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 51 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 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 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 3 324.2442999999998 AuxInfo=1/0/N:12,13,7,8,26,24,25,19,17,22,23,20,9,16,14,11,15,21,18,5,6,10,4,2,1,3/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,22.3,24.1/rA:52nOO1OCCCCCC3C3C3CCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s15;s3s16;s17;s18s19;s3;s21;s21;s22;s23;s24s25;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-1.4798,2.1093,.9328;-2.1781,1.2216,-.9878;3.3441,.9775,-.4038;-3.5521,-.9441,.7772;-2.1488,-1.4571,.6756;-2.4045,-.0019,1.0748;-4.3511,-1.3697,1.9863;-4.3968,-.8035,-.4645;-1.5172,-1.8293,-.6078;-2.0318,1.131,.2079;-1.0195,-3.0345,-.9069;-.369,-3.2825,-2.2345;-1.0501,-4.2261,.0003;-.978,3.243,.2252;.2282,2.9067,-.6075;1.2205,2.0829,-.0863;.3658,3.4316,-1.8861;2.3266,1.7643,-.8619;1.4947,3.1362,-2.6373;2.4731,2.2917,-2.1388;3.1019,-.0558,.4599;4.0334,-.2622,1.4682;2.0149,-.9101,.3151;3.8748,-1.3318,2.3382;1.8613,-1.9648,1.2028;2.7853,-2.1825,2.2159;-1.8276,-2.0503,1.5252;-2.2405,.2009,2.1268;-5.1283,-.6387,2.2193;-3.7244,-1.4818,2.872;-4.8414,-2.3284,1.8045;-5.1393,-.0123,-.3435;-4.9393,-1.7358,-.6336;-3.8307,-.5921,-1.3666;-1.4564,-1.0644,-1.3729;-.4021,-2.4065,-2.8821;-.8487,-4.1111,-2.7622;.6799,-3.565,-2.1066;-1.4461,-4.0177,.9923;-.0508,-4.6525,.1191;-1.6677,-5.0165,-.4356;-.7177,3.9575,1.0066;-1.7593,3.6957,-.3886;1.1261,1.6888,.9184;-.4099,4.0659,-2.2971;1.6034,3.5473,-3.6327;3.3443,2.0413,-2.7311;4.8777,.4088,1.5661;1.2913,-.7639,-.4776;4.6047,-1.4921,3.1211;1.0101,-2.6234,1.0921;2.6576,-3.0105,2.9006; 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 1560 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 188 Dim 1170 ENuc 2354.1213480548 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 6.943e-06 Time for diagonalization 0.311 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.248 sec Total time needed 0.570 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 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 1 324.2442999999998 AuxInfo=1/0/N:12,13,7,8,26,24,25,19,17,22,23,20,9,16,14,11,15,21,18,5,6,10,4,2,1,3/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,22.3,24.1/rA:52nOO1OCCCCCC3C3C3CCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s15;s3s16;s17;s18s19;s3;s21;s21;s22;s23;s24s25;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-1.4798,2.1093,.9328;-2.1781,1.2216,-.9878;3.3441,.9775,-.4038;-3.5521,-.9441,.7772;-2.1488,-1.4571,.6756;-2.4045,-.0019,1.0748;-4.3511,-1.3697,1.9863;-4.3968,-.8035,-.4645;-1.5172,-1.8293,-.6