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 44 45 46 Cl Cl F O O O N 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 1 1 2 3 3 3 4 5 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 6 6 6 6 6 6 6 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-5.0317,2.3012,1.0527;-5.3682,4.4236,-.8711;4.3433,-3.3027,-1.5829;1.2366,1.8523,-.1594;-.151,.5622,1.0304;3.0214,-3.4393,.7362;4.0433,3.3898,.6897;-1.8263,.6906,-1.6153;-2.4277,1.6107,-.5927;-.9489,1.7119,-.9128;-2.0686,.9327,-3.0854;-1.7338,-.7759,-1.2691;-3.3004,2.7279,-.9743;.0387,1.2992,.0978;-4.4104,3.0917,-.3444;2.333,1.4171,.6428;2.9347,.1617,.0668;3.2844,2.5289,.6506;2.7161,-1.0489,.7076;3.6368,.2015,-1.1333;3.1875,-2.2263,.1464;4.1283,-.9674,-1.6872;3.8892,-2.1672,-1.0486;1.7669,-3.8035,1.1575;1.6904,-4.5731,2.3089;.6208,-3.4608,.4517;.4501,-5.0032,2.7577;-.613,-3.8905,.919;-.7064,-4.6595,2.0708;-2.6546,1.1399,.3572;-.6427,2.5507,-1.5278;-1.3142,.4139,-3.6793;-3.0455,.545,-3.3801;-2.029,1.9858,-3.3617;-.8605,-1.2321,-1.7399;-1.6828,-.9648,-.1995;-2.6176,-1.2916,-1.6493;-3.0205,3.3148,-1.8412;2.0247,1.254,1.6798;2.1757,-1.0826,1.6458;3.8126,1.1402,-1.644;4.6812,-.9525,-2.6173;2.5935,-4.8318,2.8474;.6781,-2.8703,-.4543;.3907,-5.6032,3.6566;-1.5067,-3.6236,.3691;-1.6722,-4.9911,2.4282; 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 1623 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 224 Dim 1173 ENuc 2942.3780627288 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 7.773e-06 Time for diagonalization 0.450 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.418 sec Total time needed 0.884 sec 17 17 9 8 8 8 7 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 1 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-5.0317,2.3012,1.0527;-5.3682,4.4236,-.8711;4.3433,-3.3027,-1.5829;1.2366,1.8523,-.1594;-.151,.5622,1.0304;3.0214,-3.4393,.7362;4.0433,3.3898,.6897;-1.8263,.6906,-1.6153;-2.4277,1.6107,-.5927;-.9489,1.7119,-.9128;-2.0686,.9327,-3.0854;-1.7338,-.7759,-1.2691;-3.3004,2.7279,-.9743;.0387,1.2992,.0978;-4.4104,3.0917,-.3444;2.333,1.4171,.6428;2.9347,.1617,.0668;3.2844,2.5289,.6506;2.7161,-1.0489,.7076;3.6368,.2015,-1.1333;3.1875,-2.2263,.1464;4.1283,-.9674,-1.6872;3.8892,-2.1672,-1.0486;1.7669,-3.8035,1.1575;1.6904,-4.5731,2.3089;.6208,-3.4608,.4517;.4501,-5.0032,2.7577;-.613,-3.8905,.919;-.7064,-4.6595,2.0708;-2.6546,1.1399,.3572;-.6427,2.5507,-1.5278;-1.3142,.4139,-3.6793;-3.0455,.545,-3.3801;-2.029,1.9858,-3.3617;-.8605,-1.2321,-1.7399;-1.6828,-.9648,-.1995;-2.6176,-1.2916,-1.6493;-3.0205,3.3148,-1.8412;2.0247,1.254,1.6798;2.1757,-1.0826,1.6458;3.8126,1.1402,-1.644;4.6812,-.9525,-2.6173;2.5935,-4.8318,2.8474;.6781,-2.8703,-.4543;.3907,-5.6032,3.6566;-1.5067,-3.6236,.3691;-1.6722,-4.9911,2.4282; 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" 