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:.6888,-.7718,-.2459;2.299,-1.2569,1.2189;-1.8529,-2.5496,-1.7002;-1.8629,.6071,1.567;-1.545,-1.1479,.1048;4.2641,.1353,-.7331;3.6208,1.2763,-.0251;2.7508,.182,-.6543;4.8226,.409,-2.1106;5.0674,-.8924,.0254;3.7026,1.4624,1.4455;1.9439,-.6892,.2139;2.7648,2.0599,2.185;-.2424,-1.545,.5073;2.9346,2.2505,3.6607;1.473,2.5671,1.6225;-3.4743,-.8486,-1.116;-3.4714,.0848,-.1635;-4.5536,-1.0449,-2.1136;-4.5317,1.1006,.0424;-5.7942,-.2593,-1.6828;-5.4436,1.1423,-1.185;-2.2283,-1.6464,-.999;-2.2311,-.0612,.6356;3.5689,2.2018,-.5932;2.2454,.4736,-1.5676;5.8459,.7842,-2.0421;4.8429,-.5008,-2.714;4.2343,1.1523,-2.6506;5.0336,-1.8581,-.4825;6.1132,-.5792,.0586;4.7402,-1.047,1.0493;4.6042,1.1096,1.938;-.1293,-1.372,1.5767;-.1037,-2.6071,.3044;2.9163,3.3112,3.9256;2.1145,1.7819,4.2114;3.8706,1.8284,4.0266;.6281,2.0126,2.0399;1.3158,3.6143,1.8946;1.4137,2.4935,.5381;-4.203,-.7126,-3.0962;-4.7826,-2.108,-2.221;-5.1018,.8508,.9432;-4.0862,2.0804,.2318;-6.4933,-.1951,-2.5176;-6.3071,-.807,-.8869;-6.3541,1.6929,-.9444;-4.9453,1.6971,-1.9852; 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 2104.6675631575 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 1.494e-05 Time for diagonalization 0.472 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.290 sec Total time needed 0.773 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:.6888,-.7718,-.2459;2.299,-1.2569,1.2189;-1.8529,-2.5496,-1.7002;-1.8629,.6071,1.567;-1.545,-1.1479,.1048;4.2641,.1353,-.7331;3.6208,1.2763,-.0251;2.7508,.182,-.6543;4.8226,.409,-2.1106;5.0674,-.8924,.0254;3.7026,1.4624,1.4455;1.9439,-.6892,.2139;2.7648,2.0599,2.185;-.2424,-1.545,.5073;2.9346,2.2505,3.6607;1.473,2.5671,1.6225;-3.4743,-.8486,-1.116;-3.4714,.0848,-.1635;-4.5536,-1.0449,-2.1136;-4.5317,1.1006,.0424;-5.7942,-.2593,-1.6828;-5.4436,1.1423,-1.185;-2.2283,-1.6464,-.999;-2.2312,-.0612,.6356;3.5689,2.2018,-.5932;2.2454,.4736,-1.5676;5.8459,.7842,-2.0421;4.8429,-.5008,-2.714;4.2343,1.1523,-2.6506;5.0336,-1.8581,-.4825;6.1132,-.5792,.0586;4.7402,-1.047,1.0493;4.6042,1.1096,1.938;-.1293,-1.372,1.5767;-.1037,-2.6071,.3044;2.9163,3.3112,3.9256;2.1145,1.7819,4.2114;3.8706,1.8284,4.0266;.6281,2.0126,2.0399;1.3158,3.6143,1.8946;1.4137,2.4935,.5381;-4.203,-.7126,-3.0962;-4.7826,-2.108,-2.221;-5.1018,.8508,.9432;-4.0862,2.0804,.2318;-6.4933,-.1951,-2.5176;-6.3071,-.807,-.8869;-6.3541,1.6929,-.9444;-4.9453,1.6971,-1.9852; 