078;-2.0318,1.131,.2078;-1.0195,-3.0345,-.9069;-.369,-3.2825,-2.2345;-1.0501,-4.2261,.0003;-.978,3.243,.2252;.2282,2.9067,-.6075;1.2205,2.0829,-.0863;.3658,3.4316,-1.8861;2.3266,1.7643,-.8619;1.4947,3.1362,-2.6373;2.4731,2.2917,-2.1388;3.1019,-.0558,.4599;4.0334,-.2622,1.4682;2.0149,-.9101,.3151;3.8748,-1.3318,2.3382;1.8613,-1.9648,1.2028;2.7853,-2.1825,2.2159;-1.8276,-2.0503,1.5252;-2.2405,.2009,2.1268;-5.1283,-.6387,2.2193;-3.7244,-1.4818,2.872;-4.8414,-2.3284,1.8045;-5.1393,-.0123,-.3435;-4.9393,-1.7358,-.6336;-3.8307,-.5921,-1.3666;-1.4564,-1.0644,-1.3729;-.4021,-2.4065,-2.8821;-.8487,-4.1111,-2.7622;.6799,-3.565,-2.1066;-1.4461,-4.0177,.9923;-.0508,-4.6525,.1191;-1.6677,-5.0165,-.4356;-.7177,3.9575,1.0066;-1.7593,3.6957,-.3886;1.1261,1.6888,.9184;-.4099,4.0659,-2.2971;1.6034,3.5473,-3.6327;3.3443,2.0413,-2.7311;4.8777,.4087,1.5661;1.2913,-.7639,-.4776;4.6047,-1.4921,3.1211;1.0101,-2.6234,1.0921;2.6576,-3.0106,2.9006; 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" 324.2442999999998 AuxInfo=1/0/N:12,13,7,8,26,24,25,19,17,22,23,20,9,16,14,11,15,21,18,5,6,10,4,2,1,3/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,22.3,24.1/rA:52nOO1OCCCCCC3C3C3CCCC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s15;s3s16;s17;s18s19;s3;s21;s21;s22;s23;s24s25;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-1.4798,2.1093,.9328;-2.1781,1.2216,-.9878;3.3441,.9775,-.4038;-3.5521,-.9441,.7772;-2.1488,-1.4571,.6756;-2.4045,-.0019,1.0748;-4.3511,-1.3697,1.9863;-4.3968,-.8035,-.4645;-1.5172,-1.8293,-.6078;-2.0318,1.131,.2079;-1.0195,-3.0345,-.9069;-.369,-3.2825,-2.2345;-1.0501,-4.2261,.0003;-.978,3.243,.2252;.2282,2.9067,-.6075;1.2205,2.0829,-.0863;.3658,3.4316,-1.8861;2.3266,1.7643,-.8619;1.4947,3.1362,-2.6373;2.4731,2.2917,-2.1388;3.1019,-.0558,.4599;4.0334,-.2622,1.4682;2.0149,-.9101,.3151;3.8748,-1.3318,2.3382;1.8613,-1.9648,1.2028;2.7853,-2.1825,2.2159;-1.8276,-2.0503,1.5252;-2.2405,.2009,2.1268;-5.1283,-.6387,2.2193;-3.7244,-1.4818,2.872;-4.8414,-2.3284,1.8045;-5.1393,-.0123,-.3435;-4.9393,-1.7358,-.6336;-3.8307,-.5921,-1.3666;-1.4564,-1.0644,-1.3729;-.4021,-2.4065,-2.8821;-.8487,-4.1111,-2.7622;.6799,-3.565,-2.1066;-1.4461,-4.0177,.9923;-.0508,-4.6525,.1191;-1.6677,-5.0165,-.4356;-.7177,3.9575,1.0066;-1.7593,3.6957,-.3886;1.1261,1.6888,.9184;-.4099,4.0659,-2.2971;1.6034,3.5473,-3.6327;3.3443,2.0413,-2.7311;4.8777,.4088,1.5661;1.2913,-.7639,-.4776;4.6047,-1.4921,3.1211;1.0101,-2.6234,1.0921;2.6576,-3.0105,2.9006; 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 3086 GEPOL Volume 2514.5401 GEPOL Surface-area 1451.3226 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -1117.86675781 2354.12134805 -3471.98810586 -6198.06237329 2726.07426743 -0.02421372 -2230.67605008 1112.80929227 2.00454477 94.000024876083 94.000024876083 188.000049752166 -110.232262188691 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 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -524.6542 -524.5797 -523.0028 -283.3175 -281.5568 -281.5117 -281.2030 -280.2504 -280.1367 -279.9990 -279.9932 -279.8115 -279.7964 -279.7868 -279.7394 -279.7290 -279.7247 -279.7040 -279.6735 -279.6161 -279.6068 -279.2665 -279.1901 -279.1875 -279.1346 -279.1092 -33.5986 -32.9210 -31.0265 -27.3265 -26.9530 -26.5557 -25.1641 -24.6535 -23.9689 -23.6382 -23.3375 -23.0679 -22.6742 -21.9570 -21.7953 -21.6650 -20.5992 -20.3230 -19.7586 -19.3419 -18.8243 -18.2257 -17.8905 -17.7592 -17.2222 -16.7164 -16.3762 -16.1781 -16.0289 -15.8866 -15.6921 -15.6820 -15.4762 -15.0259 -14.8344 -14.6482 -14.5432 -14.4813 -14.3889 -14.1095 -13.9785 -13.8071 -13.7647 -13.7261 -13.4748 -13.0384 -12.9826 -12.8817 -12.7670 -12.6665 -12.5689 -12.4164 -12.3575 -12.3122 -12.2572 -12.0344 -11.8115 -11.5743 -11.3831 -11.0737 -10.9257 -10.3501 -10.0915 -9.5545 -9.3529 -9.1846 -8.4402 -8.3598 1.3005 1.5488 1.8042 2.1047 2.1893 2.6665 3.0828 3.5967 3.7819 3.9227 4.2001 4.2570 4.3637 4.4801 4.7228 4.7624 4.9339 4.9887 5.0717 5.0967 5.1945 5.2237 5.3072 5.4746 5.5026 5.5491 5.8091 5.9566 6.0186 6.1786 6.2651 6.3456 6.4861 6.5457 6.5754 6.6997 6.7282 6.8111 6.9105 6.9878 7.1081 7.2621 7.3609 7.4190 7.5928 7.7782 7.8576 7.9006 7.9217 8.0106 8.0686 8.2522 8.2960 8.4021 8.4596 8.6370 8.7610 8.8593 8.9971 9.0419 9.3093 9.3949 9.4674 9.5102 9.7319 9.7821 9.8591 10.0089 10.0722 10.2171 10.3383 10.5722 10.6381 10.8813 10.9451 11.0111 11.1130 11.2608 11.2885 11.4573 11.5564 11.6788 11.7614 11.7770 11.9939 12.0259 12.0889 12.1619 12.3056 12.4167 12.5358 12.5885 12.6732 12.8346 12.9758 13.0603 13.1068 13.2752 13.2996 13.4000 13.4554 13.5548 13.6182 13.6575 13.7789 13.8603 13.9604 13.9963 14.1055 14.2350 14.3191 14.3297 14.4219 14.5287 14.6196 14.7267 14.8598 14.8910 14.9580 14.9939 15.1404 15.1827 15.2387 15.3413 15.4698 15.5583 15.6217 15.7169 15.8256 15.8959 15.9744 16.0670 16.0724 16.1518 16.2469 16.4712 16.5013 16.6027 16.6369 16.8327 16.9338 16.9898 17.0580 17.1937 17.2569 17.3376 17.6510 17.7384 17.8266 17.9655 18.1247 18.3524 18.5434 18.6474 18.7377 19.0360 19.0963 19.3876 19.5157 19.6285 19.6992 19.7738 19.9164 19.9532 20.1335 20.4205 20.4581 20.6018 20.6814 20.8347 20.9459 21.0292 21.1433 21.2604 21.5229 21.6366 21.7745 21.7972 21.9454 22.1008 22.2606 22.3708 22.5181 22.6741 22.8881 22.9421 23.1676 23.2224 23.3342 23.5186 23.5720 23.7402 23.8895 24.0051 24.2379 24.3489 24.3951 24.5188 24.6738 24.8813 