Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl F F F F F F O O O N N 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 1 2 2 2 2 2 2 3 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 477.67971919999974 AuxInfo=1/0/N:33,31,32,24,18,20,22,23,17,16,13,21,29,30,19,15,14,26,28,27,25,1,6,7,2,3,4,5,11,12,10,9,8/E:(2,3)(13,14)(23,24)(26,27,28)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,31.1,32.1/rA:44nClFFFFFFOO1O1NNC3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHH/rB:;;;;;;;;;;;s8;s8;s11;;s13;s13;s2s15s17;s15s18;s1s14;s14;s16s21;s16s22;s3s4s5s16;;s9s11s12;s10s12s26;s6s26;s7s26;s29;s30;s31s32;s17;s18;s20;s22;s23;s24;s11;s12;s31;s32;s33;/rC:3.6261,-.9789,2.2321;-1.2825,-3.2341,-.0718;6.9301,2.9119,-.3249;7.9787,1.6837,1.0922;8.37,1.4708,-1.0125;-5.5899,2.203,1.3843;-7.0469,-.7958,-1.88;3.218,-2.0756,-.4788;-2.5481,-1.2134,1.7412;-4.3435,.4627,-1.5868;-2.1419,-.6236,-.4109;-4.2465,-.3247,.5513;1.9211,-1.6514,-.4432;4.2184,-1.1573,-.391;-.7776,-.9655,-.392;6.3129,.6501,-.2113;.9678,-2.6415,-.2425;1.5461,-.3274,-.6203;-.3615,-2.2817,-.2331;.1997,-.0008,-.5808;4.5341,-.5679,.8294;4.958,-.8396,-1.5171;5.5767,.3354,.923;6.0068,.0606,-1.4307;7.4021,1.6742,-.1142;-6.2747,.6752,-.2403;-2.9182,-.7539,.6801;-4.8633,.2671,-.5075;-6.5923,1.6468,.6969;-7.3248,.1428,-.9739;-7.8857,2.0677,.9238;-8.6345,.5273,-.7813;-8.9032,1.4942,.1762;1.2584,-3.6757,-.1067;2.2755,.4544,-.784;-.1007,1.0314,-.707;4.7108,-1.3036,-2.4631;5.8018,.7821,1.882;6.5689,.2943,-2.3246;-2.5254,-.1795,-1.2367;-4.7951,-.4784,1.3886;-8.0914,2.8291,1.6636;-9.4265,.0789,-1.3654;-9.9249,1.8084,.3403; 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 1740 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 246 Dim 1188 ENuc 3314.9001270264 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 6.891e-06 Time for diagonalization 0.482 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.377 sec Total time needed 0.870 sec 17 9 9 9 9 9 9 8 8 8 7 7 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 1 477.67971919999974 AuxInfo=1/0/N:33,31,32,24,18,20,22,23,17,16,13,21,29,30,19,15,14,26,28,27,25,1,6,7,2,3,4,5,11,12,10,9,8/E:(2,3)(13,14)(23,24)(26,27,28)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,31.1,32.1/rA:44nClFFFFFFOO1O1NNC3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHH/rB:;;;;;;;;;;;s8;s8;s11;;s13;s13;s2s15s17;s15s18;s1s14;s14;s16s21;s16s22;s3s4s5s16;;s9s11s12;s10s12s26;s6s26;s7s26;s29;s30;s31s32;s17;s18;s20;s22;s23;s24;s11;s12;s31;s32;s33;/rC:3.6261,-.9789,2.2321;-1.2825,-3.2341,-.0718;6.9301,2.9119,-.3249;7.9787,1.6837,1.0922;8.37,1.4708