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:.6888,-.7718,-.2459;2.299,-1.2569,1.2189;-1.8529,-2.5496,-1.7002;-1.8629,.6071,1.567;-1.545,-1.1479,.1048;4.2641,.1353,-.7331;3.6208,1.2763,-.0251;2.7508,.182,-.6543;4.8226,.409,-2.1106;5.0674,-.8924,.0254;3.7026,1.4624,1.4455;1.9439,-.6892,.2139;2.7648,2.0599,2.185;-.2424,-1.545,.5073;2.9346,2.2505,3.6607;1.473,2.5671,1.6225;-3.4743,-.8486,-1.116;-3.4714,.0848,-.1635;-4.5536,-1.0449,-2.1136;-4.5317,1.1006,.0424;-5.7942,-.2593,-1.6828;-5.4436,1.1423,-1.185;-2.2283,-1.6464,-.999;-2.2311,-.0612,.6356;3.5689,2.2018,-.5932;2.2454,.4736,-1.5676;5.8459,.7842,-2.0421;4.8429,-.5008,-2.714;4.2343,1.1523,-2.6506;5.0336,-1.8581,-.4825;6.1132,-.5792,.0586;4.7402,-1.047,1.0493;4.6042,1.1096,1.938;-.1293,-1.372,1.5767;-.1037,-2.6071,.3044;2.9163,3.3112,3.9256;2.1145,1.7819,4.2114;3.8706,1.8284,4.0266;.6281,2.0126,2.0399;1.3158,3.6143,1.8946;1.4137,2.4935,.5381;-4.203,-.7126,-3.0962;-4.7826,-2.108,-2.221;-5.1018,.8508,.9432;-4.0862,2.0804,.2318;-6.4933,-.1951,-2.5176;-6.3071,-.807,-.8869;-6.3541,1.6929,-.9444;-4.9453,1.6971,-1.9852; 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 2890 GEPOL Volume 2301.7850 GEPOL Surface-area 1352.4217 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -1094.87721595 2104.66756316 -3199.54477911 -5671.81861018 2472.27383106 -0.03026436 -2184.92237056 1090.04515461 2.00443290 89.000104090072 89.000104090072 178.000208180144 -105.971126573667 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 -524.7734 -523.6067 -523.5984 -523.0271 -393.9313 -283.3722 -283.3278 -283.3228 -282.3393 -280.4707 -280.4459 -280.2307 -279.9666 -279.9573 -279.7876 -279.7843 -279.7186 -279.4845 -279.4791 -279.2182 -279.1723 -279.1265 -279.1236 -279.0949 -33.7929 -32.9007 -32.3872 -31.1699 -29.7424 -27.3214 -26.8379 -25.1321 -24.9332 -23.8915 -23.4322 -22.8994 -22.0179 -21.7650 -21.7259 -21.3104 -20.9207 -20.0996 -19.7597 -18.7576 -18.3862 -17.9528 -17.8544 -17.1632 -16.6779 -16.5217 -16.3056 -16.0543 -16.0115 -15.5979 -15.4459 -15.3792 -15.0960 -14.8647 -14.6450 -14.5976 -14.4798 -14.3269 -14.0309 -13.9590 -13.9420 -13.8103 -13.6488 -13.5143 -13.1338 -13.0049 -12.9698 -12.8402 -12.7361 -12.4492 -12.2841 -12.0040 -11.6639 -11.6140 -11.4583 -11.3960 -11.2881 -11.0056 -10.8221 -10.5375 -10.3312 -10.2294 -10.0390 -9.6324 -8.6217 -0.4058 1.9334 2.7896 3.0793 3.1679 3.3527 3.7519 3.9683 4.0426 4.1540 4.2856 4.3870 4.5470 4.7700 4.8128 4.9655 5.0709 5.1184 5.2509 5.2886 5.3478 5.3690 5.5497 5.6205 5.7845 5.8957 6.0332 6.1542 6.2392 6.4315 6.4790 6.5271 6.6269 6.6738 6.7888 6.8647 6.9403 6.9763 7.0978 7.2087 7.3678 7.4342 7.5349 7.6179 7.7096 7.8521 7.9360 8.0453 8.1487 8.2232 8.3053 8.5972 8.7640 8.8130 8.9382 9.2211 9.2672 9.3538 9.5193 9.6151 9.7473 9.8420 10.0174 10.0890 10.3992 10.4286 10.6522 10.7652 10.7893 