24.9260 25.0492 25.4212 25.5426 25.6229 25.8751 25.9685 26.1486 26.1922 26.3054 26.3568 26.6113 26.6465 26.8787 26.9828 27.1033 27.2814 27.3935 27.4730 27.7988 27.9307 28.0407 28.1579 28.2499 28.3981 28.4556 28.7209 28.8436 28.9195 29.0549 29.1826 29.2477 29.3037 29.5156 29.5423 29.6065 29.7853 29.8806 30.0609 30.2646 30.3690 30.4629 30.5553 30.6751 30.7540 30.9597 31.0531 31.2675 31.3924 31.4781 31.5534 31.6592 31.8734 31.9913 32.0918 32.2341 32.3230 32.4325 32.5722 32.8079 32.8424 32.9784 33.0845 33.1583 33.2938 33.4976 33.5436 33.8146 33.9522 34.0598 34.0965 34.2489 34.4120 34.4762 34.6899 34.7876 35.1012 35.3604 35.4347 35.6058 35.6926 35.7435 35.8922 36.0174 36.1469 36.2818 36.3778 36.5400 36.6150 36.6660 36.8503 37.1395 37.1850 37.4125 37.4854 37.6087 37.6852 37.8933 37.9296 38.1889 38.2257 38.3191 38.3782 38.5720 38.6629 38.9249 39.0432 39.0484 39.1964 39.2767 39.4871 39.5704 39.5965 39.8262 39.9637 40.0704 40.1872 40.2716 40.5092 40.5812 40.6351 40.9017 40.9088 41.0774 41.1846 41.2313 41.5292 41.6302 41.6953 41.8294 41.9128 42.1652 42.3091 42.3426 42.5902 42.6521 42.7822 42.9685 43.0866 43.1099 43.3112 43.5463 43.6438 43.6639 43.8103 43.9754 44.1046 44.2067 44.3757 44.4279 44.6488 44.7381 44.8311 44.9436 45.0976 45.1182 45.3603 45.4761 45.5520 45.6844 45.7471 45.8554 46.0418 46.2315 46.4324 46.5369 46.7166 46.7184 46.7712 47.0220 47.0828 47.3016 47.3711 47.4259 47.7601 47.8469 47.9175 48.1544 48.3099 48.3998 48.5930 48.7163 48.8388 49.0879 49.2312 49.4909 49.5027 49.7982 49.9969 50.1255 50.2776 50.5655 50.7389 50.9538 50.9708 51.2490 51.4892 51.6132 51.7216 51.9307 52.1589 52.3279 52.5395 52.7616 53.1374 53.2993 53.5524 53.8939 54.2184 54.5135 54.7689 54.9460 55.3678 55.7943 56.0034 56.0720 56.3257 56.3599 56.6395 56.7113 57.0260 57.1812 57.3862 57.4146 57.7186 57.8386 57.9755 57.9935 58.2013 58.4752 58.7153 58.9395 59.1061 59.3514 59.5216 60.0587 60.1030 60.3279 60.8666 60.9934 61.1509 61.5093 61.6923 62.1512 62.4013 62.5783 62.9631 63.0074 63.1460 63.6350 63.8298 64.0216 64.0819 64.3608 64.6015 64.9294 65.0994 65.3248 65.4710 65.5904 65.9549 66.0179 66.1441 66.5756 66.7784 66.9344 67.2921 67.5355 67.6872 67.9116 68.2737 68.2971 68.6182 68.9777 69.1980 69.4001 69.9009 70.0563 70.2197 70.5888 70.9404 71.2271 71.2884 71.5895 71.7975 72.0307 72.1966 72.3086 72.7035 72.9036 73.0116 73.2838 73.5769 73.7163 74.0969 74.2015 74.4976 74.6579 74.8537 74.9355 75.0279 75.4822 75.6548 75.7568 75.8998 76.0723 76.3454 76.5110 76.6313 76.6643 76.8262 76.9457 77.1415 77.2163 77.4797 77.6933 77.8248 77.9727 78.0917 78.2423 78.3555 78.5776 78.7129 78.9623 79.0922 79.2606 79.3480 79.3979 79.4865 79.5764 79.6818 79.7599 