Orca 5.0.2 RELEASE 1 2 3 11s6p2d1f 11s6p2d1f 5s2p1d 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 49 50 O O O C C C 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 H 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 312.2335999999998 AuxInfo=1/0/N:12,13,7,8,25,23,24,21,22,9,19,16,17,14,11,20,15,18,5,6,10,4,2,3,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,23.1/rA:51nOO1OCCCCCC3C3C3CCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s3s15;s3s16;s18;s19;s20;s20;s21;s22;s23s24;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s19;s21;s22;s23;s24;s25;/rC:-1.6258,1.7969,.061;-1.7252,-.1709,-.9958;2.4695,.8048,.5179;-4.5271,-.2805,.4494;-3.5414,-1.1573,1.1615;-3.173,.276,.8608;-4.8389,-.5662,-.9982;-5.7102,.2498,1.2212;-3.7324,-1.5768,2.5707;-2.1179,.5702,-.1272;-4.1174,-2.7932,2.9664;-4.2712,-3.123,4.42;-4.4317,-3.9166,2.0265;-.6183,2.2731,-.8269;.7493,1.8428,-.4222;1.9676,2.4425,-.8766;1.1206,.8537,.4227;2.978,1.773,-.2733;4.4578,1.8951,-.3541;5.074,.8381,-1.2396;5.2748,-.4578,-.7704;5.4261,1.1379,-2.5522;5.8119,-1.4334,-1.5988;5.9682,.1652,-3.3815;6.1598,-1.1251,-2.9073;-3.054,-1.8837,.5178;-3.2033,.9677,1.6963;-5.7036,-1.2303,-1.0598;-5.0913,.3493,-1.5376;-4.0207,-1.0521,-1.5253;-6.1164,1.1427,.7416;-6.5068,-.4966,1.2577;-5.4593,.5126,2.2484;-3.5465,-.8249,3.3326;-4.0379,-2.2733,5.0619;-3.6177,-3.9509,4.7076;-5.2919,-3.4446,4.6437;-5.4539,-4.2702,2.1848;-3.7796,-4.7743,2.2101;-4.3386,-3.6441,.9767;-.6913,3.3605,-.7873;-.8349,1.9736,-1.8553;2.0663,3.2697,-1.5625;.5726,.1401,1.018;4.8886,1.8423,.6495;4.6914,2.8861,-.7453;5.0142,-.7082,.2513;5.277,2.1436,-2.9281;5.9624,-2.4365,-1.2201;6.2418,.417,-4.3984;6.5823,-1.8853,-3.5518; 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 1511 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 182 Dim 1139 ENuc 2029.2788197356 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 8.085e-06 Time for diagonalization 0.273 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.265 sec Total time needed 0.545 sec 8 8 8 6 6 6 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 1 312.2335999999998 AuxInfo=1/0/N:12,13,7,8,25,23,24,21,22,9,19,16,17,14,11,20,15,18,5,6,10,4,2,3,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,23.1/rA:51nOO1OCCCCCC3C3C3CCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s3s15;s3s16;s18;s19;s20;s20;s21;s22;s23s24;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s19;s21;s22;s23;s24;s25;/rC:-1.6258,1.7969,.061;-1.7252,-.1709,-.9958;2.4695,.8048,.5179;-4.5271,-.2805,.4494;-3.5414,-1.1573,1.1615;-3.173,.276,.8608;-4.8389,-.5662,-.9982;-5.7102,.2498,1.2212;-3.7324,-1