10.9687 11.0317 11.3091 11.3829 11.4992 11.5218 11.5646 11.6948 12.0207 12.2967 12.3212 12.4501 12.4964 12.6015 12.6687 12.8125 12.9482 13.0501 13.1386 13.2800 13.3756 13.3963 13.4604 13.5572 13.5938 13.7229 13.8177 13.8897 14.0278 14.1150 14.1606 14.2638 14.2775 14.3315 14.3691 14.4336 14.5977 14.6411 14.6651 14.7407 14.8544 14.9894 15.0154 15.1607 15.2057 15.3469 15.3920 15.4505 15.4855 15.5204 15.5962 15.6774 15.8440 15.8695 15.9994 16.0880 16.2668 16.3763 16.5328 16.6374 16.8382 16.9927 17.1159 17.1956 17.2979 17.3652 17.4348 17.5725 17.6442 17.9156 18.1304 18.1836 18.3443 18.4515 18.7636 18.8247 19.0877 19.3047 19.3695 19.4757 19.6513 19.8072 20.0442 20.2043 20.2394 20.4833 20.7316 20.8603 20.9421 21.0052 21.1660 21.3560 21.5132 21.7110 21.8242 22.0588 22.2649 22.3612 22.4408 22.6605 22.8160 22.9271 23.0861 23.3057 23.3711 23.6558 23.7400 23.9093 24.0922 24.2365 24.3422 24.4212 24.6624 24.9271 24.9846 25.1171 25.3158 25.5209 25.6227 25.7634 25.8514 25.9396 26.1398 26.3289 26.4523 26.7945 26.9457 27.1145 27.4050 27.5517 27.8118 28.0734 28.1685 28.2698 28.3295 28.4580 28.6793 28.8387 28.8760 29.0066 29.2883 29.3125 29.3934 29.5423 29.6993 29.7341 29.8244 29.9548 30.1703 30.3521 30.3849 30.5060 30.5162 30.6149 30.7443 30.9432 31.0633 31.0847 31.2045 31.5343 31.5707 31.7141 31.7640 31.9010 32.0808 32.2933 32.4155 32.6259 32.8535 32.8903 32.9806 33.1131 33.1923 33.3149 33.4619 33.5713 33.6336 33.6525 33.8299 33.9237 34.0599 34.1640 34.4248 34.5251 34.5805 34.6847 34.7560 34.9903 35.2214 35.5508 35.6768 35.7780 35.8812 36.0383 36.1951 36.3698 36.5007 36.6919 36.8441 37.0776 37.2044 37.2355 37.4178 37.5536 37.7268 37.7520 37.9423 38.0696 38.3285 38.7203 38.7843 38.9761 39.1301 39.3894 39.4083 39.6176 39.8576 40.0085 40.0571 40.1374 40.3460 40.4231 40.4675 40.6605 40.8505 40.8806 41.2309 41.4005 41.4608 41.6291 41.8518 41.9584 41.9712 42.1066 42.2795 42.3321 42.4283 42.5792 42.6573 42.8583 43.0059 43.1419 43.2374 43.3647 43.5302 43.5539 43.6210 43.7746 43.8130 43.8816 43.9982 44.1334 44.3735 44.4021 44.6145 44.6435 44.8457 44.9452 45.1163 45.3214 45.5146 45.7500 45.9787 46.1246 46.3054 46.4515 46.5982 46.6553 46.7890 46.8821 47.0833 47.1087 47.2115 47.4399 47.6300 47.7502 47.8362 47.9161 48.2835 48.3719 48.5184 48.6582 48.9022 49.0447 49.3820 49.5360 49.8143 49.9581 50.1776 50.4431 50.4921 50.6593 51.0648 51.1641 51.4304 51.6393 51.8838 51.9453 52.3571 52.8640 53.0899 53.3342 53.5235 53.7295 54.0473 54.0788 54.4169 54.5502 54.7282 55.5147 55.7205 56.1260 56.5342 56.8610 56.9722 57.3973 57.5140 57.6648 57.9522 58.1234 58.2252 58.6641 58.7468 58.9316 59.2732 59.4923 59.8375 