79.8177 79.9497 80.1125 80.2407 80.4225 80.5691 80.6266 80.9911 81.0307 81.1091 81.2685 81.5260 81.6122 81.7117 81.8393 81.8929 81.9168 82.1901 82.3362 82.3865 82.5653 82.6330 82.7714 82.9119 83.0808 83.1968 83.4013 83.4755 83.5378 83.7527 83.8095 84.0633 84.1667 84.2367 84.3713 84.5220 84.5785 84.7953 84.8777 84.9844 85.0404 85.2220 85.3075 85.3720 85.5564 85.6391 85.7713 85.8986 86.0881 86.1383 86.2712 86.3931 86.4625 86.6160 86.7121 86.8116 86.9897 87.0525 87.2200 87.2483 87.3095 87.4860 87.6077 87.9578 88.0460 88.1267 88.1708 88.3461 88.4700 88.6318 88.7051 88.8592 88.9630 89.1218 89.2491 89.3734 89.4381 89.6573 89.7065 89.7390 90.0113 90.1004 90.2629 90.3416 90.4324 90.7108 90.8208 91.1303 91.2304 91.3521 91.5045 91.6745 91.7151 91.8505 91.9588 92.0892 92.2621 92.4225 92.5773 92.7029 92.7798 92.8635 92.9399 93.0296 93.1904 93.3270 93.3879 93.4408 93.5181 93.6489 93.7494 93.8680 94.1076 94.1327 94.2543 94.4863 94.5563 94.6999 94.7539 94.8883 94.9779 95.1445 95.2857 95.3721 95.5232 95.6615 95.7089 95.7535 96.0706 96.2709 96.3789 96.4060 96.5125 96.6678 96.7653 96.8563 97.0716 97.1573 97.3150 97.4136 97.4651 97.4855 97.7343 97.8281 97.9180 97.9609 98.2986 98.4175 98.5185 98.6554 98.8941 98.9364 99.1895 99.2891 99.4415 99.5726 99.6635 99.6895 99.9589 100.1717 100.2609 100.3594 100.4449 100.6365 100.8610 101.0630 101.0957 101.2546 101.4517 101.5278 101.7655 101.8128 102.0060 102.1045 102.5456 102.6032 102.8261 103.0207 103.0923 103.1684 103.2584 103.4473 103.7736 103.8577 104.1519 104.1794 104.2317 104.5317 104.6774 104.8505 105.0677 105.1886 105.4150 105.5194 105.6487 105.6998 105.7785 105.8353 106.0181 106.1424 106.2816 106.3284 106.5159 106.6403 106.9444 107.0655 107.1601 107.4222 107.5429 107.5985 107.8689 107.9224 108.0419 108.2943 108.4472 108.5014 108.7276 108.8757 108.9846 109.1916 109.2569 109.3339 109.5124 109.7024 109.7319 109.8813 110.1144 110.1500 110.3803 110.6970 110.7181 110.9917 111.1052 111.2526 111.4047 111.5154 111.7453 111.8018 111.9563 112.1430 112.4558 112.5285 112.7693 112.8139 113.0717 113.3127 113.4814 113.5333 113.7082 113.7480 113.7995 114.1017 114.2289 114.3458 114.6092 114.9509 114.9705 114.9987 115.0660 115.2843 115.3748 115.5900 115.6377 115.8073 115.9285 116.1176 116.3654 116.4503 116.4758 116.5281 116.5832 116.7521 116.8975 117.0462 117.1995 117.3095 117.3259 117.5383 117.7085 117.7304 117.8100 117.9886 118.1813 118.2135 118.3241 118.4236 118.5878 118.6253 118.6883 118.9223 119.0282 119.1958 119.4460 119.5356 119.7064 119.9504 120.1103 120.2982 120.3450 120.4751 120.6369 120.6995 120.8151 120.9885 121.1288 121.5787 121.6492 121.7475 122.0607 122.2400 122.3624 122.5756 122.6742 123.0164 