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:.281,-1.5312,-1.2419;-.1728,-2.8455,.5075;3.579,2.3653,.4326;-3.0871,-2.5787,-.6608;-2.9377,-1.7426,.5739;-1.9274,-1.6008,-.5408;-4.1513,-2.2093,-1.6649;-2.8579,-4.066,-.5576;-3.8497,-.615,.8825;-.542,-2.0707,-.3431;-4.7938,-.6234,1.8288;-5.6564,.5775,2.0753;-5.0861,-1.8003,2.7089;1.6736,-1.8717,-1.1748;2.3896,-1.0682,-.126;2.6224,.2859,-.3559;2.819,-1.6521,1.0596;3.271,1.0478,.6059;3.4776,-.8824,2.0093;3.6993,.4672,1.7944;2.8415,3.1532,-.4102;3.5349,3.937,-1.3204;1.4563,3.2224,-.321;2.8325,4.7986,-2.1521;.7662,4.0773,-1.1677;1.4482,4.867,-2.0851;-2.5704,-2.2937,1.4344;-2.0169,-.7165,-1.1631;-4.2734,-1.1315,-1.773;-5.1177,-2.6222,-1.3665;-3.9099,-2.6146,-2.6497;-2.1668,-4.3405,.2366;-2.4727,-4.4733,-1.4955;-3.8062,-4.5666,-.349;-3.7339,.2841,.2834;-6.7142,.3362,1.9379;-5.4115,1.4066,1.4107;-5.5533,.9307,3.1052;-4.9767,-1.5353,3.7642;-4.449,-2.6614,2.513;-6.123,-2.1235,2.581;2.0585,-1.6363,-2.1665;1.8026,-2.9423,-1.011;2.3067,.7297,-1.2929;2.6456,-2.7048,1.2409;3.8151,-1.3353,2.9326;4.2093,1.0696,2.5359;4.6149,3.8758,-1.3723;.9184,2.6186,.3998;3.3739,5.4127,-2.8604;-.3131,4.1295,-1.1026;.9032,5.5338,-2.7405; 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 2204.3130816051 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 7.373e-06 Time for diagonalization 0.305 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.344 sec Total time needed 0.656 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:.281,-1.5312,-1.2419;-.1728,-2.8455,.5075;3.579,2.3653,.4326;-3.0871,-2.5787,-.6608;-2.9377,-1.7426,.5739;-1.9274,-1.6008,-.5408;-4.1513,-2.2093,-1.6649;-2.8579,-4.066,-.5577;-3.8498,-.615,.8825;-.542,-2.0707,-.3431;-4.7938,-.6234,1.8288;-5.6564,.5775,2.0753;-5.0861,-1.8003,2.7089;1.6736,-1.8717,-1.1748;2.3896,-1.0682,-.126;2.6224,.2859,-.3559;2.819,-1.6521,1.0596;3.271,1.0478,.6059;3.4776,-.8824,2.0093;3.6993,.4672,1.7944;2.8415,3.1532,-.4102;3.5349,3.937,-1.3204;1.4563,3.2224,-.321;2.8325,4.7986,-2.1521;.7662,4.0773,-1.1677;1.4482,4.867,-2.0851;-2.5704,-2.2937,1.4344;-2.0169,-.7165,-1.1631;-4.2734,-1.1315,-1.773;-5.1177,-2.6222,-1.3665;-3.9099,-2.6146,-2.6497;-2.1668,-4.3405,.2366;-2.4727,-4.4733,-1.4955;-3.8062,-4.5666,-.349;-3.7339,.2841,.2834;-6.7142,.3362,1.9379;-5.4115,1.4066,1.4107;-5.5533,.9307,3.1052;-4.9767,-1.5353,3.7642;-4.449,-2.6614,2.513;-6.123,-2.1235,2.581;2.0585,-1.6363,-2.1665;1.8026,-2.9423,-1.011;2.3067,.7297,-1.2929;2.6456,-2.7048,1.2409;3.8151,-1.3353,2.9326;4.2093,1.0696,2.5359;4.6149,3.8758,-1.3723;.9184,2.6186,.3998;3.3739,5.4127,-2.8604;-.3131,4.1295,-1.1026;.9032,5.5338,-2.7405; 