60.2172 60.4157 60.7129 60.9099 61.2546 61.4881 61.9170 62.0054 62.1433 62.4411 62.6030 62.9173 63.1395 63.1771 63.3455 63.6407 63.8720 64.1463 64.3764 64.7090 64.7741 65.3084 65.4909 65.9176 65.9931 66.2546 66.6125 66.7827 67.2947 67.6216 67.8635 68.0701 68.2245 68.4770 68.6899 69.1755 69.6601 70.0478 70.2292 70.5223 70.6185 70.8530 70.9932 71.1481 71.3864 71.6981 71.7374 71.8984 72.0769 72.3243 72.5552 72.7556 72.7801 72.8937 73.3284 73.4076 73.6773 73.7268 74.0101 74.1625 74.4741 74.8741 75.0689 75.2350 75.3298 75.4390 75.6386 75.6731 75.8843 76.0945 76.2383 76.6831 76.9770 77.0516 77.3503 77.4933 77.6257 77.6867 77.7759 78.1569 78.3205 78.5632 78.7579 78.7776 78.8223 79.0732 79.1126 79.2023 79.3856 79.6269 79.7477 79.8349 79.9962 80.2832 80.3819 80.6119 80.6971 80.8401 80.9583 81.0194 81.1087 81.2514 81.3803 81.6326 81.6400 81.8628 82.0449 82.3225 82.3564 82.4777 82.5408 83.0017 83.0471 83.0837 83.2957 83.6871 83.7320 83.8370 83.9040 84.1161 84.2297 84.4688 84.4936 84.7131 84.8481 84.9179 85.0194 85.1303 85.2314 85.4067 85.5419 85.7296 85.7605 85.9760 86.0940 86.2909 86.4561 86.4773 86.6539 86.7858 86.9376 86.9869 87.2474 87.4135 87.4314 87.6504 87.7210 87.8080 87.9067 88.0834 88.1711 88.3281 88.4644 88.5182 88.8272 88.9382 88.9744 89.0246 89.1894 89.3772 89.4483 89.6038 89.8446 89.9501 90.1222 90.2279 90.3542 90.5760 90.6625 90.7394 91.0052 91.1189 91.2542 91.3859 91.6351 91.6962 91.9832 92.0540 92.1248 92.1810 92.4373 92.4769 92.6313 92.9041 92.9721 93.1271 93.3177 93.4249 93.6931 93.9530 94.0495 94.1553 94.2610 94.3925 94.5341 94.6788 94.7917 94.8590 95.0992 95.1643 95.2377 95.3693 95.5026 95.7334 95.9197 96.0582 96.1695 96.3595 96.6018 96.6258 96.8387 96.9732 97.1122 97.2300 97.2906 97.3665 97.6758 97.7750 97.9371 97.9916 98.1499 98.3361 98.5105 98.6084 98.9901 99.1031 99.1738 99.3503 99.5305 99.6798 99.9284 100.0164 100.1001 100.2430 100.3035 100.3653 100.3963 100.7815 100.8121 100.9880 101.2890 101.3444 101.4964 101.9302 102.0088 102.1700 102.2867 102.5028 102.5464 102.6809 102.7666 103.0387 103.1458 103.2716 103.4725 103.4934 103.7246 103.8394 103.9109 104.1200 104.3281 104.4436 104.5213 104.7248 104.9266 105.0805 105.2698 105.5408 105.7985 105.8829 106.2293 106.3786 106.7797 106.9187 106.9801 107.2644 107.4461 107.6091 107.7392 107.8779 108.3098 108.4225 108.4780 108.6670 108.7708 109.0009 109.1331 109.3112 109.4173 109.6696 109.8944 109.9343 110.0669 110.3324 110.4076 110.5609 110.7366 110.8114 110.9678 111.0074 111.1687 111.3104 111.4100 111.6467 111.8175 111.9832 112.0532 112.2995 112.3415 112.6888 112.7972 113.0615 113.1149 113.3152 113.3974 113.6682 113.9378 