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-5.0317,2.3012,1.0527;-5.3682,4.4236,-.8711;4.3433,-3.3027,-1.5829;1.2366,1.8523,-.1594;-.151,.5622,1.0304;3.0214,-3.4393,.7362;4.0433,3.3898,.6897;-1.8263,.6906,-1.6153;-2.4277,1.6107,-.5927;-.9489,1.7119,-.9128;-2.0686,.9327,-3.0854;-1.7338,-.7759,-1.2691;-3.3004,2.7279,-.9743;.0387,1.2992,.0978;-4.4104,3.0917,-.3444;2.333,1.4171,.6428;2.9347,.1617,.0668;3.2844,2.5289,.6506;2.7161,-1.0489,.7076;3.6368,.2015,-1.1333;3.1875,-2.2263,.1464;4.1283,-.9674,-1.6872;3.8892,-2.1672,-1.0486;1.7669,-3.8035,1.1575;1.6904,-4.5731,2.3089;.6208,-3.4608,.4517;.4501,-5.0032,2.7577;-.613,-3.8905,.919;-.7064,-4.6595,2.0708;-2.6546,1.1399,.3572;-.6427,2.5507,-1.5278;-1.3142,.4139,-3.6793;-3.0455,.545,-3.3801;-2.029,1.9858,-3.3617;-.8605,-1.2321,-1.7399;-1.6828,-.9648,-.1995;-2.6176,-1.2916,-1.6493;-3.0205,3.3148,-1.8412;2.0247,1.254,1.6798;2.1757,-1.0826,1.6458;3.8126,1.1402,-1.644;4.6812,-.9525,-2.6173;2.5935,-4.8318,2.8474;.6781,-2.8703,-.4543;.3907,-5.6032,3.6566;-1.5067,-3.6236,.3691;-1.6722,-4.9911,2.4282; 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 2772 GEPOL Volume 3021.8273 GEPOL Surface-area 1683.3672 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -2149.93873175 2942.37806273 -5092.31679448 -8797.45808268 3705.14128820 -0.03206722 -4293.40695608 2143.46822433 2.00301871 112.000042172297 112.000042172297 224.000084344594 -159.160248784838 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.6773 -2765.6277 -675.1273 -525.2476 -524.8138 -523.4126 -392.9584 -283.7385 -282.8689 -282.8161 -282.3610 -281.8678 -281.6249 -281.2893 -280.6682 -280.5979 -280.4128 -280.4041 -280.3573 -280.2818 -280.2129 -280.1756 -279.8602 -279.8475 -279.8124 -279.7648 -279.6590 -279.3587 -279.2948 -260.9456 -260.8955 -199.7871 -199.7390 -199.5411 -199.5346 -199.4886 -199.4851 -37.0594 -34.1524 -33.1792 -31.5920 -28.4966 -28.4411 -27.6829 -27.4195 -26.7295 -26.0177 -25.5164 -24.4006 -24.1317 -23.7954 -23.7096 -23.2729 -22.9842 -21.9975 -21.2896 -20.9489 -20.2822 -19.7859 -19.5523 -19.2015 -18.5588 -18.2801 -18.1923 -17.8829 -17.5064 -17.1927 -16.9660 -16.7419 -16.3283 -16.2380 -16.1855 -16.0103 -15.7551 -15.5129 -15.2816 -14.9861 -14.8878 -14.7723 -14.6624 -14.5072 -14.3220 -14.1269 -14.0300 -13.8898 -13.7733 -13.6484 -13.5838 -13.3840 -13.2586 -13.0589 -12.9223 -12.8510 -12.7530 -12.6208 -12.4333 -12.3129 -12.2015 -12.1499 -11.9138 -11.7617 -11.7564 -11.4997 -11.4170 -11.2152 -10.7931 -10.3843 -9.8268 -9.4741 -9.4113 -8.9310 -8.6351 0.9896 1.2337 1.3651 1.6598 1.9048 2.1233 2.4937 2.5700 2.8928 3.0661 3.2885 3.6249 3.9054 3.9894 4.1427 4.3486 4.4060 4.5080 4.6146 4.8508 4.9507 5.0050 5.1314 5.1778 5.3919 5.5655 5.5888 5.8689 5.9231 5.9676 6.0334 6.0900 6.2126 6.4841 6.5904 6.6680 6.7736 6.9169 7.1114 7.1326 7.2902 7.4100 7.5454 7.6239 7.6639 7.7395 7.8965 7.9853 8.0472 8.0742 8.1408 8.2475 