123.0773 123.2099 123.3175 123.7068 124.0155 124.3219 124.3958 124.5285 124.7016 125.0749 125.1330 125.4550 125.7833 126.0072 126.1666 126.4870 126.5754 127.0369 127.3079 127.8150 127.8834 128.2205 128.4306 128.6105 129.0693 129.1464 129.3283 129.4299 129.4965 129.6716 129.7545 129.9219 130.2036 130.2304 130.4433 130.5763 130.6089 130.7061 130.8880 130.9581 131.2448 131.4416 131.5921 131.6909 131.9133 131.9942 132.2016 132.2468 132.6603 133.0037 133.0712 133.2181 133.3044 133.5914 134.1257 134.2070 134.6417 134.8172 134.8913 135.1119 135.2232 135.4355 135.6043 135.8321 136.2199 136.4533 136.8080 136.8765 137.2054 137.3248 137.6158 138.1821 138.3140 138.6822 138.9091 139.0492 139.6136 139.6825 139.8985 140.2547 140.4939 140.8785 141.2693 141.3976 141.6970 142.0008 142.0544 142.3317 142.4903 142.9836 143.7446 143.9722 144.2138 144.4500 144.6662 144.7385 144.8559 145.1963 145.2270 145.3077 145.6092 145.7075 146.0102 146.0952 146.1596 146.3416 146.4887 146.5751 146.6586 146.9678 147.1110 147.3171 147.6906 148.0650 148.1502 148.2459 148.5369 148.9775 149.1229 149.3153 149.3568 149.5437 149.5971 149.9817 150.2289 150.6077 150.6541 150.8174 150.9652 151.2610 151.4577 151.5044 151.7927 151.9588 152.1081 152.3820 152.6463 153.1708 153.4341 153.6760 153.9774 154.2367 154.5907 154.6826 155.1339 155.1979 155.3911 155.9882 156.2345 156.8903 156.9663 157.1494 157.4532 157.4919 157.6662 158.1140 158.1487 158.4711 158.7623 159.3637 159.5605 159.6554 160.2480 160.3530 160.6745 161.3535 161.8161 162.2296 162.5125 163.4058 163.5499 164.3700 165.6401 167.0705 167.5785 168.6110 169.9922 171.7480 172.4772 172.8600 173.3277 174.7380 176.8711 177.8783 179.2192 180.0323 181.0002 182.5330 185.5296 186.4631 187.3921 187.5596 189.3553 189.5710 192.3791 192.9289 193.3560 195.4365 196.6663 199.6763 202.4794 204.9833 206.6791 207.6121 619.1322 620.1264 624.1903 627.5772 631.2383 632.1725 632.8527 634.1594 634.4310 635.5121 636.3600 636.8597 637.0715 637.7849 640.5281 642.3687 643.9070 645.4122 647.8021 650.5843 651.7095 657.3026 658.3243 1201.8553 1210.3399 1215.1852 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 51 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 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 -0.295859 -0.463372 -0.329485 0.143053 0.008608 -0.098716 -0.264670 -0.288086 -0.339404 0.385274 -0.018490 -0.233875 -0.268263 0.100766 0.045004 -0.257958 -0.235015 0.300101 -0.104593 -0.267205 0.312319 -0.269722 -0.245284 -0.091930 -0.065419 -0.251715 0.111060 0.096885 0.094944 0.087038 0.093701 0.102317 0.094755 0.098489 0.131246 0.091094 0.099706 0.092344 0.094618 0.092428 0.113019 0.120909 0.113767 0.138759 0.140822 