,-1.0125;-5.5899,2.203,1.3843;-7.0469,-.7958,-1.88;3.218,-2.0756,-.4788;-2.5481,-1.2134,1.7412;-4.3435,.4627,-1.5868;-2.1419,-.6236,-.4109;-4.2465,-.3247,.5513;1.9211,-1.6514,-.4432;4.2184,-1.1573,-.391;-.7776,-.9655,-.392;6.3129,.6501,-.2113;.9678,-2.6415,-.2425;1.5461,-.3274,-.6203;-.3615,-2.2817,-.2331;.1997,-.0008,-.5808;4.5341,-.5679,.8294;4.958,-.8396,-1.5171;5.5767,.3354,.923;6.0068,.0606,-1.4307;7.4021,1.6742,-.1142;-6.2747,.6752,-.2403;-2.9182,-.7539,.6801;-4.8633,.2671,-.5075;-6.5923,1.6468,.6969;-7.3248,.1428,-.9739;-7.8857,2.0677,.9238;-8.6345,.5273,-.7813;-8.9032,1.4942,.1762;1.2584,-3.6757,-.1067;2.2755,.4544,-.784;-.1007,1.0314,-.707;4.7108,-1.3036,-2.4631;5.8018,.7821,1.882;6.5689,.2942,-2.3246;-2.5254,-.1795,-1.2367;-4.7951,-.4784,1.3886;-8.0914,2.8291,1.6636;-9.4265,.0789,-1.3654;-9.9249,1.8084,.3403; 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" 477.67971919999974 AuxInfo=1/0/N:33,31,32,24,18,20,22,23,17,16,13,21,29,30,19,15,14,26,28,27,25,1,6,7,2,3,4,5,11,12,10,9,8/E:(2,3)(13,14)(23,24)(26,27,28)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,31.1,32.1/rA:44nClFFFFFFOO1O1NNC3C3C3C3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHH/rB:;;;;;;;;;;;s8;s8;s11;;s13;s13;s2s15s17;s15s18;s1s14;s14;s16s21;s16s22;s3s4s5s16;;s9s11s12;s10s12s26;s6s26;s7s26;s29;s30;s31s32;s17;s18;s20;s22;s23;s24;s11;s12;s31;s32;s33;/rC:3.6261,-.9789,2.2321;-1.2825,-3.2341,-.0718;6.9301,2.9119,-.3249;7.9787,1.6837,1.0922;8.37,1.4708,-1.0125;-5.5899,2.203,1.3843;-7.0469,-.7958,-1.88;3.218,-2.0756,-.4788;-2.5481,-1.2134,1.7412;-4.3435,.4627,-1.5868;-2.1419,-.6236,-.4109;-4.2465,-.3247,.5513;1.9211,-1.6514,-.4432;4.2184,-1.1573,-.391;-.7776,-.9655,-.392;6.3129,.6501,-.2113;.9678,-2.6415,-.2425;1.5461,-.3274,-.6203;-.3615,-2.2817,-.2331;.1997,-.0008,-.5808;4.5341,-.5679,.8294;4.958,-.8396,-1.5171;5.5767,.3354,.923;6.0068,.0606,-1.4307;7.4021,1.6742,-.1142;-6.2747,.6752,-.2403;-2.9182,-.7539,.6801;-4.8633,.2671,-.5075;-6.5923,1.6468,.6969;-7.3248,.1428,-.9739;-7.8857,2.0677,.9238;-8.6345,.5273,-.7813;-8.9032,1.4942,.1762;1.2584,-3.6757,-.1067;2.2755,.4544,-.784;-.1007,1.0314,-.707;4.7108,-1.3036,-2.4631;5.8018,.7821,1.882;6.5689,.2943,-2.3246;-2.5254,-.1795,-1.2367;-4.7951,-.4784,1.3886;-8.0914,2.8291,1.6636;-9.4265,.0789,-1.3654;-9.9249,1.8084,.3403; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2514 GEPOL Volume 2948.0927 GEPOL Surface-area 1606.0724 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.6s -2201.57955802 3314.90012703 -5516.47968505 -9621.63207947 4105.15239442 -0.03894580 -4396.07947297 2194.49991495 2.00322608 