113.9511 114.1201 114.1557 114.3804 114.5756 114.7059 114.8204 114.9723 115.1085 115.2778 115.3238 115.3836 115.6364 115.6452 115.8232 115.8951 116.0810 116.0885 116.4052 116.4896 116.6865 116.8325 116.9385 117.0573 117.1845 117.4049 117.4831 117.6458 117.7567 117.9258 117.9990 118.1715 118.3175 118.6633 118.8322 118.9592 118.9989 119.1448 119.3414 119.4189 119.7241 120.0357 120.2255 120.2455 120.5222 120.6436 120.7825 121.3118 121.3855 121.4425 121.8508 122.2739 122.3079 122.4081 122.5099 122.9542 123.0062 123.3647 123.6744 123.7598 123.8386 124.0888 124.2774 124.3608 124.8777 125.3167 125.3964 125.5185 125.7059 126.0395 126.1813 126.4073 126.6160 126.8112 126.9899 127.4245 127.6058 127.6872 127.8528 128.1563 128.5715 128.7734 128.9914 129.0994 129.3743 129.4507 129.7112 129.9663 130.1741 130.3058 130.3983 130.5853 130.7598 131.0794 131.2634 131.5408 131.6486 131.6829 132.1330 132.3445 132.4716 132.7093 133.0993 133.2248 133.8609 133.9343 134.0424 134.2373 134.4008 134.5495 134.7042 134.9397 135.2389 135.5659 135.6601 136.0642 136.1872 136.7622 136.8905 137.3005 137.6975 137.8204 137.9761 138.2275 138.9088 139.1832 139.2438 139.5060 139.6686 139.8741 139.9535 140.1133 140.4727 140.7953 140.9642 141.4218 141.4908 141.7082 142.0004 142.2858 142.3233 142.4350 142.7645 143.3060 143.5218 143.7111 143.9124 143.9875 144.0497 144.3500 144.6704 144.8629 144.9929 145.2975 145.4247 145.6328 145.7805 145.9123 146.0834 146.3165 146.3490 146.6295 146.7992 146.8842 147.0793 147.2914 147.7692 148.1366 148.2517 148.2578 148.4367 148.7097 148.9422 149.1299 149.3248 149.4942 149.7823 149.9364 150.1273 150.3256 150.4280 150.5290 150.7389 150.8324 151.0332 151.1972 151.3414 151.4564 151.4930 151.7167 152.2549 152.3604 152.5441 152.7604 152.8943 153.4364 153.5985 153.8432 153.8874 154.4067 154.6079 154.6630 154.7412 155.3603 155.5609 155.6959 155.8245 156.3355 156.4517 156.6853 157.0684 157.3063 157.5917 157.7096 157.8167 157.9714 158.3302 158.9097 159.1522 159.3660 159.3990 159.7238 159.9125 159.9991 160.2673 160.4774 160.6029 161.3077 161.7480 162.8327 163.4587 165.0205 165.6116 166.0803 166.7734 168.6696 170.7869 171.0198 171.5397 172.8777 173.5305 175.8265 176.0952 176.4865 176.6520 178.1903 178.7923 180.3045 181.6567 181.8998 182.1089 185.9064 187.0947 187.5473 188.0610 188.4119 189.3034 192.3882 192.8268 193.2301 195.4668 196.0922 196.6558 196.8790 199.3319 199.6573 205.4343 207.1289 618.0973 622.2305 625.6519 632.7150 635.8172 638.1006 639.8224 640.4686 640.9926 642.3238 642.9131 643.0219 643.8354 645.1973 646.9146 647.7826 649.7500 650.5642 651.5271 902.4941 1199.1085 1200.3857 1201.5925 