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:-4.9874,2.4472,-1.0701;-5.2816,4.5254,.909;4.4773,-3.3043,1.5304;1.2262,1.7859,.2186;-.1658,.5303,-1.0029;3.0102,-3.4696,-.6898;3.9858,3.397,-.6643;-1.905,.6364,1.5937;-2.4389,1.6189,.5933;-.9659,1.6462,.958;-1.8636,-.8189,1.1947;-2.1863,.8341,3.0639;-3.2758,2.7565,.994;.0258,1.2453,-.0533;-4.3637,3.175,.3597;2.3184,1.3882,-.6097;2.963,.1423,-.0601;3.2432,2.5224,-.6227;2.7075,-1.0749,-.6761;3.7387,.1943,1.0923;3.2093,-2.2476,-.1322;4.2658,-.9695,1.6242;3.9873,-2.1751,1.0148;1.7565,-3.8091,-1.1336;.6025,-3.4238,-.4632;1.6879,-4.6028,-2.2689;-.6301,-3.8328,-.9515;.4483,-5.0131,-2.738;-.7153,-4.6247,-2.0884;-2.6559,1.1947,-.3806;-.6455,2.4478,1.6138;-2.7729,-1.3129,1.5421;-1.8027,-.9702,.1199;-1.017,-1.3265,1.6613;-2.1096,1.8732,3.3815;-3.1896,.4814,3.3105;-1.4777,.2591,3.6624;-2.9876,3.3098,1.88;1.9931,1.2279,-1.6418;2.1122,-1.1148,-1.5798;3.9455,1.1374,1.5827;4.8787,-.9458,2.5156;.6525,-2.8151,.4309;2.5967,-4.8979,-2.7782;-1.5298,-3.5306,-.4307;.3956,-5.6333,-3.6235;-1.6806,-4.9383,-2.4631; 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 2939.6274049556 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 1 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 7.945e-06 Time for diagonalization 2.485 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 1.091 sec Total time needed 3.655 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:-4.9874,2.4472,-1.0701;-5.2816,4.5254,.909;4.4773,-3.3043,1.5304;1.2262,1.7859,.2186;-.1658,.5303,-1.0029;3.0102,-3.4696,-.6898;3.9858,3.397,-.6643;-1.905,.6364,1.5937;-2.4389,1.6189,.5933;-.9659,1.6462,.958;-1.8636,-.8189,1.1947;-2.1863,.8341,3.0639;-3.2758,2.7565,.994;.0258,1.2453,-.0533;-4.3637,3.175,.3597;2.3184,1.3882,-.6097;2.963,.1423,-.0601;3.2432,2.5224,-.6227;2.7075,-1.0749,-.6761;3.7387,.1943,1.0923;3.2093,-2.2476,-.1322;4.2658,-.9695,1.6242;3.9873,-2.1751,1.0148;1.7565,-3.8091,-1.1336;.6025,-3.4238,-.4632;1.6879,-4.6028,-2.2689;-.6301,-3.8328,-.9515;.4483,-5.0131,-2.738;-.7153,-4.6247,-2.0884;-2.6559,1.1947,-.3806;-.6455,2.4478,1.6138;-2.7729,-1.3129,1.5421;-1.8027,-.9702,.1199;-1.017,-1.3265,1.6613;-2.1096,1.8732,3.3815;-3.1896,.4814,3.3105;-1.4777,.2591,3.6624;-2.9876,3.3098,1.88;1.9931,1.2279,-1.6418;2.1122,-1.1148,-1.5798;3.9455,1.1374,1.5827;4.8787,-.9458,2.5156;.6525,-2.8151,.4309;2.5967,-4.8979,-2.7782;-1.5298,-3.5306,-.4307;.3956,-5.6333,-3.6235;-1.6806,-4.9383,-2.4631; 