123.000120825219 123.000120825219 246.000241650437 -175.409767313982 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 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.5807 -675.5087 -675.4946 -675.4172 -675.2962 -675.2506 -675.0722 -525.0022 -523.5412 -522.8729 -394.0504 -393.5148 -286.6977 -283.8425 -283.7260 -282.7353 -282.7172 -282.3962 -282.1149 -282.0088 -281.8676 -281.0778 -280.7729 -280.7273 -280.5879 -280.4452 -280.4135 -280.2943 -280.2030 -280.1332 -280.1210 -280.0142 -279.9426 -260.8499 -199.6902 -199.4487 -199.4375 -39.3202 -37.2408 -37.2065 -37.0073 -36.8147 -36.7238 -33.4522 -32.9770 -32.3100 -29.3109 -28.9241 -28.1259 -27.4806 -26.9566 -26.7226 -25.0729 -24.8009 -24.1084 -24.0739 -23.8677 -23.7218 -22.5813 -21.9594 -21.1121 -20.6354 -20.5506 -20.4829 -20.3741 -20.0138 -19.4329 -19.3021 -19.2335 -18.8442 -18.7406 -18.4732 -18.3943 -17.8166 -17.5686 -17.3803 -17.0493 -16.8717 -16.6692 -16.5567 -16.4392 -16.0890 -16.0653 -15.9987 -15.9286 -15.8546 -15.8014 -15.6491 -15.5079 -15.2140 -15.1945 -15.0046 -14.9922 -14.9130 -14.8133 -14.7044 -14.5854 -14.2903 -14.2319 -14.1924 -14.0911 -13.7167 -13.6848 -13.4086 -13.2457 -13.0735 -13.0080 -12.9603 -12.9173 -12.6758 -12.2694 -12.1135 -11.5052 -11.1886 -10.8626 -10.6397 -10.5137 -9.8735 -9.8279 -9.5587 -9.4988 -9.4489 -8.7542 0.6133 0.8726 0.9821 1.4831 1.5874 1.7146 1.9313 2.8958 3.2844 3.7789 3.8412 3.9934 4.1779 4.2655 4.5124 4.7298 4.8281 4.8911 5.0431 5.1044 5.3100 5.3835 5.4611 5.4861 5.6294 5.7009 5.8782 6.1025 6.1221 6.2928 6.3140 6.4762 6.5281 6.6519 6.8040 7.1225 7.2525 7.3495 7.4874 7.5225 7.6033 7.6792 7.7708 7.9013 8.0411 8.1844 8.2902 8.3319 8.3406 8.5320 8.6283 8.6892 8.7259 8.8924 8.9196 9.0617 9.1096 9.2055 9.2951 9.3639 9.5977 9.6965 9.7561 9.8527 9.9802 10.0211 10.0667 10.2426 10.3705 10.5558 10.7106 10.8033 10.9122 10.9730 11.0481 11.1234 11.1646 11.2848 11.4279 11.5173 11.5698 11.6997 11.7418 11.7632 11.9174 12.0039 12.0334 12.0870 12.1871 12.2840 12.3554 12.4704 12.5097 12.6470 12.8640 12.9077 13.0085 13.0505 13.2090 13.3560 13.4075 13.4555 13.5724 13.6215 13.7972 13.8850 13.9385 14.0205 14.0507 14.2619 14.3772 14.3892 14.4621 14.5147 14.5858 14.6701 14.8592 14.9783 15.1320 15.1639 15.2605 15.5219 15.5681 15.6027 15.8018 16.0087 16.0472 16.1487 16.2757 16.4367 16.5629 16.6206 16.7925 16.9281 17.0680 17.1110 17.2775 17.3896 17.4784 17.6476 17.7534 17.7853 17.8774 18.0201 18.0821 18.1717 18.2884 18.7029 18.8773 18.9930 19.0678 19.2383 19.3213 19.5592 19.6908 19.7293 19.8351 19.8989 20.0580 20.1776 20.2872 20.2910 20.4521 20.5562 20.6280 20.7488 20.9258 20.9677 