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:.281,-1.5312,-1.2419;-.1728,-2.8455,.5075;3.579,2.3653,.4326;-3.0871,-2.5787,-.6608;-2.9377,-1.7426,.5739;-1.9274,-1.6008,-.5408;-4.1513,-2.2093,-1.6649;-2.8579,-4.066,-.5576;-3.8497,-.615,.8825;-.542,-2.0707,-.3431;-4.7938,-.6234,1.8288;-5.6564,.5775,2.0753;-5.0861,-1.8003,2.7089;1.6736,-1.8717,-1.1748;2.3896,-1.0682,-.126;2.6224,.2859,-.3559;2.819,-1.6521,1.0596;3.271,1.0478,.6059;3.4776,-.8824,2.0093;3.6993,.4672,1.7944;2.8415,3.1532,-.4102;3.5349,3.937,-1.3204;1.4563,3.2224,-.321;2.8325,4.7986,-2.1521;.7662,4.0773,-1.1677;1.4482,4.867,-2.0851;-2.5704,-2.2937,1.4344;-2.0169,-.7165,-1.1631;-4.2734,-1.1315,-1.773;-5.1177,-2.6222,-1.3665;-3.9099,-2.6146,-2.6497;-2.1668,-4.3405,.2366;-2.4727,-4.4733,-1.4955;-3.8062,-4.5666,-.349;-3.7339,.2841,.2834;-6.7142,.3362,1.9379;-5.4115,1.4066,1.4107;-5.5533,.9307,3.1052;-4.9767,-1.5353,3.7642;-4.449,-2.6614,2.513;-6.123,-2.1235,2.581;2.0585,-1.6363,-2.1665;1.8026,-2.9423,-1.011;2.3067,.7297,-1.2929;2.6456,-2.7048,1.2409;3.8151,-1.3353,2.9326;4.2093,1.0696,2.5359;4.6149,3.8758,-1.3723;.9184,2.6186,.3998;3.3739,5.4127,-2.8604;-.3131,4.1295,-1.1026;.9032,5.5338,-2.7405; 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 3083 GEPOL Volume 2519.8008 GEPOL Surface-area 1476.1907 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1117.86976258 2204.31308161 -3322.18284419 -5898.30095691 2576.11811272 -0.02452463 -2230.65855464 1112.78879205 2.00456598 94.000138126843 94.000138126843 188.000276253686 -110.222119583737 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 -524.6675 -524.5819 -522.9810 -283.2837 -281.5837 -281.4989 -281.1866 -280.2736 -280.1031 -279.9374 -279.8486 -279.8307 -279.8194 -279.8060 -279.7772 -279.7655 -279.7392 -279.7326 -279.7103 -279.6604 -279.6184 -279.2791 -279.1782 -279.1709 -279.1594 -279.1330 -33.5511 -32.9337 -31.0136 -27.3312 -26.9667 -26.5730 -25.1451 -24.6605 -23.9736 -23.6710 -23.3199 -23.0788 -22.6705 -21.9193 -21.7944 -21.6666 -20.5500 -20.3010 -19.7788 -19.3191 -18.7868 -18.2067 -17.8722 -17.7736 -17.3941 -16.7334 -16.2792 -16.2269 -16.0322 -15.9169 -15.7624 -15.7345 -15.2729 -15.0646 -14.8267 -14.6511 -14.5741 -14.4332 -14.2923 -14.2699 -14.0291 -13.8850 -13.7261 -13.4971 -13.3717 -13.1189 -12.9159 -12.8708 -12.8113 -12.6863 -12.5465 -12.4435 -12.4111 -12.3358 -12.1468 -12.0302 -11.8755 -11.6507 -11.4283 -11.0111 -10.7112 -10.4631 -10.0205 -9.5737 -9.3644 -9.2970 -8.5036 -8.4156 1.2549 1.5657 1.7699 2.1504 2.2328 2.6079 3.1803 3.5735 3.7690 4.0136 4.0492 4.2807 4.3905 4.5013 4.5691 4.7285 4.8000 4.8687 5.0324 5.1047 5.2174 5.3342 5.3489 5.4595 5.5327 5.5995 5.6910 5.8333 5.9314 6.0180 6.1318 6.1860 6.3403 6.4088 6.4430 6.5117 6.5177 6.7131 6.8188 6.9245 6.9507 7.1320 7.3500 7.3960 7.4972 7.5900 7.7619 7.8266 7.8752 7.9390 8.0497 8.1520 8.2087 8.2794 8.3312 8.5218 8.6868 8.6992 8.7672 8.8891 9.0699 9.1787 9.1979 9.3341 9.5182 9.5417 9.6239 9.7606 9.9682 10.0341 10.1842 10.4317 10.4370 