.5768,2.5707;-2.1179,.5702,-.1272;-4.1174,-2.7932,2.9664;-4.2712,-3.123,4.42;-4.4317,-3.9166,2.0265;-.6183,2.2731,-.8269;.7493,1.8428,-.4222;1.9676,2.4425,-.8766;1.1206,.8537,.4227;2.978,1.773,-.2733;4.4578,1.8951,-.3541;5.074,.8381,-1.2396;5.2748,-.4578,-.7704;5.4261,1.1379,-2.5522;5.8119,-1.4334,-1.5988;5.9682,.1652,-3.3815;6.1598,-1.1251,-2.9073;-3.054,-1.8837,.5178;-3.2033,.9677,1.6963;-5.7036,-1.2303,-1.0598;-5.0913,.3493,-1.5376;-4.0207,-1.0521,-1.5253;-6.1164,1.1427,.7416;-6.5068,-.4966,1.2577;-5.4593,.5126,2.2484;-3.5465,-.8249,3.3326;-4.0379,-2.2733,5.0619;-3.6177,-3.9509,4.7076;-5.2919,-3.4446,4.6437;-5.4539,-4.2702,2.1848;-3.7796,-4.7743,2.2101;-4.3386,-3.6441,.9767;-.6913,3.3605,-.7873;-.8349,1.9736,-1.8553;2.0663,3.2697,-1.5625;.5726,.1401,1.018;4.8886,1.8423,.6495;4.6914,2.8861,-.7453;5.0142,-.7082,.2513;5.277,2.1436,-2.9281;5.9624,-2.4365,-1.2201;6.2418,.417,-4.3984;6.5823,-1.8853,-3.5518; 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" 312.2335999999998 AuxInfo=1/0/N:12,13,7,8,25,23,24,21,22,9,19,16,17,14,11,20,15,18,5,6,10,4,2,3,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,23.1/rA:51nOO1OCCCCCC3C3C3CCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s3s15;s3s16;s18;s19;s20;s20;s21;s22;s23s24;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s19;s21;s22;s23;s24;s25;/rC:-1.6258,1.7969,.061;-1.7252,-.1709,-.9958;2.4695,.8048,.5179;-4.5271,-.2805,.4494;-3.5414,-1.1573,1.1615;-3.173,.276,.8608;-4.8389,-.5662,-.9982;-5.7102,.2498,1.2212;-3.7324,-1.5768,2.5707;-2.1179,.5702,-.1272;-4.1174,-2.7932,2.9664;-4.2712,-3.123,4.42;-4.4317,-3.9166,2.0265;-.6183,2.2731,-.8269;.7493,1.8428,-.4222;1.9676,2.4425,-.8766;1.1206,.8537,.4227;2.978,1.773,-.2733;4.4578,1.8951,-.3541;5.074,.8381,-1.2396;5.2748,-.4578,-.7704;5.4261,1.1379,-2.5522;5.8119,-1.4334,-1.5988;5.9682,.1652,-3.3815;6.1598,-1.1251,-2.9073;-3.054,-1.8837,.5178;-3.2033,.9677,1.6963;-5.7036,-1.2303,-1.0598;-5.0913,.3493,-1.5376;-4.0207,-1.0521,-1.5253;-6.1164,1.1427,.7416;-6.5068,-.4966,1.2577;-5.4593,.5126,2.2484;-3.5465,-.8249,3.3326;-4.0379,-2.2733,5.0619;-3.6177,-3.9509,4.7076;-5.2919,-3.4446,4.6437;-5.4539,-4.2702,2.1848;-3.7796,-4.7743,2.2101;-4.3386,-3.6441,.9767;-.6913,3.3605,-.7873;-.8349,1.9736,-1.8553;2.0663,3.2697,-1.5625;.5726,.1401,1.018;4.8886,1.8423,.6495;4.6914,2.8861,-.7453;5.0142,-.7082,.2513;5.277,2.1436,-2.9281;5.9624,-2.4365,-1.2201;6.2418,.417,-4.3984;6.5823,-1.8853,-3.5518; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O C H 1.6280 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 3041 GEPOL Volume 2443.2467 GEPOL Surface-area 1444.8936 