8.3592 8.4192 8.4596 8.6560 8.6833 8.8807 9.1192 9.1268 9.2301 9.3647 9.4324 9.5706 9.6574 9.8247 9.8487 9.9690 10.0329 10.1673 10.3462 10.4358 10.4988 10.5684 10.7393 10.7841 10.8786 10.9278 11.0942 11.1398 11.2104 11.2885 11.3737 11.4295 11.4917 11.6462 11.7101 11.7400 11.8799 11.9363 12.0281 12.0824 12.1745 12.2705 12.3178 12.4742 12.5689 12.6281 12.7352 12.8012 12.8721 12.8923 13.0037 13.1983 13.2665 13.3477 13.4664 13.6333 13.6903 13.7755 13.8232 13.9144 14.0513 14.1200 14.2831 14.3262 14.4184 14.5756 14.6032 14.6828 14.7867 14.9297 14.9856 15.0249 15.1187 15.1904 15.3455 15.4936 15.5337 15.5943 15.6972 15.7774 15.9069 15.9282 15.9836 16.1235 16.1719 16.3196 16.4618 16.6023 16.7477 16.7706 16.8853 16.9750 17.0657 17.2662 17.3406 17.4428 17.5342 17.7872 17.8800 18.1037 18.2025 18.3294 18.4678 18.5732 18.6838 18.8749 19.0865 19.1129 19.2592 19.4080 19.4404 19.5448 19.7153 19.8195 19.8966 20.1184 20.1684 20.3176 20.4703 20.5147 20.5449 20.6642 20.9010 21.0729 21.1453 21.2450 21.3837 21.4212 21.5355 21.6377 21.7350 21.8828 21.9329 22.0522 22.1855 22.4342 22.6252 22.6534 22.7511 23.0152 23.0685 23.3751 23.4393 23.5484 23.5696 23.7923 23.8475 23.9096 24.1250 24.3454 24.4461 24.6550 24.6854 24.8123 24.8854 25.1405 25.2865 25.3516 25.6704 25.8511 25.9099 26.0000 26.3668 26.3896 26.5945 26.7027 27.0003 27.1252 27.2373 27.4079 27.4593 27.5446 27.6500 27.8401 28.0497 28.1060 28.1845 28.3713 28.5043 28.8048 28.8774 28.9378 29.0158 29.3719 29.4551 29.5632 29.6177 29.7679 29.8839 29.9771 30.0886 30.2847 30.3874 30.5919 30.6033 30.9747 31.0267 31.1745 31.2195 31.3726 31.5567 31.6222 31.7591 31.9155 32.1083 32.2577 32.4441 32.5768 32.6524 32.8162 32.9492 33.0300 33.2134 33.3181 33.5283 33.6750 33.8249 33.8997 33.9980 34.2464 34.4465 34.5013 34.5380 34.8091 34.8354 35.0631 35.1840 35.2556 35.4238 35.6325 35.7750 35.8598 36.1354 36.2118 36.3141 36.4276 36.5446 36.6073 36.7524 36.7789 36.9903 37.0953 37.2875 37.4238 37.4981 37.7481 37.8881 38.2033 38.2938 38.3761 38.4781 38.5467 38.6445 38.7635 38.8203 39.0310 39.0621 39.2548 39.4465 39.4998 39.7658 39.8608 39.9289 40.1005 40.2977 40.4678 40.5689 40.7929 40.8718 40.9886 41.1611 41.3130 41.4363 41.6509 41.8321 41.9146 42.0250 42.1107 42.2105 42.3632 42.4821 42.6026 42.7330 42.8180 43.1831 43.2622 43.4269 43.5412 43.8229 43.9616 44.0985 44.2201 44.2735 44.4010 44.4340 44.5888 44.7880 44.8169 44.9366 45.1884 45.3944 45.5104 45.6608 45.8969 46.0615 46.1055 46.2138 46.3413 46.4153 46.5600 46.6698 46.8422 47.0179 47.3034 47.3712 47.6184 47.7751 47.9271 48.0915 48.2150 48.3953 48.6641 48.8868 49.0692 49.1998 49.2658 49.4003 49.6068 49.9958 50.0201 50.2741 50.3482 50.6254 50.7301 50.7827 50.8419 51.0617 51.1024 51.3294 51.4549 51.6178 51.7375 51.9323 52.0350 52.1082 52.3925 52.4044 52.4554 52.5831 52.6996 52.8367 53.0423 53.4366 53.5323 53.9994 54.0264 