0352;2.5643,.0803,1.4551;3.3376,.8584,.4447;2.5954,-.3919,.0061;3.3311,-.7785,2.4302;1.2887,.6405,2.0331;2.9647,2.2404,.0462;1.3697,-.3621,-.8073;3.2114,2.7954,-1.142;-.1843,-1.8138,-1.8646;2.8476,4.2203,-1.4277;3.8298,2.0536,-2.2854;-2.9766,-.2783,-.0066;-2.6198,-1.2461,.8382;-4.0245,.7383,.2531;-3.2224,-1.4818,2.1726;-4.3753,.7357,1.7422;-4.5212,-.682,2.2939;-2.1468,-.3882,-1.2323;-1.5283,-2.0343,.2152;4.411,.6843,.4746;3.2096,-1.268,-.1695;4.2511,-1.1693,1.9935;3.6049,-.2021,3.3167;2.732,-1.6294,2.7609;1.5127,1.2161,2.9336;.749,1.2985,1.3558;.6113,-.1662,2.3231;2.498,2.854,.8118;-.1958,-2.874,-2.1062;-.2513,-1.2415,-2.7899;2.1352,4.2832,-2.2548;2.4019,4.7131,-.5634;3.7242,4.7992,-1.7308;4.1023,1.0291,-2.0376;3.1435,2.0196,-3.1362;4.7304,2.563,-2.6384;-3.6822,1.7257,-.0657;-4.9071,.5149,-.3551;-3.4034,-2.5482,2.3273;-2.508,-1.1831,2.947;-3.5906,1.2598,2.2954;-5.2974,1.2963,1.9019;-5.3151,-1.2019,1.7499;-4.8317,-.6463,3.3392; 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:1.053,-1.6071,-1.2012;.6904,.5947,-1.0825;-2.1975,.2942,-2.2216;-.9339,-2.9753,.6762;-1.2982,-1.4749,-1.0352;2.5643,.0803,1.4551;3.3376,.8584,.4447;2.5954,-.3919,.0061;3.3311,-.7785,2.4302;1.2887,.6405,2.0331;2.9647,2.2404,.0462;1.3697,-.3621,-.8073;3.2114,2.7954,-1.142;-.1843,-1.8138,-1.8646;2.8476,4.2203,-1.4277;3.8298,2.0536,-2.2854;-2.9766,-.2783,-.0066;-2.6198,-1.2461,.8382;-4.0245,.7383,.2531;-3.2224,-1.4818,2.1726;-4.3753,.7357,1.7422;-4.5212,-.682,2.2939;-2.1468,-.3882,-1.2323;-1.5283,-2.0343,.2152;4.411,.6843,.4746;3.2096,-1.268,-.1695;4.2511,-1.1693,1.9935;3.6049,-.2021,3.3167;2.732,-1.6294,2.7609;1.5127,1.2161,2.9336;.749,1.2985,1.3558;.6113,-.1662,2.3231;2.498,2.854,.8118;-.1958,-2.874,-2.1062;-.2513,-1.2415,-2.7899;2.1352,4.2832,-2.2548;2.4019,4.7131,-.5634;3.7242,4.7992,-1.7308;4.1023,1.0291,-2.0376;3.1435,2.0196,-3.1362;4.7304,2.563,-2.6384;-3.6822,1.7257,-.0657;-4.9071,.5149,-.3551;-3.4034,-2.5482,2.3273;-2.508,-1.1831,2.947;-3.5906,1.2598,2.2954;-5.2974,1.2963,1.9019;-5.3151,-1.2019,1.7499;-4.8317,-.6463,3.3392; 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 2882 GEPOL Volume 2294.9559 GEPOL Surface-area 1336.5969 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1094.87438342 2185.30749194 -3280.18187535 -5833.61657757 2553.43470221 -0.03323361 -2184.91999776 1090.04561435 2.00442988 89.000119436765 89.000119436765 178.000238873529 -105.972593845673 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 -524.7666 -523.5420 -523.5163 -523.0888 -393.8600 -283.3972 -283.2666 -283.2604 -282.3560 -280.4209 -280.3969 -280.2886 -279.9750 -279.9064 -279.7658 -279.7512 -279.6608 -279.4655 -279.4591 -279.2001 -279.1850 -279.1796 -279.1244 -279.1167 -33.8303 -32.7966 -32.3172 -31.2136 -29.6725 -27.3397 -26.7672 -25.1114 -24.8511 -23.8574 -23.4488 -22.9563 -22.0214 -21.7969 -21.7447 -21.2575 -20.9866 -20.1060 -19.7308 -18.9090 -18.1274 -17.9670 -17.5318 -17.1757 -16.9501 -16.4864 -16.3555 -16.0405 -15.8683 -15.5221 -15.3096 -15.2373 -15.0445 -14.9833 -14.6457 -14.6087 -14.4426 -14.2668 -14.2076 -13.9686 -13.8745 -13.8032 -13.6734 -13.5043 -13.0661 -13.0370 -12.8778 -12.8466 -12.7489 -12.4192 -12.2848 -12.0057 -11.7533 -11.6250 -11.4464 -11.4343 -11.4126 -10.8948 -10.7563 -10.6703 -10.3059 -10.1694 -9.9193 -9.5534 -8.5861 -0.3529 2.0161 2.6472 2.8759 3.2474 3.3809 3.6736 3.9073 4.0207 4.1466 4.2817 4.2978 4.6195 4.7145 4.7923 4.8876 4.9907 5.0991 5.1710 5.3490 5.4521 5.5518 5.5911 5.6607 5.7107 5.8008 5.9935 6.0920 6.2484 6.3836 6.4153 6.5017 6.6231 6.7021 6.8278 6.8540 6.9463 7.1087 7.1536 7.3393 7.4189 7.5258 7.5864 7.6724 7.7785 7.9466 8.0867 8.0993 8.1915 8.2894 8.3953 8.5207 8.7632 9.0891 9.2107 9.3140 9.4841 9.5242 9.6529 9.7716 9.9278 10.0358 10.1823 10.2984 10.3963 10.4768 10.5693 10.7066 10.8360 10.8976 10.9448 11.1199 11.3237 11.3724 11.5445 11.7201 11.7312 11.9953 12.0339 12.1649 12.3203 12.3874 12.6331 12.7252 12.9370 13.0411 13.1551 13.2541 13.3374 13.3829 13.4404 13.5225 13.6280 13.6507 13.7030 13.8403 13.9121 14.0412 14.0950 14.2086 14.2298 14.3240 14.4449 14.4602 14.5599 14.6132 14.7453 14.8446 14.9636 15.0346 15.1932 15.2645 15.3228 15.3755 15.4139 15.5105 15.5291 15.5678 15.6218 15.6904 15.7906 15.8973 15.9530 16.0716 16.2443 16.3159 16.3933 16.5664 16.7660 17.0260 17.1590 17.2205 17.3012 17.3790 17.5001 17.6292 17.6871 17.7293 17.9886 18.1834 18.2405 18.2902 18.4693 18.7898 18.8909 19.0060 19.3881 19.5096 19.5113 19.6357 19.8451 20.0443 20.1164 20.3090 20.4590 20.6705 20.8049 21.1161 21.2714 21.3756 21.5450 21.8157 21.8555 22.2661 22.3305 22.3948 22.5096 22.7724 22.8261 23.1230 23.2448 23.3721 23.6198 23.7907 23.8948 24.0279 24.1158 24.2320 24.5445 24.6323 24.8699 24.9439 25.0670 25.3093 25.4175 25.5376 25.5913 25.7571 25.8316 25.8983 26.3400 26.5459 26.7260 26.8529 26.8857 27.0117 27.2043 27.4919 27.9142 28.0317 28.1005 28.1984 28.3644 28.5162 28.5977 28.7220 28.8646 28.9753 29.1333 29.2406 29.3728 29.4810 29.5617 29.8161 29.9690 30.0216 30.1857 30.3039 30.3328 30.3867 30.5032 30.5883 30.8434 31.0812 31.1557 31.2744 31.3887 31.5241 31.7509 31.7817 31.8931 31.9096 32.0719 32.2421 32.3896 32.5504 32.5944 32.6684 32.9455 33.1176 33.2063 33.2608 33.4826 33.6144 33.7556 33.7748 33.8606 33.9405 34.1096 34.2792 34.4389 34.5446 34.6983 34.7899 34.9063 35.1606 35.2876 35.5132 35.6670 35.7949 35.9897 36.1349 36.1469 36.2444 36.5413 36.7511 36.8660 37.0612 37.1083 37.3717 37.5186 37.5964 37.7529 38.0667 38.1162 38.2365 38.3526 38.5896 38.7565 38.9993 39.0829 39.2190 39.3842 39.5101 39.5609 39.9234 40.1013 40.2067 40.3367 40.4651 40.4949 40.6382 40.7314 40.8825 41.0293 41.2206 41.4691 41.6593 41.7683 41.8865 41.9571 42.0374 42.2463 42.3333 42.5450 42.6353 42.7702 42.8236 42.9431 43.0355 