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 40.1s) Overall time for CPCM initialization 40.2s -1079.75281778 2029.27881974 -3109.03163751 -5497.85921893 2388.82758142 -0.02690762 -2154.61234089 1074.85952311 2.00455250 90.999929029306 90.999929029306 181.999858058611 -106.461678614165 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 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -525.1494 -524.7021 -523.0173 -283.3214 -281.2968 -281.1352 -280.7918 -280.2807 -279.9991 -279.9434 -279.8783 -279.8547 -279.8098 -279.7272 -279.6613 -279.6585 -279.6154 -279.6085 -279.6059 -279.4266 -279.2699 -279.1768 -279.1668 -279.1547 -279.1309 -33.6569 -33.5901 -31.0735 -27.3451 -26.7256 -25.4821 -25.1433 -24.9827 -23.6766 -23.4519 -23.3023 -22.9366 -21.9710 -21.8072 -21.6966 -21.5752 -20.3349 -19.4745 -19.0918 -18.9838 -18.5259 -17.9942 -17.4339 -17.4019 -17.1312 -16.7196 -16.2190 -16.0730 -15.6572 -15.6237 -15.3421 -15.1583 -15.0896 -14.9389 -14.6974 -14.5785 -14.3886 -14.2302 -14.0338 -13.9986 -13.7653 -13.4811 -13.4285 -13.3325 -13.1766 -13.0469 -12.8773 -12.8358 -12.7820 -12.6336 -12.5090 -12.4274 -12.3309 -12.0221 -11.8125 -11.6542 -11.4347 -11.1427 -10.6805 -10.4732 -10.0588 -9.9294 -9.3139 -9.1588 -8.5165 -8.3856 1.6259 1.7225 2.1932 2.5358 2.6054 3.1846 3.5191 3.6907 3.8297 3.9577 4.1209 4.2691 4.3723 4.4283 4.5393 4.7582 4.8261 4.8901 5.1202 5.2581 5.2900 5.3289 5.3998 5.4994 5.5551 5.5997 5.8126 5.9874 6.0421 6.1490 6.1895 6.3426 6.4078 6.4321 6.5426 6.6050 6.6625 6.7685 6.8217 6.8438 6.9379 7.0354 7.2170 7.4067 7.5317 7.5449 7.6143 7.8188 7.8853 7.9760 8.0842 8.1672 8.3004 8.3959 8.4714 8.7184 8.7710 9.0468 9.0612 9.0763 9.1213 9.4420 9.4862 9.5456 9.7145 9.8868 10.1189 10.1784 10.2951 10.4363 10.5118 10.5414 10.8064 10.8371 10.8864 10.9880 11.1403 11.1990 11.4026 11.4834 11.5395 11.5953 11.6953 11.8008 11.9545 11.9994 12.1174 12.2485 12.2994 12.3763 12.4265 12.4636 12.6322 12.6763 12.8354 12.9155 13.0247 13.1169 13.2601 13.3720 13.4825 13.5266 13.6146 13.7074 13.7228 13.8376 13.9006 13.9653 14.1050 14.1712 14.1970 14.2681 14.4294 14.6183 14.7421 14.8284 14.8394 14.8663 14.9671 15.0711 15.0895 15.2504 15.3392 15.4377 15.4854 15.5857 15.6971 15.7493 15.8709 15.9388 16.0544 16.1196 16.1446 16.3400 16.3605 16.4475 16.5162 16.6301 16.7294 16.8269 16.9315 17.0834 17.2824 17.3585 17.4037 17.5822 17.7354 17.8050 17.8252 17.9026 18.0246 18.2501 18.5590 18.6620 18.8771 19.0496 19.2614 19.3779 19.4634 19.6991 19.7285 19.9666 20.1089 20.2487 20.3760 20.4581 20.6019 20.6982 20.7882 20.8621 20.9013 21.2490 21.3180 21.4426 21.6267 21.7668 21.8759 22.2089 22.2969 22.4256 22.5786 22.6940 