54.2983 54.4324 54.7541 55.0558 55.1958 55.5208 55.8512 56.1256 56.2257 56.3174 56.3791 56.5765 56.8259 57.0843 57.2517 57.3831 57.4521 57.6137 57.8970 58.1412 58.2380 58.2961 58.4301 58.5074 58.8264 58.8739 59.0571 59.2672 59.3774 59.4856 59.6311 59.8052 59.9363 60.1036 60.2778 60.4822 60.7180 61.0589 61.3776 61.4992 61.7139 61.7354 62.0000 62.3250 62.4757 62.6061 62.8422 62.9852 63.0664 63.2624 63.3809 63.6028 63.9240 64.0474 64.1542 64.5176 64.7079 64.7570 64.8191 65.0260 65.1816 65.3686 65.4583 65.5277 65.9201 66.0239 66.1833 66.3474 66.6994 67.1329 67.2888 67.4047 67.6077 67.6452 67.7361 67.8222 68.1470 68.5493 68.7460 68.9033 69.0162 69.1440 69.2474 69.8056 70.3317 70.6690 70.7318 71.2545 71.4594 71.6215 71.9372 72.2153 72.4366 72.6136 72.9163 73.1400 73.2973 73.5207 73.7696 73.9419 74.0776 74.5454 74.6370 74.7858 74.8782 75.0683 75.2335 75.4546 75.5793 76.0437 76.1659 76.2977 76.4065 76.8227 76.9706 77.0169 77.2279 77.3857 77.6897 77.7661 77.9796 78.0755 78.0917 78.3403 78.4218 78.6209 78.7032 78.8400 78.9776 79.0163 79.2209 79.4472 79.5734 79.5926 79.6565 79.8459 79.9516 80.0424 80.1235 80.2147 80.3384 80.5962 80.6766 80.8824 81.0954 81.2643 81.2872 81.4809 81.6243 81.6622 81.7944 81.9957 82.2262 82.2739 82.3334 82.4442 82.5803 82.6518 82.9126 83.0635 83.2011 83.4591 83.5319 83.6788 83.7664 83.8782 84.1914 84.3133 84.3899 84.5184 84.6836 84.9416 85.0140 85.0940 85.1532 85.2708 85.5349 85.5978 85.7534 85.8630 85.9249 86.0481 86.1063 86.1622 86.3072 86.4789 86.5651 86.6738 86.8168 86.8752 87.3205 87.4694 87.6397 87.8164 87.8574 88.0406 88.1937 88.3554 88.5537 88.5943 88.6779 88.8378 88.9081 89.0244 89.2438 89.2937 89.3792 89.4802 89.5916 89.6573 89.8324 89.9086 90.1041 90.2696 90.3308 90.4033 90.6792 90.6890 90.7471 91.1109 91.1824 91.3416 91.5156 91.6037 91.6454 91.9369 92.1197 92.2837 92.3943 92.5114 92.5470 92.7455 92.8348 92.8885 92.9249 93.2183 93.2819 93.4802 93.5870 93.6306 93.7030 93.8485 93.9641 94.0569 94.2271 94.4498 94.5230 94.6604 94.7493 94.8003 95.0086 95.1530 95.3761 95.5208 95.5448 95.7469 95.9554 96.1984 96.2563 96.4871 96.5979 96.6408 96.7449 96.9271 97.1128 97.1482 97.2370 97.6074 97.7037 97.8155 97.8609 98.0336 98.2293 98.3459 98.5189 98.5808 98.7083 98.8598 99.0512 99.0650 99.1919 99.2279 99.3632 99.7370 99.9855 100.2450 100.5148 100.5229 100.6622 101.1434 101.1823 101.2658 101.4522 101.7494 101.8111 102.0113 102.2249 102.6410 102.6742 102.9188 102.9850 103.3227 103.4394 103.5998 103.9235 103.9660 104.2929 104.3727 104.5475 104.7911 104.8484 105.1466 105.3128 105.4849 105.5697 105.6845 105.7626 105.8958 106.0338 106.2498 106.3711 106.4788 106.5264 106.6660 106.9155 107.2284 107.2678 107.4334 107.6397 107.7246 107.7831 107.9769 108.1706 108.3752 108.6398 109.0420 109.2339 109.4605 109.6228 109.7067 109.7800 110.1906 110.2336 110.3507 110.4089 110.4801 110.6634 