43.1771 43.2863 43.4044 43.5225 43.5697 43.7879 43.8372 44.0334 44.1297 44.2066 44.3303 44.3847 44.6774 44.7739 44.9785 45.1237 45.3067 45.4533 45.6346 45.7599 46.0726 46.1643 46.3659 46.4522 46.5930 46.7004 46.8059 46.8530 47.0193 47.1553 47.2687 47.3139 47.6218 47.6418 47.7654 47.9046 47.9581 48.1916 48.6431 48.9155 48.9734 49.1646 49.2363 49.6184 49.7203 49.9493 50.0557 50.3881 50.5270 50.7377 50.8642 51.2153 51.2629 51.6414 52.0073 52.2290 52.5665 52.6382 52.7649 53.1855 53.4713 53.5423 53.8831 53.9728 54.2020 54.6190 54.9186 55.1367 55.3597 55.9388 56.6037 56.7477 56.7895 57.1237 57.3639 57.6517 57.9868 58.0508 58.3138 58.5452 58.9205 59.1334 59.3687 59.7180 59.7407 60.1989 60.2572 60.6364 60.7894 60.9860 61.1569 61.4845 61.9331 61.9667 62.4005 62.4094 62.7292 63.0380 63.1018 63.2510 63.3403 63.4871 63.9591 64.0829 64.3730 64.7170 65.0334 65.3801 65.8956 66.0790 66.2916 66.5170 66.7935 67.3537 67.8086 67.8697 68.0730 68.2313 68.4615 69.0042 69.0315 69.2168 69.7702 69.9596 70.4783 70.6366 70.8288 70.9993 71.0598 71.4630 71.6534 71.7125 71.9271 71.9668 72.3276 72.5629 72.6710 72.9121 73.0649 73.2831 73.4971 73.6066 73.8659 73.9338 74.1395 74.5310 74.6564 74.7113 75.0191 75.1735 75.4196 75.4904 75.6528 75.7695 75.9323 76.1365 76.3893 76.4994 76.8319 77.1610 77.4032 77.5498 77.7658 77.8410 77.9814 78.2404 78.3479 78.5009 78.6753 78.8993 79.0712 79.1638 79.3382 79.4589 79.6350 79.6731 79.9576 80.0436 80.1959 80.4601 80.5579 80.6348 80.9416 80.9646 81.0243 81.2364 81.2908 81.4434 81.5457 81.6529 81.7481 81.9175 82.0074 82.1762 82.3596 82.7474 82.9358 82.9829 83.2340 83.3262 83.4544 83.6262 83.7140 83.7405 83.9763 84.2468 84.3783 84.4571 84.5956 84.6859 85.1381 85.1767 85.2652 85.4389 85.4666 85.5011 85.7780 85.8305 85.9084 86.0500 86.3221 86.4334 86.5785 86.6596 86.8146 86.8398 86.9556 87.1357 87.2341 87.3545 87.4906 87.7177 87.7978 87.9494 88.0238 88.1284 88.3576 88.4585 88.5393 88.6160 88.7352 89.0604 89.1251 89.1673 89.3578 89.4924 89.5295 89.8421 90.0590 90.0917 90.3701 90.5764 90.6097 90.7186 90.8707 91.0111 91.1452 91.2786 91.3356 91.4682 91.6977 91.8599 91.9196 92.2605 92.4049 92.4642 92.5822 92.7479 92.9293 93.0680 93.1863 93.3414 93.5541 93.5757 93.7645 93.9506 94.1466 94.2936 94.3879 94.6279 94.7348 94.8289 94.8637 94.9422 95.1614 95.1934 95.2463 95.5159 95.5632 95.6890 95.9814 96.0736 96.2096 96.2980 96.4787 96.5662 96.8262 96.9790 97.1221 97.1630 97.2444 97.3997 97.6860 97.7789 97.9482 98.0560 98.2252 98.4751 98.5641 98.7374 98.8372 99.0045 99.0834 99.5498 99.5543 99.7377 99.7913 99.9145 99.9945 100.1125 100.2941 100.4426 100.5358 100.7830 100.8043 101.0418 101.1651 101.4184 101.6810 101.7813 101.9622 102.2267 102.2707 102.4391 102.5386 102.6785 102.8411 102.9132 103.0755 103.1821 103.2733 103.5711 103.7234 103.8685 104.0104 104.1848 104.4262 104.4831 104.8331 105.0078 105.1226 105.5650 