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:-4.9874,2.4472,-1.0701;-5.2816,4.5254,.909;4.4773,-3.3043,1.5304;1.2262,1.7859,.2186;-.1658,.5303,-1.0029;3.0102,-3.4696,-.6898;3.9858,3.397,-.6643;-1.905,.6364,1.5937;-2.4389,1.6189,.5933;-.9659,1.6462,.958;-1.8636,-.8189,1.1947;-2.1863,.8341,3.0639;-3.2758,2.7565,.994;.0258,1.2453,-.0533;-4.3637,3.175,.3597;2.3184,1.3882,-.6097;2.963,.1423,-.0601;3.2432,2.5224,-.6227;2.7075,-1.0749,-.6761;3.7387,.1943,1.0923;3.2093,-2.2476,-.1322;4.2658,-.9695,1.6242;3.9873,-2.1751,1.0148;1.7565,-3.8091,-1.1336;.6025,-3.4238,-.4632;1.6879,-4.6028,-2.2689;-.6301,-3.8328,-.9515;.4483,-5.0131,-2.738;-.7153,-4.6247,-2.0884;-2.6559,1.1947,-.3806;-.6455,2.4478,1.6138;-2.7729,-1.3129,1.5421;-1.8027,-.9702,.1199;-1.017,-1.3265,1.6613;-2.1096,1.8732,3.3815;-3.1896,.4814,3.3105;-1.4777,.2591,3.6624;-2.9876,3.3098,1.88;1.9931,1.2279,-1.6418;2.1122,-1.1148,-1.5798;3.9455,1.1374,1.5827;4.8787,-.9458,2.5156;.6525,-2.8151,.4309;2.5967,-4.8979,-2.7782;-1.5298,-3.5306,-.4307;.3956,-5.6333,-3.6235;-1.6806,-4.9383,-2.4631; 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 2759 GEPOL Volume 3011.8488 GEPOL Surface-area 1678.1281 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.1s) Overall time for CPCM initialization 1.3s -2149.93861900 2939.62740496 -5089.56602396 -8791.94360965 3702.37758569 -0.03167720 -4293.41005713 2143.47143813 2.00301715 111.999991209550 111.999991209550 223.999982419101 -159.161395683968 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 -2765.6795 -2765.6296 -675.1201 -525.2482 -524.8371 -523.4063 -392.9562 -283.7408 -282.8649 -282.8165 -282.3505 -281.8881 -281.6298 -281.2862 -280.6657 -280.5946 -280.4157 -280.4049 -280.3612 -280.2688 -280.1955 -280.1653 -279.8614 -279.8491 -279.8181 -279.7700 -279.6637 -279.3582 -279.2913 -260.9477 -260.8974 -199.7892 -199.7408 -199.5432 -199.5366 -199.4905 -199.4869 -37.0532 -34.1430 -33.1956 -31.5851 -28.4996 -28.4443 -27.6830 -27.4170 -26.7363 -26.0209 -25.5160 -24.4051 -24.1314 -23.7991 -23.7123 -23.2790 -22.9781 -21.9957 -21.2876 -20.9587 -20.2792 -19.7829 -19.5456 -19.2171 -18.5662 -18.2750 -18.1989 -17.9005 -17.4981 -17.1697 -16.9651 -16.7336 -16.3276 -16.2431 -16.1832 -16.0154 -15.7499 -15.5014 -15.2788 -14.9878 -14.9016 -14.7721 -14.6588 -14.5137 -14.3257 -14.1248 -14.0120 -13.8846 -13.7676 -13.6806 -13.5750 -13.3831 -13.2673 -13.0585 -12.9138 -12.8547 -12.7587 -12.6374 -12.4395 -12.3160 -12.2068 -12.1433 -11.9083 -11.7822 -11.7585 -11.4940 -11.4097 -11.2178 -10.7828 -10.3997 -9.8225 -9.4762 -9.4189 -8.9314 -8.6066 0.9929 1.2331 1.3515 1.6631 1.9256 2.1296 2.4982 2.5704 2.8952 3.0866 3.2974 3.6351 3.9019 3.9981 4.1573 4.3691 4.4158 4.5125 4.6085 4.8580 4.9666 5.0085 5.1444 5.1800 5.3901 5.5849 5.5922 5.8850 5.9506 5.9858 6.0264 6.1015 6.2321 6.4906 6.6025 6.6748 6.7791 6.9199 7.0936 7.1587 7.3160 7.4360 7.5180 7.6384 7.6620 7.7227 7.8963 7.9477 8.0586 8.0666 8.1426 8.2056 8.3514 8.3993 8.4580 8.6653 8.7014 8.8837 9.1431 9.1715 9.2374 9.3640 9.4374 9.5627 