10.6795 10.7097 10.8436 10.9674 11.0053 11.0466 11.1258 11.1893 11.2871 11.4545 11.5089 11.5533 11.6440 11.7817 11.8547 12.0913 12.2042 12.2950 12.4005 12.4555 12.5669 12.6674 12.6789 12.7577 12.8356 12.9640 13.0802 13.1976 13.3109 13.3636 13.4968 13.5744 13.7030 13.7490 13.7939 13.8997 13.9142 13.9875 14.1768 14.2084 14.2905 14.3071 14.3809 14.4666 14.6021 14.7821 14.9117 14.9285 15.0069 15.0303 15.1148 15.2773 15.3196 15.4569 15.4841 15.5750 15.6435 15.7023 15.7247 15.8219 15.9212 15.9725 16.0703 16.0814 16.3041 16.4271 16.5558 16.5655 16.6650 16.7322 16.7747 16.8477 17.1180 17.1476 17.3054 17.3782 17.6024 17.6779 17.8189 17.9392 17.9947 18.1709 18.5504 18.7712 18.8405 18.9913 19.1657 19.3074 19.4415 19.5714 19.6731 19.8858 19.9886 20.0342 20.1325 20.1463 20.2615 20.5274 20.5504 20.6056 20.7212 20.8938 20.9942 21.0794 21.3433 21.4178 21.4493 21.6673 21.6748 21.8712 22.1645 22.2086 22.3225 22.4475 22.6229 23.0243 23.2001 23.3966 23.4083 23.6056 23.7015 23.7420 24.0168 24.1673 24.2212 24.3456 24.6038 24.6923 24.8174 24.8417 25.0205 25.0536 25.2408 25.4647 25.7081 25.7843 25.8954 26.1042 26.3347 26.4552 26.5655 26.6852 26.8083 26.9333 27.0924 27.2093 27.3582 27.4481 27.5827 27.7852 27.9227 28.1528 28.2923 28.6816 28.7712 28.8197 28.8634 28.9461 28.9856 29.0273 29.1549 29.2190 29.3231 29.3528 29.4746 29.5500 29.7025 29.8997 29.9255 30.0820 30.2087 30.3081 30.4540 30.5237 30.6266 30.7765 30.9816 31.1025 31.1617 31.4898 31.6284 31.7650 31.8734 31.9156 32.0777 32.2041 32.3193 32.5364 32.6028 32.7780 32.8321 32.8804 32.9871 33.1399 33.3051 33.5575 33.5678 33.6689 33.8377 34.0876 34.2227 34.3143 34.4572 34.6526 34.7302 35.0402 35.1513 35.2328 35.3464 35.5578 35.6126 35.8434 35.9007 36.0557 36.1732 36.3237 36.5697 36.6861 36.8139 36.8648 36.9203 37.0070 37.1417 37.3633 37.3832 37.5977 37.7735 37.8916 38.0060 38.0551 38.1615 38.3004 38.3662 38.5107 38.5899 38.7606 38.9212 38.9224 39.1135 39.1609 39.3222 39.3735 39.4567 39.5200 39.6577 39.7979 40.1273 40.1525 40.3199 40.5941 40.7903 40.9449 41.0023 41.1741 41.3197 41.3870 41.5056 41.6440 41.8251 41.9527 42.1381 42.1968 42.3173 42.3653 42.4501 42.7060 42.7424 42.8508 42.9301 43.0253 43.2801 43.3657 43.5151 43.6685 43.7153 43.8570 43.9282 44.0447 44.1225 44.2059 44.3180 44.4591 44.5169 44.6577 44.8440 44.9570 45.0818 45.2787 45.4449 45.6143 45.7700 45.8609 45.9206 46.0334 46.1006 46.3693 46.4113 46.5467 46.7229 46.8300 47.0785 47.1362 47.2630 47.3466 47.5423 47.5658 47.7369 47.9102 48.2741 48.4419 48.5036 48.7528 48.8839 48.9708 49.0548 49.2463 49.3604 49.7116 49.7947 49.8790 50.2273 50.2775 50.4351 50.6120 50.9246 51.1711 51.4764 51.6420 51.9540 52.1008 52.3346 52.5202 52.7320 52.8651 53.0474 53.2573 53.4390 54.1545 54.2665 54.8464 54.8928 54.9820 55.3564 55.5731 55.8986 56.1635 56.3233 56.4205 