21.0435 21.2252 21.4061 21.5559 21.6431 21.7835 21.8006 21.8167 22.0399 22.1083 22.2768 22.3684 22.5028 22.6905 22.7905 22.8056 23.0564 23.0671 23.1829 23.3041 23.3915 23.5160 23.5318 23.6627 23.8829 23.9755 24.0648 24.1412 24.2932 24.4571 24.5432 24.6803 24.8830 25.0210 25.0570 25.1112 25.2070 25.3935 25.4516 25.4783 25.6843 25.8606 26.1213 26.2276 26.3563 26.4912 26.5458 26.8837 27.0697 27.1513 27.3131 27.3441 27.5095 27.6589 27.7575 27.8482 27.9361 28.1043 28.1478 28.3071 28.4630 28.5318 28.6207 28.8940 28.9304 29.0438 29.2097 29.3262 29.4634 29.4925 29.7047 29.7781 30.0436 30.1163 30.4797 30.5055 30.6384 30.7455 30.9869 31.1677 31.2633 31.3339 31.4340 31.6551 31.9097 32.0498 32.1177 32.1940 32.3786 32.4843 32.8216 32.9772 33.2412 33.3790 33.4782 33.5166 34.0656 34.1334 34.2605 34.4997 34.6808 34.8087 34.9811 35.0262 35.1908 35.2336 35.4836 35.5386 35.7143 35.7973 35.9842 36.1020 36.2763 36.3449 36.7983 36.9893 37.0780 37.1668 37.3025 37.3538 37.6124 37.8988 37.9720 38.0474 38.1437 38.2381 38.4020 38.5796 38.8389 38.9234 39.0099 39.2734 39.3366 39.5743 39.6641 39.7940 39.9003 40.0029 40.1749 40.3115 40.4339 40.6033 40.6767 40.8414 41.0769 41.3163 41.4921 41.7280 41.8276 41.8789 42.2388 42.3452 42.4419 42.8174 42.8869 43.0122 43.0796 43.2545 43.5192 43.8473 43.8840 44.0654 44.2532 44.4348 44.5787 44.7369 44.9159 45.0932 45.1556 45.1786 45.3934 45.5122 45.5521 46.1268 46.3801 46.4646 46.7071 46.7280 46.7703 46.8998 47.0986 47.4330 47.5146 47.6532 47.7938 48.0214 48.1289 48.3076 48.5155 48.6215 48.6965 48.9870 49.0902 49.3985 49.4590 49.6459 49.7976 50.0549 50.2985 50.3874 50.4565 50.6604 50.8844 51.3999 51.6167 51.7566 51.8936 51.9256 52.0618 52.2068 52.4753 52.7533 53.0999 53.3092 53.4010 53.6604 53.8487 54.0398 54.1634 54.2547 54.3702 54.6100 54.7595 54.8801 55.0984 55.3502 55.6119 55.7259 55.7947 56.1194 56.2944 56.3271 56.5203 56.6750 57.0388 57.0592 57.1591 57.3851 57.6066 57.7179 57.9249 57.9396 58.3118 58.6857 58.6932 58.9338 59.1929 59.2219 59.3717 59.8031 59.9131 60.0090 60.2263 60.3064 60.3848 60.4919 60.6855 60.8192 61.1976 61.2715 61.3261 61.6032 62.0378 62.1475 62.3787 62.6421 62.9628 63.0040 63.2285 63.4435 63.6308 63.6841 63.7321 63.8242 63.9317 64.2031 64.2932 64.3771 64.8047 64.9075 64.9595 65.1353 65.2483 65.4651 65.6875 65.9681 66.2520 66.4396 66.4923 66.7314 66.7521 66.9038 66.9668 67.1407 67.2780 67.3334 67.4085 67.6431 67.7775 68.2394 68.3215 68.4920 69.1422 69.4559 69.6992 70.0868 70.2283 70.7261 70.8257 70.9543 71.0883 71.4312 71.9895 72.0382 72.4041 72.8217 73.0085 73.2897 73.5393 73.7185 73.8371 74.1731 74.4195 