110.7696 110.9497 111.1349 111.2139 111.4934 111.5460 111.7812 111.8938 112.1103 112.3863 112.6111 112.8136 113.0149 113.1308 113.3107 113.4357 113.5524 113.7816 113.9429 114.0586 114.1926 114.4235 114.6246 114.7814 114.9409 115.0672 115.2860 115.6118 115.7635 115.8958 116.0238 116.3108 116.4645 116.5357 116.7561 116.8648 117.0762 117.0875 117.2184 117.4540 117.4955 117.6737 117.7287 117.8158 117.8435 118.0661 118.1349 118.2592 118.5470 118.7145 118.8026 118.9889 119.0526 119.1821 119.2898 119.4642 119.6681 120.2174 120.3486 120.3695 120.3749 120.4311 120.6083 121.0101 121.4066 121.4953 121.7354 121.9466 122.3038 122.3313 122.5918 122.7214 122.9406 123.5765 123.7566 123.9645 124.1721 124.4492 124.7730 124.9158 125.0586 125.5779 125.6992 126.0297 126.0784 126.3632 126.5255 126.5958 126.7797 127.1343 127.3620 127.6152 127.7815 128.3400 128.5319 128.8095 129.1179 129.2982 129.4679 129.5761 129.7379 130.0094 130.1457 130.2541 130.4447 130.7390 131.0286 131.1969 131.2878 131.4699 131.7320 131.7774 132.1115 132.2557 132.5753 132.6612 132.7891 132.9285 133.1304 133.7174 134.0436 134.1609 134.6867 134.8114 135.2184 135.2606 135.3904 135.7966 136.0512 136.5493 136.6486 137.2934 137.7700 138.0554 138.2025 138.4779 138.7536 138.8314 139.0344 139.3805 139.5854 139.7244 140.3657 140.7449 141.2096 141.4125 141.6482 141.9421 142.2207 142.5498 142.9838 143.2595 143.4256 143.9190 144.1346 144.2063 144.3273 144.4692 144.5224 145.1846 145.2546 145.7127 145.9330 145.9808 146.5385 146.8185 146.9416 147.3013 147.6583 147.7450 147.9100 148.1783 148.5419 148.9245 149.2853 149.5914 149.7823 149.9463 149.9817 150.3712 150.5847 150.9422 151.2583 151.5630 151.7135 152.0602 152.5134 152.5958 152.7664 153.4173 154.0100 154.1271 154.5760 154.9840 155.2654 155.9797 156.5163 156.6751 156.7574 156.9468 157.3610 157.8385 158.4847 158.8685 159.4817 159.6265 159.8758 160.1508 160.2069 160.2872 161.2292 161.8341 162.0305 162.1229 162.3762 163.7166 163.8402 164.2203 165.4155 168.1787 168.7486 169.5511 170.3955 172.3517 172.6707 172.9044 173.8610 175.5356 176.5560 178.4818 179.0541 180.2058 182.1978 182.5189 185.7605 186.0815 186.6520 188.7424 189.2589 189.4453 190.0926 191.1695 192.3885 192.6959 193.6458 195.6082 196.0192 196.2790 198.8905 200.0086 201.4979 204.6923 205.5338 206.3693 206.6298 212.7575 221.3336 221.6731 222.3922 222.9174 222.9274 223.5237 225.7234 225.9562 227.8756 229.2654 229.7327 235.8581 241.0514 247.7783 248.9285 294.4900 294.7526 295.6964 297.1069 308.5067 313.3125 609.0950 617.4125 618.5934 625.8230 628.7877 629.6704 631.3241 632.4617 632.9997 634.0964 635.2530 635.3757 635.4102 636.7087 636.8119 639.3306 641.9073 642.7996 647.6788 650.7599 655.5491 657.9338 701.5099 707.6277 876.4467 1200.4055 1212.8043 1214.6948 1563.1460 -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 Cl Cl F O O O N 