0.156739 0.145344 0.144561 0.160868 0.156799 0.168718 0.153005 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 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 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 8.2959 8.4634 8.3295 5.8569 5.9914 6.0987 6.2647 6.2881 6.3394 5.6147 6.0185 6.2339 6.2683 5.8992 5.9550 6.2580 6.2350 5.6999 6.1046 6.2672 5.6877 6.2697 6.2453 6.0919 6.0654 6.2517 0.8889 0.9031 0.9051 0.9130 0.9063 0.8977 0.9052 0.9015 0.8688 0.9089 0.9003 0.9077 0.9054 0.9076 0.8870 0.8791 0.8862 0.8612 0.8592 0.8433 0.8547 0.8554 0.8391 0.8432 0.8313 0.8470 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 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 -0.2959 -0.4634 -0.3295 0.1431 0.0086 -0.0987 -0.2647 -0.2881 -0.3394 0.3853 -0.0185 -0.2339 -0.2683 0.1008 0.0450 -0.2580 -0.2350 0.3001 -0.1046 -0.2672 0.3123 -0.2697 -0.2453 -0.0919 -0.0654 -0.2517 0.1111 0.0969 0.0949 0.0870 0.0937 0.1023 0.0948 0.0985 0.1312 0.0911 0.0997 0.0923 0.0946 0.0924 0.1130 0.1209 0.1138 0.1388 0.1408 0.1567 0.1453 0.1446 0.1609 0.1568 0.1687 0.1530 2.1132 2.0274 2.0878 3.7536 3.7285 3.9214 3.9037 3.9044 3.8018 4.0962 3.7063 3.9188 3.9255 3.8081 3.6143 3.9269 3.9772 3.7084 3.8887 4.0168 3.7310 4.0246 3.9366 3.8594 3.7776 4.0007 1.0037 1.0285 1.0023 1.0050 1.0024 1.0004 1.0017 1.0146 1.0202 1.0079 0.9979 0.9960 1.0095 0.9956 0.9974 0.9925 1.0092 1.0185 1.0038 0.9890 1.0073 1.0086 0.9944 0.9885 0.9711 0.9964 2.1132 2.0274 2.0878 3.7536 3.7285 3.9214 3.9037 3.9044 3.8018 4.0962 3.7063 3.9188 3.9255 3.8081 3.6143 3.9269 3.9772 3.7084 3.8887 4.0168 3.7310 4.0246 3.9366 3.8594 3.7776 4.0007 1.0037 1.0285 1.0023 1.0050 1.0024 1.0004 1.0017 1.0146 1.0202 1.0079 0.9979 0.9960 1.0095 0.9956 0.9974 0.9925 1.0092 1.0185 1.0038 0.9890 1.0073 1.0086 0.9944 0.9885 0.9711 0.9964 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1424 0.8700 1.8525 0.9617 0.9401 0.9007 0.9410 0.9325 0.9359 0.8955 0.9444 1.0113 0.9971 1.0289 0.9929 0.9839 0.9947 0.9914 0.9900 0.9913 1.8185 0.9835 0.9596 0.9554 1.0023 0.9842 0.9786 1.0054 0.9887 0.9789 0.9212 0.9702 1.0148 1.3448 1.3838 1.3775 0.9701 1.4256 0.9886 1.3771 1.4378 0.9814 0.9845 1.3904 1.3858 1.4246 0.9839 1.3747 0.9509 1.4185 0.9789 1.4205 0.9613 0.9892 0 9 0 13 1 9 2 17 2 20 3 4 3 5 3 6 3 7 4 5 4 8 4 26 5 9 5 27 6 28 6 29 6 30 7 31 7 32 7 33 8 10 8 34 10 11 10 12 11 35 11 36 11 37 12 38 12 39 12 40 13 14 13 41 13 42 14 15 14 16 15 17 15 43 16 18 16 44 17 19 18 19 18 45 19 46 20 21 20 22 21 23 21 47 22 24 22 48 23 25 23 49 24 25 24 50 25 51 -0.028090600 -1117.894848405104 -17.99148 17.58307 -0.40841 -20.72662 20.23175 -0.49487 0.79698 0.27322 1.07020 1.24781 3.17168