22.9568 23.0731 23.2157 23.2774 23.4158 23.5893 23.7679 23.8332 23.9606 24.2256 24.3714 24.5523 24.5849 24.7497 24.8441 24.8862 25.0623 25.1440 25.3462 25.6697 25.8360 26.1702 26.3826 26.4680 26.5124 26.7267 26.8000 26.9328 27.0593 27.2240 27.3647 27.3858 27.6488 27.7411 27.9019 28.2808 28.4052 28.6776 28.6995 28.7494 28.8114 28.9218 29.0021 29.0319 29.1088 29.2296 29.2765 29.3503 29.4592 29.6831 29.7365 29.8822 29.9453 30.0138 30.1356 30.3732 30.4341 30.5651 30.6464 30.7931 30.9004 31.2803 31.3394 31.4117 31.5609 31.7337 31.7850 31.8680 32.0491 32.3015 32.3846 32.4438 32.7733 32.9387 32.9824 33.1762 33.2215 33.3359 33.3808 33.5079 33.7137 33.7868 34.1341 34.1614 34.3474 34.5216 34.6941 34.8315 34.8849 35.0911 35.2125 35.4535 35.6382 35.7257 35.7853 35.8297 36.0594 36.1748 36.2995 36.5038 36.6540 36.7898 36.8681 37.0070 37.0249 37.1582 37.2251 37.4939 37.7690 37.7772 37.8808 38.1036 38.3330 38.4807 38.5515 38.6177 38.6513 38.7742 39.0208 39.0494 39.1516 39.3438 39.4560 39.5191 39.6774 39.7718 39.9978 40.1177 40.1817 40.3084 40.4930 40.7123 40.9248 40.9547 41.2380 41.3186 41.4426 41.5798 41.8640 41.8959 41.9731 42.0814 42.2200 42.2670 42.3357 42.4704 42.5656 42.6860 42.7730 42.8658 43.0109 43.1713 43.4157 43.4561 43.4627 43.6546 43.8182 43.8952 44.0102 44.1976 44.2336 44.2915 44.3777 44.4311 44.6547 44.6729 45.0413 45.0555 45.0903 45.2652 45.4447 45.6508 45.8565 46.0068 46.0835 46.2081 46.3162 46.4257 46.5441 46.6842 46.7339 46.9139 47.0969 47.2006 47.5302 47.5770 47.6935 47.9716 48.0804 48.3931 48.5721 48.6069 48.8098 49.0789 49.3631 49.4643 49.5310 49.7526 49.9509 49.9918 50.0659 50.4093 50.7595 50.8898 51.0476 51.2176 51.4421 51.9930 52.0293 52.3025 52.7442 52.8394 53.2896 53.4604 53.5314 53.9830 54.2950 54.5574 54.8321 54.8669 55.3565 55.4804 55.6729 55.7775 56.3196 56.4753 56.6733 56.9815 57.1998 57.3482 57.5045 57.5862 57.9655 58.2642 58.4867 58.5467 58.6486 58.9627 59.1690 59.3700 59.7552 59.9141 60.0278 60.3969 60.5394 60.6251 60.6843 61.0815 61.2291 61.8998 61.9602 62.3692 62.4548 62.9064 62.9923 63.1105 63.2123 63.8538 63.9862 64.2818 64.8116 65.0968 65.1911 65.6252 65.7156 66.2948 66.7260 66.9006 67.0215 67.1388 67.3567 67.5345 67.6483 67.7468 68.0476 68.3071 68.8344 69.5294 69.5929 69.8098 69.8842 70.2194 70.3616 70.6366 70.6995 70.7507 71.1132 71.3308 71.5654 71.8129 71.9067 72.1831 72.4035 72.6348 72.7022 73.3074 73.3999 73.4799 73.5737 73.9571 74.1539 74.4586 74.7171 74.7720 74.9632 75.2406 75.3959 75.4887 75.5943 75.6444 75.7765 76.2450 76.4263 76.5015 76.6536 76.8426 76.9935 77.2420 77.3313 77.6494 77.7596 77.9043 77.9983 78.0352 78.3063 78.3974 78.5455 