105.6322 105.9246 105.9499 106.1092 106.1880 106.7497 106.9379 107.0608 107.2474 107.3042 107.4599 107.6809 107.9913 108.1774 108.3579 108.5704 108.6360 108.7793 109.0395 109.0878 109.2971 109.4237 109.6655 109.7468 109.9296 110.1559 110.1758 110.2690 110.4712 110.5530 110.6500 110.7814 110.9280 111.0017 111.2416 111.4035 111.4842 111.7432 111.8673 112.0125 112.1422 112.4289 112.5168 112.6991 113.1029 113.1296 113.3871 113.6455 113.6546 113.8703 113.9076 114.0635 114.1100 114.2684 114.4659 114.5019 114.7409 114.7883 114.9230 115.0539 115.1518 115.2834 115.3034 115.5331 115.6915 115.8406 116.0384 116.0486 116.2809 116.4839 116.6061 116.6776 116.8478 116.8965 117.1234 117.2921 117.3759 117.5435 117.6741 117.8114 117.9634 118.1063 118.3279 118.4291 118.7206 118.7236 118.9349 119.0479 119.1989 119.3604 119.5980 119.7903 119.9864 120.3832 120.5172 120.6994 120.7949 120.9417 121.1035 121.4718 121.8118 122.0585 122.0755 122.3016 122.4609 122.6348 122.7508 123.0356 123.3676 123.7587 123.9924 124.0235 124.3373 124.4257 124.4377 124.5211 125.1192 125.3069 125.5957 125.7591 125.9013 126.2082 126.3479 126.4169 126.9330 126.9946 127.5078 127.6323 127.8267 127.9363 128.4347 128.4562 128.8875 128.9852 129.2751 129.3119 129.6487 129.9537 130.0489 130.2763 130.3799 130.5133 130.5829 130.7864 131.0185 131.2270 131.2883 131.6926 131.7964 132.2575 132.3416 132.7002 133.1552 133.2183 133.5925 133.8623 134.1318 134.1557 134.3772 134.4596 134.6316 134.6555 135.0754 135.4548 135.7275 135.8351 136.2999 136.4826 136.7448 137.0192 137.1612 137.7089 137.9759 138.0801 138.5989 138.9920 139.0991 139.2768 139.5150 139.6585 139.9519 140.0767 140.3983 140.5907 140.8986 141.0081 141.4596 141.5867 141.9063 142.0401 142.1340 142.4366 142.5701 142.7763 143.2345 143.3464 143.5879 143.7557 143.8686 144.3584 144.5032 144.5759 144.7705 144.9554 145.2917 145.3400 145.5506 145.7590 145.8769 145.9597 146.0697 146.3524 146.4307 146.8260 146.8892 147.1953 147.4161 147.8750 147.9954 148.1449 148.2924 148.4534 148.7396 149.1158 149.3908 149.5504 149.6678 149.7295 149.8550 150.0739 150.2978 150.4418 150.6603 150.7010 150.8623 151.0680 151.1389 151.2142 151.3041 151.4973 151.7527 152.4466 152.6395 152.6900 152.7752 153.1725 153.2525 153.7514 153.9722 154.3533 154.5958 154.7825 154.8365 155.1569 155.3738 155.5310 155.8524 155.9781 156.4461 156.5429 156.8339 156.8991 157.4887 157.6842 157.8318 157.9579 158.0148 158.0634 159.0766 159.2389 159.4182 159.6042 159.7097 159.8801 160.0757 160.3199 160.4724 160.5724 161.2198 161.4844 162.2438 163.2643 164.5521 165.8443 166.1868 167.0937 169.0340 169.9850 171.7763 171.9725 173.0915 173.5673 175.8673 176.0719 176.2776 176.7057 178.7925 179.5691 180.4839 181.9729 182.0632 182.4502 186.2781 187.0115 187.6433 187.9098 188.5125 189.9615 192.3348 192.6296 193.5690 195.7299 196.6652 196.6820 196.9053 199.2032 199.6368 