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 -0.054657 -0.059188 -0.205660 -0.277522 -0.443738 -0.329410 -0.087060 0.106347 0.033911 -0.089289 -0.262949 -0.293913 -0.204332 0.402623 0.040681 0.406258 -0.027290 -0.226737 -0.129182 -0.179258 0.169242 -0.176010 0.220594 0.254127 -0.229573 -0.168950 -0.128261 -0.160304 -0.177519 0.082882 0.097988 0.098583 0.102302 0.091351 0.104963 0.092009 0.103017 0.129704 0.134784 0.150061 0.147113 0.152504 0.147191 0.162219 0.157698 0.165293 0.157354 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 Cl Cl F O O O N 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 17.0547 17.0592 9.2057 8.2775 8.4437 8.3294 7.0871 5.8937 5.9661 6.0893 6.2629 6.2939 6.2043 5.5974 5.9593 5.5937 6.0273 6.2267 6.1292 6.1793 5.8308 6.1760 5.7794 5.7459 6.2296 6.1690 6.1283 6.1603 6.1775 0.9171 0.9020 0.9014 0.8977 0.9086 0.8950 0.9080 0.8970 0.8703 0.8652 0.8499 0.8529 0.8475 0.8528 0.8378 0.8423 0.8347 0.8426 17.0000 17.0000 9.0000 8.0000 8.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 -0.0547 -0.0592 -0.2057 -0.2775 -0.4437 -0.3294 -0.0871 0.1063 0.0339 -0.0893 -0.2629 -0.2939 -0.2043 0.4026 0.0407 0.4063 -0.0273 -0.2267 -0.1292 -0.1793 0.1692 -0.1760 0.2206 0.2541 -0.2296 -0.1690 -0.1283 -0.1603 -0.1775 0.0829 0.0980 0.0986 0.1023 0.0914 0.1050 0.0920 0.1030 0.1297 0.1348 0.1501 0.1471 0.1525 0.1472 0.1622 0.1577 0.1653 0.1574 1.2711 1.2454 1.0884 2.1329 2.0661 2.0821 3.1111 3.7221 3.8726 3.8670 3.9049 3.9107 3.8950 4.1867 4.2140 3.7339 3.6745 4.0678 3.8985 3.9527 3.7340 3.9014 4.0782 3.7366 3.9911 3.8696 3.9011 3.8937 3.9185 1.0453 1.0332 1.0017 1.0011 1.0062 0.9954 1.0133 1.0021 1.0184 1.0193 1.0135 1.0056 0.9979 1.0067 0.9910 0.9886 0.9874 0.9909 1.2711 1.2454 1.0884 2.1329 2.0661 2.0821 3.1111 3.7221 3.8726 3.8670 3.9049 3.9107 3.8950 4.1867 4.2140 3.7339 3.6745 4.0678 3.8985 3.9527 3.7340 3.9014 4.0782 3.7366 3.9911 3.8696 3.9011 3.8937 3.9185 1.0453 1.0332 1.0017 1.0011 1.0062 0.9954 1.0133 1.0021 1.0184 1.0193 1.0135 1.0056 0.9979 1.0067 0.9910 0.9886 0.9874 0.9909 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1885 1.1590 1.0794 1.1521 0.8453 1.8973 0.9604 0.9416 3.0584 0.9012 0.8541 0.9541 0.9484 0.9269 1.0339 0.9889 1.0375 1.0149 0.9874 0.9939 0.9873 0.9928 0.9855 0.9875 1.8547 0.9514 0.9278 0.9177 0.9810 1.3509 1.3699 1.3708 0.9559 1.4250 0.9684 1.3966 1.4191 0.9801 1.3894 1.3589 1.4366 0.9838 1.4014 0.9612 1.4090 0.9791 1.4258 0.9687 0.9834 0 14 1 14 2 22 3 13 3 15 4 13 5 20 5 23 6 17 7 8 7 9 7 10 7 11 8 9 8 12 8 29 9 13 9 30 10 31 10 32 10 33 11 34 11 35 11 36 12 14 12 37 15 16 15 17 15 38 16 18 16 19 18 20 18 39 19 21 19 40 20 22 21 22 21 41 23 24 23 25 24 26 24 42 25 27 25 43 26 28 26 44 27 28 27 45 28 46 -0.025581478 -2149.964313229901 6.13134 -7.06072 -0.92938 -20.03437 19.22086 -0.81351 -7.12248 5.86327 -1.25920 1.76384 4.48334