74.9002 75.0022 75.1143 75.2659 75.4977 75.6414 75.8513 76.0279 76.1432 76.2213 76.5014 76.9278 77.1685 77.3235 77.4742 77.6206 77.6592 77.8063 78.0925 78.3105 78.6735 78.7721 78.9381 78.9627 79.1173 79.1288 79.3520 79.5374 79.6199 79.6668 79.8418 79.9897 80.0812 80.1011 80.2039 80.3188 80.3965 80.5590 80.7205 80.7802 81.0130 81.0833 81.1279 81.4666 81.4771 81.6818 81.8942 82.0162 82.2033 82.3669 82.5214 82.5876 82.6770 82.7253 82.7881 82.8446 82.9345 83.1568 83.2422 83.2895 83.4027 83.6027 83.6716 83.7624 84.0544 84.1560 84.3656 84.4539 84.6525 84.7043 84.8262 84.9964 85.1328 85.1763 85.4164 85.4941 85.7034 85.7922 85.9887 86.0386 86.0820 86.2335 86.5405 86.6396 86.8306 86.9957 87.0807 87.2247 87.4408 87.5204 87.6946 87.7589 87.8935 87.9463 88.1679 88.2662 88.4096 88.4835 88.4965 88.5672 88.6841 88.8972 89.0094 89.0481 89.2274 89.3789 89.4779 89.7120 89.8513 90.0900 90.2368 90.5095 90.5695 90.7589 90.9164 91.0357 91.1259 91.2360 91.4243 91.4791 91.5236 91.6221 91.6755 92.0204 92.1786 92.2652 92.3351 92.5231 92.6564 92.7222 92.8329 93.0960 93.2697 93.3709 93.5462 93.5907 93.7498 93.9160 94.0450 94.2736 94.4349 94.5161 94.5478 94.7484 94.8461 94.9379 95.1179 95.2825 95.3709 95.4474 95.7385 96.0696 96.0914 96.2374 96.3494 96.3797 96.5340 96.6153 96.6767 96.8663 96.9622 97.1177 97.2492 97.3893 97.4018 97.5820 97.8855 98.0371 98.0462 98.1937 98.4161 98.5922 98.6388 98.7413 99.0478 99.2016 99.4041 99.5539 99.6915 99.8467 100.0523 100.1776 100.3488 100.5160 100.7485 100.7750 101.0075 101.3588 101.6333 101.7591 101.9902 102.0781 102.2922 102.6643 102.7464 102.8187 103.1857 103.3330 103.4380 103.6064 103.7689 103.9097 104.0229 104.2286 104.3832 104.7337 104.8156 104.9929 105.2255 105.3304 105.4665 105.6230 105.8228 105.9836 106.0550 106.3101 106.3157 106.5185 106.7822 107.0374 107.2484 107.3158 107.5041 107.5876 107.8145 107.8887 108.1628 108.6345 108.8037 108.8432 109.0371 109.1445 109.4049 109.5948 110.0956 110.2909 110.4266 110.6271 110.6584 110.8311 111.0495 111.1493 111.2684 111.4636 111.6355 111.9294 111.9905 112.2142 112.4050 112.5981 112.7777 112.8353 113.3988 113.6009 113.6666 113.9656 114.0815 114.1696 114.3983 114.5604 114.8115 115.0113 115.1421 115.4546 115.5081 115.8182 116.0051 116.2541 116.3989 116.5081 116.5980 116.7285 116.9238 117.2509 117.2962 117.3728 117.4743 117.7019 117.7145 117.8136 117.9094 118.2287 118.4240 118.4819 118.5338 118.9229 119.0652 119.2031 119.4681 119.6754 119.9460 119.9588 120.2175 120.4171 120.6329 120.9791 121.0860 121.1462 121.2910 121.6283 121.7218 122.2932 122.4150 122.6186 122.9935 123.1761 123.2542 