56.5921 56.8167 57.0874 57.1328 57.4930 57.5855 57.8253 57.9682 58.4460 58.5703 58.6598 58.7294 59.0058 59.4486 59.7281 59.8702 60.3023 60.4305 60.5552 60.5943 60.7496 61.3840 61.4504 61.7714 62.0976 62.4220 62.5168 62.9285 63.0740 63.2407 63.4891 63.6749 63.7608 63.9771 64.4082 64.6619 64.8361 65.2168 65.3788 65.6323 65.6566 65.8788 66.4329 66.4857 66.8683 67.0948 67.4155 67.5492 67.7434 67.8081 68.0710 68.2063 68.4916 68.6572 69.0672 69.4487 69.6280 70.1200 70.3679 70.4843 70.7213 71.0924 71.1650 71.4945 71.6696 71.9840 72.0313 72.3444 72.7898 72.8666 73.3637 73.3964 73.4253 73.7155 73.9973 74.1881 74.3640 74.5949 74.7722 74.8344 74.9981 75.2242 75.3072 75.4519 75.6220 75.7593 75.9910 76.5214 76.5920 76.7040 76.9322 77.0019 77.0796 77.2834 77.3953 77.5817 77.7255 77.7780 78.0748 78.1956 78.3270 78.5456 78.6658 78.7433 78.8931 79.0212 79.1906 79.2834 79.4219 79.5073 79.5218 79.5923 79.7380 79.7948 79.8159 80.0613 80.2970 80.3935 80.5058 80.7648 80.8002 81.0503 81.1183 81.3784 81.5390 81.6570 81.8436 81.9074 82.0308 82.1269 82.3445 82.4972 82.5460 82.6267 82.7214 82.8269 83.0512 83.1614 83.2291 83.3980 83.4664 83.6551 83.7180 83.7721 83.9241 84.0851 84.2597 84.3776 84.4707 84.5364 84.8065 84.8903 84.9515 85.0826 85.2301 85.2462 85.2946 85.4616 85.6417 85.7604 85.8167 85.8599 85.9289 86.0410 86.2679 86.3281 86.3530 86.5499 86.6418 86.7926 86.8514 87.0425 87.1277 87.3829 87.5140 87.5613 87.8434 87.9646 88.0120 88.1513 88.3125 88.5817 88.6620 88.6860 88.7621 88.8652 89.0695 89.1438 89.2821 89.3723 89.5146 89.5927 89.7088 89.8811 90.0422 90.1312 90.1599 90.4583 90.5194 90.7062 90.7572 90.9349 91.1820 91.3723 91.4355 91.5262 91.7981 92.1144 92.1419 92.4087 92.5080 92.5461 92.6946 92.8538 92.8809 93.0282 93.1124 93.1524 93.2484 93.4636 93.5281 93.5940 93.6213 93.7619 93.8417 93.8793 93.9799 94.1651 94.2623 94.4382 94.6235 94.7882 94.9102 95.0478 95.0815 95.2078 95.2533 95.4291 95.4534 95.7707 95.9060 96.2152 96.2864 96.3286 96.4636 96.6026 96.8003 96.8608 96.9982 97.1582 97.2140 97.3033 97.3574 97.5377 97.5685 97.8122 97.9120 97.9376 98.0783 98.3331 98.4835 98.6338 98.7152 98.8011 98.8678 98.9931 99.0208 99.2877 99.3493 99.4926 99.7217 99.8958 100.0525 100.1751 100.4063 100.5754 100.7630 100.8814 101.1476 101.1908 101.3472 101.5339 101.6570 101.7279 101.8655 102.1469 102.2870 102.4354 102.6784 102.7000 102.8425 103.1109 103.3100 103.4811 103.5763 103.7867 104.0314 104.3501 104.5153 104.5920 104.7744 104.9568 105.0786 105.1434 105.3197 105.4874 105.5856 105.6016 105.7046 105.9204 105.9707 106.1685 106.2181 106.2989 106.4142 106.4513 106.6171 106.8622 106.9672 107.0975 107.2946 107.3864 107.5883 107.6181 107.7871 107.8708 108.1492 108.3591 108.4759 108.9457 108.9690 109.1281 109.1545 109.3249 109.4577 109.4833 109.5322 109.6649 109.7661 109.9719 