204.6790 206.5143 618.5525 622.2054 626.0608 632.8455 636.1835 637.8919 639.8489 640.0260 641.1690 642.4819 642.9282 643.3469 643.7370 644.9682 646.9691 648.3028 650.2567 650.8696 651.5585 902.4597 1199.7898 1200.5862 1203.4659 1210.0808 -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 -0.280810 -0.448562 -0.401056 -0.410783 -0.104908 0.149295 -0.026294 -0.123625 -0.264027 -0.307759 -0.256849 0.387870 -0.029985 0.086472 -0.225591 -0.265832 -0.040550 -0.093832 -0.075570 -0.070086 -0.135741 -0.137280 0.302557 0.310830 0.115505 0.097850 0.086395 0.093703 0.096132 0.105787 0.097905 0.097408 0.121488 0.141234 0.132339 0.094586 0.087592 0.094288 0.092134 0.098317 0.104376 0.093529 0.099897 0.093856 0.099997 0.078636 0.080953 0.077919 0.080291 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 8.2808 8.4486 8.4011 8.4108 7.1049 5.8507 6.0263 6.1236 6.2640 6.3078 6.2568 5.6121 6.0300 5.9135 6.2256 6.2658 6.0406 6.0938 6.0756 6.0701 6.1357 6.1373 5.6974 5.6892 0.8845 0.9022 0.9136 0.9063 0.9039 0.8942 0.9021 0.9026 0.8785 0.8588 0.8677 0.9054 0.9124 0.9057 0.9079 0.9017 0.8956 0.9065 0.9001 0.9061 0.9000 0.9214 0.9190 0.9221 0.9197 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 -0.2808 -0.4486 -0.4011 -0.4108 -0.1049 0.1493 -0.0263 -0.1236 -0.2640 -0.3078 -0.2568 0.3879 -0.0300 0.0865 -0.2256 -0.2658 -0.0406 -0.0938 -0.0756 -0.0701 -0.1357 -0.1373 0.3026 0.3108 0.1155 0.0978 0.0864 0.0937 0.0961 0.1058 0.0979 0.0974 0.1215 0.1412 0.1323 0.0946 0.0876 0.0943 0.0921 0.0983 0.1044 0.0935 0.0999 0.0939 0.1000 0.0786 0.0810 0.0779 0.0803 2.1101 2.0416 2.1153 2.1027 3.0663 3.7334 3.8509 3.8152 3.8998 3.9093 3.8502 4.1245 3.7129 3.9007 3.9267 3.9465 3.6225 3.6906 3.9152 3.9190 3.9137 3.9167 4.2165 4.2007 1.0031 1.0294 1.0051 1.0020 1.0023 1.0000 1.0108 1.0049 0.9996 0.9918 1.0146 0.9963 1.0075 0.9966 1.0046 0.9980 0.9998 1.0160 1.0046 1.0156 1.0060 1.0071 1.0093 1.0061 1.0095 2.1101 2.0416 2.1153 2.1027 3.0663 3.7334 3.8509 3.8152 3.8998 3.9093 3.8502 4.1245 3.7129 3.9007 3.9267 3.9465 3.6225 3.6906 3.9152 3.9190 3.9137 3.9167 4.2165 4.2007 1.0031 1.0294 1.0051 1.0020 1.0023 1.0000 1.0108 1.0049 0.9996 0.9918 1.0146 0.9963 1.0075 0.9966 1.0046 0.9980 0.9998 1.0160 1.0046 1.0156 1.0060 1.0071 1.0093 1.0061 1.0095 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.1438 0.9024 1.8775 2.0548 2.0310 0.9156 1.1188 1.0990 0.9660 0.8577 0.9408 0.9220 0.9384 0.9417 1.0122 0.9835 1.0229 0.9837 0.9924 0.9926 0.9904 0.9971 0.9925 1.8535 0.9969 0.9631 0.9621 0.9727 0.9845 0.9801 0.9996 0.9825 1.0034 0.9820 0.9843 1.7298 0.9797 0.9339 0.9777 0.9597 0.9298 1.0015 0.9817 0.9272 1.0022 0.9832 0.9254 1.0072 1.0073 1.0062 1.0076 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 -0.025690282 -1094.900073697997 9.87757 -10.26173 -0.38416 15.39160 -15.49197 -0.10036 11.90347 -10.67238 1.23108 1.29353 3.28789