123.6267 123.8706 124.2786 124.5362 125.1421 125.4368 125.8366 126.0589 126.2096 126.3523 126.9892 127.3209 127.4089 128.0314 128.2775 128.5491 128.8633 129.2953 129.5319 129.6271 129.9892 130.2363 130.3218 130.6595 130.7063 130.8319 131.0329 131.1703 131.5369 131.8045 131.8547 131.9903 132.2652 132.4891 133.0973 133.3022 133.5525 133.7266 134.1081 134.6192 134.7906 135.1158 135.2504 135.3499 135.5161 135.7278 135.9470 136.1811 136.5582 137.7575 138.3394 138.8158 139.6152 139.7626 140.2972 140.4186 140.9707 141.6176 141.7887 142.1834 142.3470 142.7071 142.9499 143.3347 144.0730 144.4291 144.5291 144.6675 144.8661 145.1356 145.3594 145.8362 146.3232 146.5656 146.7910 147.0233 147.4020 147.6827 147.9185 148.4154 148.9244 149.1243 149.6820 149.8141 150.0836 150.1760 150.4854 150.7243 151.1461 151.2807 151.4492 151.5302 151.6808 152.0409 152.7836 153.3316 153.7548 153.8840 154.4217 154.5503 154.8167 155.6099 156.4959 156.6716 156.9367 157.9412 158.0527 158.2076 158.7706 159.5432 159.7182 161.0593 161.2801 162.1555 162.3782 163.6035 164.0833 164.9282 165.7824 166.3939 166.4420 167.3153 170.3174 171.0014 171.3660 171.4481 172.1453 173.7060 174.5485 175.9146 176.7204 177.1615 177.4759 178.0744 179.0132 179.7454 181.2263 182.1870 183.6665 185.0839 187.3340 187.4711 187.5221 188.0313 188.1851 188.5039 188.5925 188.6536 188.7382 188.9740 189.0272 189.0342 189.1238 189.2478 189.3405 189.3857 189.4574 189.4987 189.8418 189.9412 190.4087 192.2723 192.3133 192.6723 192.7519 192.7672 192.8061 194.2910 194.7474 195.2096 195.5271 195.5927 195.7242 195.8776 196.2958 196.5914 196.6860 197.6606 199.1964 199.9489 200.0438 200.6673 202.6930 202.7509 203.1465 204.8449 205.0307 205.5669 205.9778 206.3958 206.8023 209.6563 209.8955 209.9672 212.0164 212.6372 222.4156 223.6691 224.1409 227.6657 227.8634 228.4491 228.9880 229.5226 230.0560 230.1778 230.2292 232.9285 232.9475 235.1068 235.4073 235.5444 235.8088 238.8632 240.6980 240.9191 241.1544 241.1684 241.1991 244.0290 245.6463 247.1314 247.3232 247.4267 247.4521 247.9823 248.1778 248.6524 248.8136 250.2394 251.4059 295.2796 298.5167 312.9118 611.4716 614.0643 618.6647 625.6638 626.8675 629.5930 630.1629 631.1517 631.8162 632.6496 633.8345 634.0068 634.7283 634.8401 635.5355 636.4192 643.2151 646.6888 653.1408 654.1361 654.3351 717.1329 898.7763 904.1857 1197.4185 1199.2321 1214.8877 1558.7838 1559.0096 1561.0131 1562.1886 1563.7943 1564.3118 -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 Cl F F F F F F O O O N N 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 -0.056520 -0.207712 -0.179713 -0.180239 -0.179298 -0.206297 -0.201851 -0.311147 -0.491896 -0.445081 -0.221275 -0.158858 0.238466 0.191604 0.074171 -0.028077 -0.219381 -0.145701 0.263080 -0.203553 0.051587 -0.146273 -0.147478 -0.149342 0.555619 -0.136064 0.413040 0.403911 0.309052 0.303842 -0.243351 -0.245506 -0.065644 0.140289 0.152623 0.153323 0.154884 0.133628 0.153742 0.207750 0.197790 0.152773 0.152504 0.166579 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 Cl F F F F F F O O O N N 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 17.0565 9.2077 9.1797 9.1802 9.1793 9.2063 9.2019 8.3111 8.4919 8.4451 7.2213 7.1589 5.7615 5.8084 5.9258 6.0281 6.2194 6.1457 5.7369 6.2036 5.9484 6.1463 6.1475 6.1493 5.4444 6.1361 5.5870 5.5961 5.6909 5.6962 6.2434 6.2455 6.0656 0.8597 0.8474 0.8467 0.8451 0.8664 0.8463 0.7922 0.8022 0.8472 0.8475 0.8334 17.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 -0.0565 -0.2077 -0.1797 -0.1802 -0.1793 -0.2063 -0.2019 -0.3111 -0.4919 -0.4451 -0.2213 -0.1589 0.2385 0.1916 0.0742 -0.0281 -0.2194 -0.1457 0.2631 -0.2036 0.0516 -0.1463 -0.1475 -0.1493 0.5556 -0.1361 0.4130 0.4039 0.3091 0.3038 -0.2434 -0.2455 -0.0656 0.1403 0.1526 0.1533 0.1549 0.1336 0.1537 0.2078 0.1978 0.1528 0.1525 0.1666 1.2569 1.0885 1.1090 1.1221 1.1232 1.0881 1.0976 2.1014 2.0321 2.0640 3.1339 3.1934 3.7134 3.8344 3.6059 3.6881 3.9956 3.8879 4.1010 4.0890 3.9666 3.9770 4.0922 3.9945 4.4169 3.5452 4.3512 4.0883 3.9331 3.9607 3.9638 3.9599 3.8104 1.0161 1.0006 1.0054 1.0005 1.0278 1.0059 1.0306 1.0043 1.0004 1.0009 0.9847 1.2569 1.0885 1.1090 1.1221 1.1232 1.0881 1.0976 2.1014 2.0321 2.0640 3.1339 3.1934 3.7134 3.8344 3.6059 3.6881 3.9956 3.8879 4.1010 4.0890 3.9666 3.9770 4.0922 3.9945 4.4169 3.5452 4.3512 4.0883 3.9331 3.9607 3.9638 3.9599 3.8104 1.0161 1.0006 1.0054 1.0005 1.0278 1.0059 1.0306 1.0043 1.0004 1.0009 0.9847 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.0728 1.0374 1.1316 1.1287 1.1318 1.0391 1.0599 0.9902 0.9466 1.9381 1.8912 0.8396 1.2703 0.9158 1.0530 1.1963 0.9358 1.3434 1.3219 1.3282 1.4102 1.3640 1.4005 1.4005 1.3708 0.9918 1.5002 0.9823 1.4649 0.9684 0.9639 1.4347 1.4409 0.9752 0.9542 0.9714 0.9032 1.3272 1.3251 1.4603 1.4633 1.3833 0.9825 1.3800 0.9818 0.9664 0 20 1 18 2 24 3 24 4 24 5 28 6 29 7 12 7 13 8 26 9 27 10 14 10 26 10 39 11 26 11 27 11 40 12 16 12 17 13 20 13 21 14 18 14 19 15 22 15 23 15 24 16 18 16 33 17 19 17 34 19 35 20 22 21 23 21 36 22 37 23 38 25 27 25 28 25 29 28 30 29 31 30 32 30 41 31 32 31 42 32 43 -0.021520412 -2201.601078432245 -27.08810 25.20266 -1.88544 -0.90251 1.97185 1.06934 -5.75347 4.93841 -0.81506 2.31575 5.88616