110.1957 110.3883 110.3980 110.5691 110.6130 110.8908 111.0290 111.2636 111.4149 111.4657 111.6334 111.8021 111.9653 112.1467 112.2572 112.5021 112.6690 113.0309 113.1672 113.2959 113.4704 113.6720 113.7275 113.8815 114.0179 114.3000 114.4785 114.5173 114.6941 114.7836 114.8419 114.9435 115.0708 115.1545 115.3847 115.5262 115.8383 115.9093 115.9486 116.0840 116.4068 116.4661 116.4993 116.6792 116.7081 117.0022 117.0488 117.1074 117.1645 117.3016 117.3832 117.5616 117.6784 117.9458 118.0292 118.1577 118.1846 118.2872 118.3358 118.4369 118.6074 118.7475 118.8600 118.9728 119.1744 119.2893 119.3288 119.4798 119.6575 119.8606 119.8966 120.1230 120.1509 120.2464 120.4278 120.5546 120.9011 120.9383 121.1577 121.3838 121.4958 121.5925 122.0525 122.3491 122.4826 122.6606 122.7540 122.9856 123.2064 123.4495 123.5114 123.8024 123.9892 124.6666 124.8201 125.0653 125.3343 125.5510 125.6702 126.0274 126.1376 126.4122 126.4868 126.7009 127.0634 127.6338 127.8483 128.1534 128.3861 128.8415 128.9658 129.0723 129.3118 129.3326 129.3464 129.4467 129.5420 129.7310 129.9214 130.1968 130.3122 130.3515 130.3891 130.7377 130.9911 131.0644 131.1911 131.3477 131.4885 131.5401 131.7653 131.8035 131.9414 132.3401 132.5005 132.7578 132.8495 133.1483 133.5200 133.7370 133.7883 134.1684 134.4401 134.9543 135.0173 135.1123 135.4332 135.5677 135.7138 135.9604 136.0495 136.3990 136.6184 136.9725 137.0456 137.6511 137.9865 138.3297 138.6562 138.7758 138.8694 139.1932 139.5466 139.9430 140.1378 140.4211 140.5349 140.9566 141.0147 141.2844 141.3626 141.7771 142.1500 142.5294 143.0255 143.2716 143.5732 143.9661 144.1738 144.2636 144.4718 144.6486 144.8857 145.0320 145.2494 145.4223 145.5477 145.6038 145.7108 146.0302 146.0682 146.2624 146.3279 146.7170 146.9892 147.3165 147.3684 147.5997 147.9757 148.0289 148.1105 148.2523 148.2850 148.5565 148.7396 148.9580 149.3059 149.6103 149.7817 149.8788 150.0861 150.1106 150.3047 150.5728 150.8234 150.9609 151.3992 151.7104 151.7713 151.9895 152.0768 152.3232 152.8767 153.1179 153.4174 153.5932 154.1155 154.2382 154.4291 154.7150 154.9760 155.4580 155.7860 156.2005 156.5834 156.7461 157.0327 157.1230 157.3625 157.7761 157.9779 158.0773 158.2264 158.6424 158.9887 159.6043 159.7437 159.8495 160.0551 160.2248 160.8865 161.6282 161.9007 162.2541 162.6963 163.3277 164.1715 165.3162 166.9630 167.3709 168.4952 169.4746 171.9324 172.4509 172.8368 172.9716 174.4882 176.5094 177.3613 178.6400 179.6209 181.1664 182.2365 185.3079 186.2382 186.6732 187.3098 189.0963 189.6408 191.8667 192.6766 193.9720 195.5292 196.2943 199.1398 201.9570 204.7771 206.6250 206.7268 618.3564 620.1383 621.9102 628.2607 630.6449 631.1426 632.0462 634.0240 634.1942 635.1533 635.9190 636.6073 636.6951 638.4265 639.6648 642.3500 643.1049 644.8602 647.7093 650.5213 651.0133 