9.6793 9.8259 9.8563 9.9564 10.0048 10.1916 10.3982 10.4179 10.4864 10.5642 10.7134 10.8136 10.8803 10.9493 11.0794 11.1219 11.2315 11.3120 11.3711 11.4505 11.5025 11.6500 11.7225 11.7473 11.8635 11.9600 12.0091 12.0653 12.1912 12.3090 12.3344 12.4769 12.5431 12.6266 12.6833 12.8037 12.8597 12.8824 13.0064 13.1965 13.2638 13.3219 13.4521 13.6598 13.6866 13.7811 13.8270 13.9375 14.0436 14.1434 14.2727 14.3430 14.4293 14.5852 14.6119 14.7426 14.8052 14.9194 14.9838 15.0551 15.1181 15.2381 15.3694 15.5010 15.5354 15.6351 15.7015 15.7664 15.8878 15.9286 16.0273 16.1259 16.1608 16.3296 16.5095 16.6932 16.7368 16.7592 16.9210 16.9413 17.0719 17.2574 17.4086 17.4902 17.5439 17.8063 17.8308 18.0256 18.2095 18.3264 18.4841 18.6189 18.6298 18.8512 19.0457 19.1511 19.2700 19.3940 19.5298 19.5628 19.7131 19.8774 19.9464 20.1640 20.2053 20.3088 20.4425 20.4929 20.5570 20.6872 20.8299 21.0925 21.1746 21.3182 21.3685 21.4211 21.5608 21.6202 21.7297 21.8528 21.8783 21.9376 22.1319 22.4400 22.6453 22.7369 22.7933 23.0508 23.0787 23.4180 23.4887 23.5351 23.6312 23.7867 23.8821 23.9235 24.1088 24.3440 24.4374 24.6054 24.6883 24.7850 24.8435 25.2092 25.3141 25.4069 25.7517 25.8069 25.9136 26.0357 26.3547 26.3860 26.5892 26.7240 26.9150 27.1244 27.1979 27.3525 27.4307 27.5476 27.7015 27.8196 27.9722 28.0918 28.1910 28.3355 28.4809 28.7545 28.8634 28.9586 29.1461 29.3200 29.3761 29.5448 29.5808 29.6815 29.8780 29.9743 30.1109 30.3376 30.4240 30.6412 30.6486 30.8954 31.0705 31.1915 31.2353 31.3681 31.4836 31.6248 31.8273 31.8900 32.0724 32.3086 32.4635 32.5014 32.6464 32.7617 32.9261 33.0194 33.2892 33.2962 33.5819 33.7224 33.8101 33.9299 34.0092 34.2599 34.3893 34.4733 34.5900 34.7788 34.9193 35.0417 35.1735 35.3107 35.5146 35.5965 35.7620 35.8560 36.1332 36.2050 36.3279 36.4509 36.5073 36.6411 36.7636 36.8064 37.0555 37.0658 37.3188 37.4221 37.5178 37.7185 37.9503 38.1404 38.2956 38.3436 38.4310 38.5392 38.6191 38.8004 38.8235 38.9763 39.0693 39.2520 39.4157 39.5181 39.7094 39.8907 39.9387 40.1500 40.2870 40.5143 40.5702 40.8297 40.8989 41.0453 41.1607 41.3549 41.4677 41.6668 41.8227 41.8494 41.9467 42.1115 42.2842 42.3588 42.4937 42.6184 42.7031 42.8017 43.0901 43.3378 43.3842 43.5254 43.8097 44.0020 44.1104 44.1717 44.3567 44.4113 44.5076 44.5960 44.7076 44.8206 44.8828 45.1534 45.3494 45.5215 45.6530 45.8805 46.0213 46.1465 46.2112 46.3055 46.5248 46.5675 46.7285 46.8828 46.9766 47.2285 47.3908 47.6421 47.7998 47.8448 47.9836 48.2925 48.3767 48.7089 48.8980 49.0234 49.2180 49.3448 49.4995 49.5597 49.9510 50.0028 50.2462 50.3423 50.5415 50.6856 50.7866 50.8574 51.0022 51.1704 51.2790 51.4719 51.6245 51.7399 51.9549 52.0656 52.1067 52.3233 52.3998 52.4428 52.5555 52.7009 52.8578 53.0568 