78.7250 78.8498 78.8989 79.1795 79.3671 79.3815 79.4507 79.5641 79.5896 79.6391 79.7394 79.8858 80.2113 80.2569 80.4054 80.5557 80.7517 80.8790 80.9566 81.1928 81.5639 81.5854 81.6771 81.8937 81.9726 82.0625 82.1262 82.2633 82.3889 82.5721 82.6050 82.7776 83.1188 83.2452 83.3286 83.4055 83.5254 83.7103 83.8170 83.8999 84.0597 84.0999 84.2623 84.3131 84.5350 84.5624 84.8691 84.9323 85.0971 85.1638 85.3730 85.4618 85.5406 85.6586 85.7769 85.8436 85.8731 86.0354 86.2336 86.3033 86.4726 86.5839 86.7205 86.8314 87.0146 87.0459 87.0924 87.2716 87.3704 87.5662 87.7003 87.9529 87.9901 88.1563 88.3419 88.3595 88.5510 88.6435 88.8325 88.9250 89.1037 89.1784 89.2640 89.4202 89.4429 89.6033 89.8641 89.9920 90.0142 90.3868 90.4729 90.6420 90.7492 90.9806 91.0699 91.2293 91.3632 91.4196 91.5502 91.7574 91.8858 92.1047 92.1928 92.2841 92.4155 92.5957 92.7536 92.9403 92.9964 93.1659 93.1894 93.2921 93.3672 93.3887 93.5180 93.6403 93.8043 93.8920 93.9998 94.0839 94.2542 94.4300 94.5367 94.6778 94.8757 95.0174 95.0651 95.1455 95.1632 95.3583 95.4620 95.5764 95.7350 95.9183 96.0303 96.2090 96.4445 96.6705 96.7999 96.8236 96.9686 97.1218 97.1864 97.2767 97.3869 97.5154 97.6822 97.8005 97.9281 98.0036 98.3215 98.4006 98.5419 98.8152 98.8631 98.9189 99.0236 99.1936 99.3686 99.5291 99.6157 99.7061 99.8219 100.0319 100.1580 100.2281 100.4557 100.5612 100.6966 100.9258 101.1966 101.3011 101.3414 101.6447 101.6676 101.8690 102.1628 102.2297 102.2532 102.4942 102.5692 102.8032 102.9783 103.3007 103.3164 103.4562 103.5371 103.5933 103.9479 104.0262 104.2487 104.4977 104.5729 104.9138 105.1469 105.2228 105.4097 105.5339 105.6842 105.8024 105.9039 105.9932 106.1867 106.3291 106.4736 106.5093 106.6291 106.9451 107.0076 107.0786 107.3465 107.4726 107.5648 107.6910 107.8737 107.9357 108.2089 108.5197 108.7090 108.9621 109.1014 109.1869 109.2696 109.4229 109.4544 109.5868 109.7631 109.7921 109.8372 110.1107 110.3471 110.4638 110.5006 110.6544 110.7399 110.8472 111.0809 111.1783 111.3040 111.3474 111.5569 111.6277 111.9306 112.1529 112.3274 112.4300 112.5663 112.6548 112.7683 113.1641 113.2436 113.3719 113.6031 113.6888 113.8294 113.9244 114.0304 114.3125 114.4516 114.6066 114.7137 114.8521 114.8644 115.0559 115.2780 115.3373 115.4564 115.6822 115.8918 115.9361 115.9803 116.0429 116.3820 116.5883 116.8525 116.9346 117.0143 117.0825 117.1873 117.2694 117.3951 117.6535 117.6813 117.9095 117.9490 118.1494 118.3592 118.4497 118.5346 118.5914 118.7566 119.0007 119.1139 119.1557 119.2108 119.5049 119.6405 119.7822 119.9668 120.0832 120.2044 120.5150 120.5578 120.7679 120.9657 121.0918 121.2352 121.4552 