657.1840 658.0372 1199.6680 1209.7950 1215.0165 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 -0.286601 -0.475192 -0.327614 0.149252 -0.001268 -0.141789 -0.262252 -0.293074 -0.265532 0.418801 -0.032685 -0.227859 -0.250828 0.083161 -0.011041 -0.225321 -0.189108 0.288718 -0.122886 -0.250831 0.278003 -0.238194 -0.196835 -0.125347 -0.140393 -0.180946 0.095601 0.089463 0.089020 0.095092 0.098240 0.093353 0.099349 0.094595 0.119337 0.093004 0.088548 0.094340 0.096780 0.087712 0.095586 0.125568 0.112954 0.140341 0.138591 0.156215 0.145565 0.145631 0.157554 0.157727 0.159464 0.158030 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 8.2866 8.4752 8.3276 5.8507 6.0013 6.1418 6.2623 6.2931 6.2655 5.5812 6.0327 6.2279 6.2508 5.9168 6.0110 6.2253 6.1891 5.7113 6.1229 6.2508 5.7220 6.2382 6.1968 6.1253 6.1404 6.1809 0.9044 0.9105 0.9110 0.9049 0.9018 0.9066 0.9007 0.9054 0.8807 0.9070 0.9115 0.9057 0.9032 0.9123 0.9044 0.8744 0.8870 0.8597 0.8614 0.8438 0.8544 0.8544 0.8424 0.8423 0.8405 0.8420 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 -0.2866 -0.4752 -0.3276 0.1493 -0.0013 -0.1418 -0.2623 -0.2931 -0.2655 0.4188 -0.0327 -0.2279 -0.2508 0.0832 -0.0110 -0.2253 -0.1891 0.2887 -0.1229 -0.2508 0.2780 -0.2382 -0.1968 -0.1253 -0.1404 -0.1809 0.0956 0.0895 0.0890 0.0951 0.0982 0.0934 0.0993 0.0946 0.1193 0.0930 0.0885 0.0943 0.0968 0.0877 0.0956 0.1256 0.1130 0.1403 0.1386 0.1562 0.1456 0.1456 0.1576 0.1577 0.1595 0.1580 2.1241 2.0331 2.0784 3.6695 3.7717 3.8912 3.9068 3.9035 3.8731 4.1756 3.7122 3.9267 3.9442 3.8101 3.6496 3.9468 3.9298 3.7209 3.9196 4.0024 3.6951 4.0124 3.9295 3.8836 3.8846 3.9039 1.0280 1.0379 1.0032 1.0033 1.0028 1.0192 0.9993 1.0012 1.0082 0.9962 1.0081 0.9956 0.9979 1.0086 0.9974 0.9948 1.0109 1.0110 1.0150 0.9899 1.0073 1.0077 0.9967 0.9894 0.9902 0.9906 2.1241 2.0331 2.0784 3.6695 3.7717 3.8912 3.9068 3.9035 3.8731 4.1756 3.7122 3.9267 3.9442 3.8101 3.6496 3.9468 3.9298 3.7209 3.9196 4.0024 3.6951 4.0124 3.9295 3.8836 3.8846 3.9039 1.0280 1.0379 1.0032 1.0033 1.0028 1.0192 0.9993 1.0012 1.0082 0.9962 1.0081 0.9956 0.9979 1.0086 0.9974 0.9948 1.0109 1.0110 1.0150 0.9899 1.0073 1.0077 0.9967 0.9894 0.9902 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 -0.0000 1.1861 0.8554 1.8892 0.9774 0.9174 0.8812 0.8839 0.9373 0.9398 0.9441 0.9594 1.0018 1.0273 1.0196 0.9854 0.9963 0.9904 0.9870 0.9936 0.9911 1.8479 0.9933 0.9664 0.9627 0.9822 0.9998 0.9811 0.9849 1.0042 0.9818 0.9132 0.9844 1.0182 1.3905 1.3603 1.3834 0.9556 1.4286 0.9852 1.3610 1.4505 0.9822 0.9842 1.3932 1.3562 1.4246 0.9833 1.4215 0.9709 1.4101 0.9777 1.4080 0.9758 0.9809 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 -0.023227337 -1117.892989918772 -34.41326 33.52084 -0.89242 -10.71355 11.08416 0.37061 2.41307 -3.26784 -0.85476 1.29011 3.27920