53.4292 53.5129 54.0014 54.0534 54.2630 54.3160 54.7933 55.1415 55.1903 55.4959 55.9246 56.1170 56.2107 56.3101 56.4386 56.5602 56.8364 57.1023 57.2200 57.3688 57.4658 57.6131 57.9366 58.0327 58.1588 58.2909 58.4650 58.5119 58.7751 58.9157 59.0001 59.2718 59.3706 59.4923 59.6363 59.9055 60.0084 60.1484 60.2395 60.4735 60.7722 61.1133 61.3695 61.5474 61.6608 61.7230 61.9934 62.3139 62.4540 62.6517 62.9171 62.9933 63.0711 63.2710 63.3857 63.5969 63.9154 63.9917 64.1231 64.5119 64.6331 64.7480 64.8309 65.0279 65.1802 65.4050 65.4564 65.5134 65.9355 65.9558 66.1874 66.3283 66.6711 67.1658 67.2552 67.4149 67.5599 67.6069 67.7300 67.8043 68.0760 68.6265 68.8494 68.8975 69.0351 69.1633 69.3180 69.8134 70.3337 70.6800 70.7971 71.1901 71.3867 71.6370 71.9196 72.2214 72.3850 72.6448 72.9297 73.1029 73.3202 73.5334 73.8047 73.9790 74.0952 74.4573 74.6439 74.7633 74.8635 74.9889 75.2471 75.4718 75.5944 75.9851 76.1745 76.3697 76.4913 76.8105 76.9955 77.0545 77.2491 77.3188 77.6207 77.8303 77.9252 78.0637 78.0971 78.3485 78.4539 78.5984 78.6879 78.8284 78.9614 79.1062 79.2132 79.4128 79.5420 79.6028 79.7205 79.8652 79.9639 80.0276 80.0859 80.2367 80.3476 80.5966 80.6305 80.8802 81.1742 81.2497 81.3483 81.5017 81.6210 81.6962 81.8331 82.0344 82.1690 82.2294 82.3365 82.4428 82.5902 82.6563 82.9486 83.0587 83.2076 83.4699 83.5173 83.6671 83.8008 83.8258 84.1829 84.2673 84.4171 84.4458 84.6991 84.9477 84.9655 85.0496 85.1534 85.2899 85.4827 85.5947 85.7513 85.8313 85.9384 86.0399 86.1322 86.2196 86.3404 86.4972 86.5860 86.7060 86.8742 86.9062 87.3331 87.4685 87.6481 87.7913 87.9259 88.0214 88.2134 88.3779 88.5349 88.5762 88.6718 88.8293 88.9159 88.9791 89.2556 89.2844 89.3889 89.4648 89.5879 89.6121 89.8242 89.8826 90.0580 90.2406 90.3307 90.4628 90.6509 90.7263 90.7866 91.1362 91.2318 91.3559 91.5219 91.5975 91.6957 91.9538 92.1621 92.2998 92.3319 92.5107 92.5508 92.6974 92.8326 92.9143 92.9495 93.2233 93.3260 93.5006 93.6169 93.6676 93.7409 93.8892 94.0013 94.0599 94.2307 94.4282 94.5328 94.6761 94.7484 94.8445 94.9770 95.1697 95.3823 95.5420 95.6023 95.7888 95.9711 96.1208 96.2097 96.4470 96.5726 96.6931 96.7404 97.0113 97.1257 97.1365 97.1998 97.5623 97.6459 97.7735 97.9121 98.1048 98.2862 98.3409 98.4961 98.5792 98.7437 98.8573 98.9977 99.0979 99.1493 99.2708 99.3418 99.7402 99.9767 100.2445 100.4939 100.5511 100.7184 101.1274 101.1811 101.3222 101.4830 101.7949 101.8372 101.9655 102.2007 102.6237 102.7068 102.9254 102.9917 103.2996 103.4840 103.6376 103.9169 104.0602 104.1928 104.4038 104.5916 104.7750 104.8844 105.1288 105.3285 105.4350 105.5892 105.6894 105.7961 105.9067 106.0092 106.1761 106.3649 106.5317 106.5796 106.6600 106.9715 107.1544 107.2908 107.4484 107.6706 107.7662 