121.7634 122.0343 122.3451 122.4948 122.6713 122.9006 123.3317 123.3456 123.3942 123.5996 123.9638 124.0319 124.4256 124.6371 124.6511 124.9584 125.3938 125.5313 125.8121 126.2122 126.4059 126.5386 126.6670 126.9630 127.0520 127.4537 127.6948 127.9504 128.1135 128.3631 128.8689 129.1780 129.2462 129.3633 129.3964 129.4868 129.5553 129.7152 129.8039 130.0595 130.3030 130.4050 130.9501 131.1898 131.2428 131.3469 131.7507 131.8292 131.9104 131.9589 132.3412 132.3692 132.8502 133.2488 133.3426 133.4429 133.5602 133.8252 134.0917 134.2775 134.4826 134.5739 134.7921 135.0457 135.1469 135.4159 135.7580 135.9715 136.0785 136.5964 137.0596 137.2870 137.7156 138.1197 138.3786 138.6476 138.7917 139.1295 139.1988 139.5643 139.7867 140.1134 140.3609 140.5563 140.7762 141.0137 141.4270 141.6090 141.8598 142.0129 142.1354 142.4631 142.7480 143.0066 143.1238 143.4562 143.6223 143.9560 144.3495 144.6302 144.6985 144.8647 145.0756 145.2266 145.5369 145.5597 145.7147 145.8482 145.9745 146.0520 146.3292 146.8654 147.0038 147.1911 147.5572 147.8603 147.9700 148.1411 148.1541 148.4410 148.8060 148.9734 149.0472 149.3656 149.6034 149.7116 149.8544 149.8782 150.2085 150.4724 150.8682 151.0046 151.0723 151.4630 151.5713 151.8809 151.9348 152.1464 152.2139 152.6248 152.7872 153.1446 153.1829 153.2957 153.4788 153.6779 154.0786 154.3295 154.6372 155.1688 155.4869 156.0161 156.7708 156.8614 156.9822 157.5122 157.7934 157.9505 158.0170 158.0812 158.7297 159.0592 159.4173 159.6126 159.7605 159.8234 159.9845 160.1951 161.0851 161.3620 161.5035 161.7968 162.3020 162.8387 163.3136 165.1469 165.7620 166.9866 168.0553 168.4887 168.9321 169.8212 171.8685 172.4344 173.5448 176.6005 178.3953 178.9412 179.5071 182.0480 184.5405 185.4057 186.2089 186.6662 188.8298 189.1737 189.2236 189.6619 192.7249 194.2100 195.6961 198.8839 202.0884 204.3744 204.7579 207.1659 618.8081 622.0878 622.1974 628.1738 630.9336 632.5502 634.6474 635.0493 636.6114 636.9852 638.6381 638.9813 639.8757 641.2112 642.2908 643.1542 644.9213 647.7579 650.6083 651.0736 651.6176 659.1748 1199.9816 1206.6680 1210.4559 -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 49 50 O O O C C C 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 H -0.286257 -0.465966 -0.281747 0.148773 -0.006060 -0.125088 -0.296040 -0.264657 -0.262574 0.385777 -0.034165 -0.227011 -0.249737 0.104170 -0.032606 -0.345597 -0.053425 0.218659 -0.068900 0.054974 -0.199825 -0.197226 -0.154296 -0.147710 -0.175801 0.098257 0.088912 0.094917 0.100327 0.093769 0.097868 0.095183 0.089896 0.119439 0.088175 0.094272 0.092967 0.094911 0.097648 0.087764 0.121984 0.114274 0.160182 