1211.2488 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 -0.278830 -0.461627 -0.407616 -0.417796 -0.109699 0.142765 -0.023497 -0.100453 -0.263832 -0.299102 -0.280825 0.389132 -0.003903 0.079469 -0.223437 -0.269690 -0.083630 -0.047204 -0.073287 -0.070315 -0.134868 -0.136418 0.323805 0.312182 0.111381 0.095232 0.093621 0.095627 0.085764 0.100253 0.097427 0.096111 0.120311 0.126099 0.138106 0.094944 0.094447 0.088650 0.093762 0.107037 0.092468 0.101045 0.093998 0.100807 0.093728 0.081242 0.077541 0.080842 0.078232 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 8.2788 8.4616 8.4076 8.4178 7.1097 5.8572 6.0235 6.1005 6.2638 6.2991 6.2808 5.6109 6.0039 5.9205 6.2234 6.2697 6.0836 6.0472 6.0733 6.0703 6.1349 6.1364 5.6762 5.6878 0.8886 0.9048 0.9064 0.9044 0.9142 0.8997 0.9026 0.9039 0.8797 0.8739 0.8619 0.9051 0.9056 0.9113 0.9062 0.8930 0.9075 0.8990 0.9060 0.8992 0.9063 0.9188 0.9225 0.9192 0.9218 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 -0.2788 -0.4616 -0.4076 -0.4178 -0.1097 0.1428 -0.0235 -0.1005 -0.2638 -0.2991 -0.2808 0.3891 -0.0039 0.0795 -0.2234 -0.2697 -0.0836 -0.0472 -0.0733 -0.0703 -0.1349 -0.1364 0.3238 0.3122 0.1114 0.0952 0.0936 0.0956 0.0858 0.1003 0.0974 0.0961 0.1203 0.1261 0.1381 0.0949 0.0944 0.0887 0.0938 0.1070 0.0925 0.1010 0.0940 0.1008 0.0937 0.0812 0.0775 0.0808 0.0782 2.0984 2.0260 2.1094 2.0944 3.1179 3.7334 3.8277 3.8455 3.9007 3.8931 3.8651 4.0908 3.6968 3.8965 3.9261 3.9455 3.6992 3.6756 3.9211 3.9171 3.9130 3.9170 4.2131 4.1923 1.0062 1.0280 1.0025 1.0023 1.0046 1.0010 0.9985 1.0157 1.0024 1.0092 0.9999 0.9967 0.9966 1.0071 1.0075 1.0004 1.0065 1.0053 1.0149 1.0048 1.0155 1.0095 1.0069 1.0096 1.0067 2.0984 2.0260 2.1094 2.0944 3.1179 3.7334 3.8277 3.8455 3.9007 3.8931 3.8651 4.0908 3.6968 3.8965 3.9261 3.9455 3.6992 3.6756 3.9211 3.9171 3.9130 3.9170 4.2131 4.1923 1.0062 1.0280 1.0025 1.0023 1.0046 1.0010 0.9985 1.0157 1.0024 1.0092 0.9999 0.9967 0.9966 1.0071 1.0075 1.0004 1.0065 1.0053 1.0149 1.0048 1.0155 1.0095 1.0069 1.0096 1.0067 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 1.1439 0.8807 1.8533 2.0377 2.0086 0.9671 1.1085 1.1171 0.9584 0.9119 0.9357 0.9197 0.8753 0.9554 1.0141 1.0011 1.0303 0.9942 0.9947 0.9833 0.9903 0.9901 1.0000 1.8421 1.0020 0.9615 0.9542 0.9719 0.9708 0.9817 0.9807 1.0001 0.9824 0.9836 1.0037 1.7397 0.9788 0.9634 0.9771 0.9587 0.9296 0.9833 0.9985 0.9301 0.9819 1.0006 0.9259 1.0071 1.0066 1.0075 1.0066 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 -0.023887322 -1094.901103275588 10.68856 -12.38010 -1.69154 13.99809 -12.86946 1.12863 0.23271 -1.33259 -1.09988 2.31190 5.87638