107.8250 107.9756 108.1700 108.3654 108.6568 108.9969 109.2297 109.3797 109.5649 109.7202 109.8166 110.2353 110.2627 110.3790 110.4790 110.4894 110.7192 110.8824 110.9646 111.1353 111.2687 111.5036 111.5806 111.7743 111.9172 112.0684 112.3449 112.6689 112.7154 112.9631 113.1610 113.3170 113.4034 113.5349 113.8099 114.0133 114.1395 114.1921 114.3798 114.6232 114.8278 114.9434 115.0758 115.3391 115.6336 115.7242 115.8805 116.0176 116.2883 116.4495 116.5229 116.7761 116.9087 117.0194 117.0713 117.2231 117.4149 117.5173 117.6693 117.7588 117.8222 117.8356 118.1076 118.2003 118.2649 118.5340 118.7421 118.7982 118.9549 119.0612 119.1968 119.3288 119.3950 119.6445 120.2175 120.2735 120.3627 120.3952 120.3994 120.6317 121.0922 121.3573 121.4722 121.7418 122.0751 122.3290 122.3531 122.6389 122.7166 122.9701 123.6888 123.7961 123.9899 124.2403 124.4171 124.8361 124.9268 125.1643 125.5824 125.7316 126.0844 126.1596 126.4007 126.5484 126.6546 126.8517 127.1044 127.3796 127.5778 127.7883 128.3340 128.5900 128.7595 129.1520 129.3949 129.4597 129.5494 129.6439 130.0261 130.1098 130.3251 130.4099 130.8339 131.0729 131.1785 131.3090 131.5363 131.7642 131.8707 132.1266 132.2819 132.5485 132.5880 132.8121 132.8964 133.2753 133.7177 134.0520 134.1515 134.7410 134.8334 135.2461 135.2747 135.4467 135.7528 136.1063 136.5531 136.6688 137.2991 137.7735 138.0455 138.2732 138.4560 138.7812 138.8206 139.1664 139.3766 139.6078 139.7698 140.3956 140.7687 141.2739 141.4298 141.6901 141.9871 142.2257 142.5423 142.8919 143.2609 143.4964 143.9883 144.1109 144.1630 144.3700 144.4413 144.6132 145.1922 145.3164 145.7170 145.9365 146.0199 146.5656 146.7789 146.9580 147.3340 147.6431 147.7114 147.9030 148.1365 148.5731 148.9060 149.1949 149.6068 149.8362 150.0068 150.0298 150.4676 150.5677 150.9528 151.2431 151.5815 151.7550 152.0540 152.5152 152.6489 152.7734 153.4451 153.9060 154.0443 154.6705 155.0094 155.3264 155.9033 156.5250 156.7070 156.8013 157.0217 157.3895 157.8388 158.3586 158.8843 159.4066 159.6054 159.9321 160.1360 160.2069 160.2593 161.1948 161.8121 161.9710 162.1166 162.3604 163.4144 163.8252 164.3460 165.4376 168.1662 168.6947 169.5839 170.4452 172.3455 172.6061 172.7745 173.8408 175.5975 176.4608 178.4587 179.1450 180.1931 182.2382 182.6027 185.7431 186.0482 186.6544 188.7666 189.2624 189.3757 190.1041 191.1241 192.4674 192.6910 193.6650 195.3781 195.9738 196.2871 198.8253 200.0434 201.6796 204.6352 205.6822 206.3982 206.6558 212.7940 221.3357 221.6797 222.3940 222.9183 222.9277 223.5248 225.7239 225.9535 227.8711 229.2691 229.7322 235.8510 241.0498 247.7871 248.9277 294.4897 294.7520 295.6945 297.1018 308.5081 313.3138 609.0635 617.4462 618.3320 625.8716 628.8211 629.7311 631.3242 632.4439 