0.163104 0.116557 0.104672 0.138138 0.139248 0.156455 0.155943 0.157472 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 O O O C C C 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 H 8.2863 8.4660 8.2817 5.8512 6.0061 6.1251 6.2960 6.2647 6.2626 5.6142 6.0342 6.2270 6.2497 5.8958 6.0326 6.3456 6.0534 5.7813 6.0689 5.9450 6.1998 6.1972 6.1543 6.1477 6.1758 0.9017 0.9111 0.9051 0.8997 0.9062 0.9021 0.9048 0.9101 0.8806 0.9118 0.9057 0.9070 0.9051 0.9024 0.9122 0.8780 0.8857 0.8398 0.8369 0.8834 0.8953 0.8619 0.8608 0.8435 0.8441 0.8425 8.0000 8.0000 8.0000 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 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 1.0000 -0.2863 -0.4660 -0.2817 0.1488 -0.0061 -0.1251 -0.2960 -0.2647 -0.2626 0.3858 -0.0342 -0.2270 -0.2497 0.1042 -0.0326 -0.3456 -0.0534 0.2187 -0.0689 0.0550 -0.1998 -0.1972 -0.1543 -0.1477 -0.1758 0.0983 0.0889 0.0949 0.1003 0.0938 0.0979 0.0952 0.0899 0.1194 0.0882 0.0943 0.0930 0.0949 0.0976 0.0878 0.1220 0.1143 0.1602 0.1631 0.1166 0.1047 0.1381 0.1392 0.1565 0.1559 0.1575 2.1287 2.0332 2.2751 3.6745 3.7681 3.8946 3.9015 3.9050 3.8735 4.1976 3.7109 3.9269 3.9431 3.8346 3.6317 4.0139 3.9541 3.6199 3.8226 3.5948 3.9610 3.9452 3.9015 3.8910 3.9053 1.0265 1.0377 1.0009 0.9994 1.0190 1.0030 1.0030 1.0026 1.0078 1.0081 0.9954 0.9965 0.9977 0.9981 1.0084 0.9934 1.0094 1.0060 0.9994 1.0068 1.0107 1.0130 1.0042 0.9911 0.9911 0.9906 2.1287 2.0332 2.2751 3.6745 3.7681 3.8946 3.9015 3.9050 3.8735 4.1976 3.7109 3.9269 3.9431 3.8346 3.6317 4.0139 3.9541 3.6199 3.8226 3.5948 3.9610 3.9452 3.9015 3.8910 3.9053 1.0265 1.0377 1.0009 0.9994 1.0190 1.0030 1.0030 1.0026 1.0078 1.0081 0.9954 0.9965 0.9977 0.9981 1.0084 0.9934 1.0094 1.0060 0.9994 1.0068 1.0107 1.0130 1.0042 0.9911 0.9911 0.9906 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1715 0.8934 1.8991 1.1207 1.0564 0.8909 0.8900 0.9367 0.9297 0.9326 0.9543 1.0015 1.0395 1.0233 0.9909 0.9941 0.9881 0.9912 0.9962 0.9863 1.8482 0.9966 0.9677 0.9624 0.9998 0.9807 0.9824 0.9822 0.9842 1.0047 0.8879 0.9673 1.0286 1.2057 1.6529 1.6400 0.9727 0.9797 0.9234 0.8699 1.0072 1.0156 1.3649 1.3551 1.4469 0.9834 1.4377 0.9887 1.4059 0.9812 1.4082 0.9816 0.9798 0 9 0 13 1 9 2 16 2 17 3 4 3 5 3 6 3 7 4 5 4 8 4 25 5 9 5 26 6 27 6 28 6 29 7 30 7 31 7 32 8 10 8 33 10 11 10 12 11 34 11 35 11 36 12 37 12 38 12 39 13 14 13 40 13 41 14 15 14 16 15 17 15 42 16 43 17 18 18 19 18 44 18 45 19 20 19 21 20 22 20 46 21 23 21 47 22 24 22 48 23 24 23 49 24 50 -0.021985008 -1079.774802783773 -27.87116 27.32393 -0.54723 -12.94287 13.66608 0.72321 9.61061 -9.15843 0.45218 1.01339 2.57583