633.0497 634.1439 635.2692 635.4261 635.5052 636.7474 636.8439 639.3264 641.8198 642.5701 647.6207 650.7877 655.5751 657.9452 701.5558 707.6223 876.4807 1200.4039 1212.7920 1214.6750 1563.0783 -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 -0.054401 -0.058994 -0.205745 -0.277587 -0.446120 -0.327402 -0.086737 0.108156 0.034782 -0.094835 -0.299164 -0.262072 -0.204752 0.409485 0.040410 0.402659 -0.024941 -0.224465 -0.141786 -0.182890 0.186337 -0.171214 0.211320 0.273463 -0.186957 -0.239809 -0.150943 -0.122618 -0.184149 0.084305 0.097784 0.103481 0.093207 0.105440 0.091268 0.102313 0.098720 0.129964 0.134762 0.150019 0.145421 0.152263 0.162713 0.147028 0.167275 0.157776 0.157228 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 17.0544 17.0590 9.2057 8.2776 8.4461 8.3274 7.0867 5.8918 5.9652 6.0948 6.2992 6.2621 6.2048 5.5905 5.9596 5.5973 6.0249 6.2245 6.1418 6.1829 5.8137 6.1712 5.7887 5.7265 6.1870 6.2398 6.1509 6.1226 6.1841 0.9157 0.9022 0.8965 0.9068 0.8946 0.9087 0.8977 0.9013 0.8700 0.8652 0.8500 0.8546 0.8477 0.8373 0.8530 0.8327 0.8422 0.8428 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 -0.0544 -0.0590 -0.2057 -0.2776 -0.4461 -0.3274 -0.0867 0.1082 0.0348 -0.0948 -0.2992 -0.2621 -0.2048 0.4095 0.0404 0.4027 -0.0249 -0.2245 -0.1418 -0.1829 0.1863 -0.1712 0.2113 0.2735 -0.1870 -0.2398 -0.1509 -0.1226 -0.1841 0.0843 0.0978 0.1035 0.0932 0.1054 0.0913 0.1023 0.0987 0.1300 0.1348 0.1500 0.1454 0.1523 0.1627 0.1470 0.1673 0.1578 0.1572 1.2713 1.2457 1.0882 2.1325 2.0625 2.0868 3.1105 3.7155 3.8683 3.8772 3.9102 3.9062 3.8952 4.1746 4.2143 3.7362 3.6903 4.0661 3.8964 3.9582 3.7263 3.8991 4.0822 3.7280 3.8929 3.9984 3.8862 3.8948 3.9299 1.0446 1.0333 1.0019 1.0128 0.9945 1.0062 1.0011 1.0016 1.0181 1.0201 1.0139 1.0062 0.9981 0.9892 1.0069 0.9858 0.9885 0.9914 1.2713 1.2457 1.0882 2.1325 2.0625 2.0868 3.1105 3.7155 3.8683 3.8772 3.9102 3.9062 3.8952 4.1746 4.2143 3.7362 3.6903 4.0661 3.8964 3.9582 3.7263 3.8991 4.0822 3.7280 3.8929 3.9984 3.8862 3.8948 3.9299 1.0446 1.0333 1.0019 1.0128 0.9945 1.0062 1.0011 1.0016 1.0181 1.0201 1.0139 1.0062 0.9981 0.9892 1.0069 0.9858 0.9885 0.9914 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1887 1.1593 1.0783 1.1523 0.8414 1.8901 0.9717 0.9389 3.0578 0.8975 0.8589 0.9453 0.9560 0.9231 1.0333 0.9897 1.0377 1.0165 0.9871 0.9868 0.9932 0.9868 0.9941 0.9874 1.8546 0.9515 0.9331 0.9153 0.9809 1.3508 1.3764 1.3683 0.9545 1.4213 0.9672 1.3894 1.4256 0.9803 1.3644 1.3886 1.4038 0.9594 1.4346 0.9839 1.4267 0.9656 1.4104 0.9789 0.9836 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 -0.025516521 -2149.964135522454 5.11552 -6.07258 -0.95707 -20.90338 20.01456 -0.88882 6.79686 -5.57793 1.21893 1.78655 4.54105