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:-4.1979,4.3308,-1.2921;-4.6821,5.5726,1.2658;3.9085,-4.0159,.6442;1.0744,1.5459,.6934;-.1718,1.1742,-1.1302;2.7366,-3.2623,-1.7103;4.0218,3.022,.8227;-2.4586,.8703,.9964;-2.5299,2.2291,.3654;-1.2161,1.7399,.951;-2.5942,-.3318,.0943;-3.0517,.6439,2.3661;-3.203,3.3566,1.0202;-.0961,1.4529,.0389;-3.9219,4.2877,.4062;2.268,1.2906,-.0442;2.7284,-.1306,.1508;3.2478,2.2584,.453;2.5055,-1.0592,-.8593;3.3204,-.5296,1.3431;2.8986,-2.3757,-.6918;3.7188,-1.845,1.5177;3.5137,-2.7489,.4975;1.9619,-4.3767,-1.5146;2.1744,-5.4325,-2.3914;.9905,-4.4601,-.5259;1.4146,-6.5852,-2.2656;.2433,-5.6252,-.4092;.4506,-6.6922,-1.2704;-2.5709,2.2213,-.7179;-.925,2.1706,1.9022;-2.0032,-1.1691,.4709;-3.6382,-.6498,.0729;-2.2938,-.14,-.9329;-2.8594,1.4608,3.0606;-4.1329,.51,2.2961;-2.6342,-.2618,2.8095;-3.1061,3.45,2.0952;2.1244,1.4975,-1.1085;2.0359,-.7651,-1.7903;3.4922,.1801,2.143;4.1977,-2.1654,2.4337;2.9308,-5.3508,-3.1626;.8016,-3.6353,.1501;1.5847,-7.4075,-2.9487;-.509,-5.6912,.3668;-.1339,-7.5972,-1.1695; 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 2864.1305606855 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 7.679e-06 Time for diagonalization 0.631 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.592 sec Total time needed 1.236 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:-4.1979,4.3308,-1.2921;-4.6821,5.5726,1.2658;3.9085,-4.0159,.6442;1.0744,1.5459,.6934;-.1718,1.1742,-1.1302;2.7366,-3.2623,-1.7103;4.0218,3.022,.8227;-2.4586,.8703,.9964;-2.5299,2.2291,.3654;-1.2161,1.7399,.951;-2.5942,-.3318,.0943;-3.0517,.6439,2.3661;-3.203,3.3566,1.0202;-.0961,1.4529,.039;-3.9219,4.2877,.4062;2.268,1.2906,-.0442;2.7284,-.1306,.1508;3.2478,2.2584,.453;2.5055,-1.0592,-.8593;3.3204,-.5296,1.3431;2.8986,-2.3757,-.6918;3.7188,-1.845,1.5177;3.5137,-2.7489,.4975;1.9619,-4.3767,-1.5146;2.1744,-5.4325,-2.3914;.9905,-4.4601,-.5259;1.4146,-6.5852,-2.2656;.2433,-5.6252,-.4092;.4506,-6.6922,-1.2704;-2.5709,2.2213,-.7179;-.925,2.1706,1.9022;-2.0032,-1.1691,.4709;-3.6382,-.6498,.0729;-2.2938,-.14,-.9329;-2.8594,1.4608,3.0606;-4.1329,.51,2.2961;-2.6342,-.2618,2.8095;-3.1061,3.45,2.0952;2.1244,1.4975,-1.1085;2.0359,-.7651,-1.7903;3.4922,.1801,2.143;4.1977,-2.1654,2.4337;2.9308,-5.3508,-3.1626;.8016,-3.6353,.1501;1.5847,-7.4075,-2.9487;-.509,-5.6912,.3668;-.1339,-7.5972,-1.1695; 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:-4.1979,4.3308,-1.2921;-4.6821,5.5726,1.2658;3.9085,-4.0159,.6442;1.0744,1.5459,.6934;-.1718,1.1742,-1.1302;2.7366,-3.2623,-1.7103;4.0218,3.022,.8227;-2.4586,.8703,.9964;-2.5299,2.2291,.3654;-1.2161,1.7399,.951;-2.5942,-.3318,.0943;-3.0517,.6439,2.3661;-3.203,3.3566,1.0202;-.0961,1.4529,.0389;-3.9219,4.2877,.4062;2.268,1.2906,-.0442;2.7284,-.1306,.1508;3.2478,2.2584,.453;2.5055,-1.0592,-.8593;3.3204,-.5296,1.3431;2.8986,-2.3757,-.6918;3.7188,-1.845,1.5177;3.5137,-2.7489,.4975;1.9619,-4.3767,-1.5146;2.1744,-5.4325,-2.3914;.9905,-4.4601,-.5259;1.4146,-6.5852,-2.2656;.2433,-5.6252,-.4092;.4506,-6.6922,-1.2704;-2.5709,2.2213,-.7179;-.925,2.1706,1.9022;-2.0032,-1.1691,.4709;-3.6382,-.6498,.0729;-2.2938,-.14,-.9329;-2.8594,1.4608,3.0606;-4.1329,.51,2.2961;-2.6342,-.2618,2.8095;-3.1061,3.45,2.0952;2.1244,1.4975,-1.1085;2.0359,-.7651,-1.7903;3.4922,.1801,2.143;4.1977,-2.1654,2.4337;2.9308,-5.3508,-3.1626;.8016,-3.6353,.1501;1.5847,-7.4075,-2.9487;-.509,-5.6912,.3668;-.1339,-7.5972,-1.1695; 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 2733 GEPOL Volume 3030.3501 GEPOL Surface-area 1680.9788 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.0s -2149.93929424 2864.13056069 -5014.06985492 -8641.10928594 3627.03943101 -0.03135208 -4293.39231574 2143.45302150 2.00302609 111.999991916753 111.999991916753 223.999983833506 -159.156461125968 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 -2765.6721 -2765.6251 -675.2124 -525.2444 -524.8454 -523.4064 -392.9495 -283.7485 -282.8621 -282.8097 -282.4346 -281.8713 -281.6525 -281.2815 -280.6530 -280.6207 -280.4119 -280.3990 -280.3529 -280.2969 -280.2622 -280.2087 -279.8528 -279.8384 -279.7899 -279.7376 -279.6222 -279.3518 -279.2808 -260.9405 -260.8930 -199.7819 -199.7364 -199.5359 -199.5296 -199.4862 -199.4825 -37.1404 -34.1320 -33.1922 -31.5870 -28.4901 -28.4405 -27.6783 -27.4501 -26.7080 -26.0159 -25.5291 -24.4773 -24.1291 -23.7486 -23.6675 -23.2497 -23.0090 -21.9848 -21.2884 -20.8803 -20.4284 -19.7755 -19.5601 -19.2580 -18.5792 -18.3090 -18.1927 -17.8791 -17.6241 -17.0995 -16.8874 -16.7645 -16.3646 -16.2020 -16.1751 -16.0015 -15.7962 -15.5115 -15.3121 -14.9590 -14.8029 -14.7406 -14.6724 -14.4609 -14.3211 -14.1417 -14.1345 -13.9044 -13.7922 -13.7117 -13.5359 -13.3811 -13.2675 -13.0673 -12.9679 -12.8596 -12.7710 -12.5511 -12.4398 -12.2252 -12.1844 -12.1148 -11.9070 -11.8496 -11.7547 -11.4845 -11.4335 -11.2135 -10.7882 -10.3834 -9.7562 -9.5243 -9.4342 -8.9212 -8.6685 0.9821 1.2194 1.3260 1.6262 1.9803 2.1740 2.5157 2.5620 2.9139 3.0344 3.2746 3.6373 3.9342 3.9687 4.2317 4.2881 4.5225 4.5687 4.7405 4.8453 4.9379 4.9896 5.1385 5.1890 5.3035 5.4498 5.6682 5.7088 5.8498 5.9283 6.0665 6.0803 6.2275 6.3268 6.3800 6.5423 6.6739 6.7966 6.9115 7.1217 7.1816 7.3385 7.4767 7.5650 7.6306 7.7279 7.8782 7.9135 7.9822 8.0150 8.0500 8.1697 8.1822 8.3449 8.4240 8.4405 8.5452 8.7325 8.8875 8.8935 9.0830 9.2089 9.2676 9.3649 9.5835 9.6414 9.7002 9.8871 9.9883 10.1151 10.1719 10.2628 10.3633 10.5017 10.5779 10.6257 10.7749 10.8649 10.9350 11.0713 11.2010 11.2604 11.3062 11.3709 11.4637 11.5165 11.6009 11.7309 11.7872 11.8806 12.0002 12.0192 12.0873 12.2053 12.2712 12.2956 12.4435 12.5855 12.7427 12.7688 12.7824 12.8806 13.0073 13.0757 13.1757 13.2292 13.3282 13.4499 13.4954 13.6913 13.7257 13.7816 13.8496 13.9156 14.0360 14.2470 14.3180 14.3581 14.5042 14.5812 14.6054 14.8066 14.9051 14.9393 14.9989 15.1226 15.1410 15.3139 15.3341 15.4744 15.6103 15.6958 15.7520 15.7835 15.8737 16.0015 16.0953 16.1222 16.1680 16.3972 16.4546 16.5401 16.7361 16.7564 16.8185 16.9749 17.0612 17.2547 17.2878 17.4300 17.6360 17.6930 17.7438 17.9020 18.1824 18.1848 18.4444 18.4966 18.6404 18.6879 18.9279 19.1393 19.2840 19.3881 19.4982 19.6778 19.7421 19.9042 20.0064 20.2522 20.3307 20.3914 20.4475 20.5484 20.7647 20.7942 20.9750 21.0073 21.2716 21.3592 21.3983 21.4849 21.6905 21.6977 21.8298 21.9292 21.9967 22.2945 22.4256 22.4694 22.6965 22.7353 22.9304 23.2175 23.3793 23.4917 23.5681 23.6181 23.7983 23.8095 23.9016 24.0417 24.2372 24.4191 24.5037 24.7030 24.8131 24.8979 24.9937 25.3614 25.4078 25.6286 25.8011 26.0139 26.1848 26.3839 26.4675 26.7773 26.8170 26.9257 27.0751 27.1348 27.2342 27.4832 27.5738 27.7595 27.9412 28.0245 28.1689 28.2584 28.3703 28.5997 28.7373 28.8303 29.0150 29.0492 29.1397 29.3055 29.4888 29.5978 29.7735 29.9017 29.9456 30.2718 30.3581 30.4396 30.5574 30.6617 30.8515 30.9017 31.0221 31.1620 31.3834 31.4635 31.6102 31.7612 31.8979 32.0629 32.2297 32.2986 32.4660 32.6478 32.8063 32.8353 33.0808 33.1271 33.2683 33.3556 33.4431 33.8128 33.9154 34.1528 34.2898 34.3697 34.4324 34.6032 34.8566 34.9284 35.0632 35.1494 35.3829 35.5643 35.6396 35.7951 35.9982 36.1304 36.2573 36.3389 36.3766 36.4171 36.5387 36.6172 36.8372 36.8850 37.0777 37.2082 37.4572 37.6227 37.7652 37.9822 38.1053 38.1482 38.1778 38.3381 38.5609 38.5913 38.6945 38.7288 38.9617 39.0807 39.0897 39.3334 39.4209 39.5886 39.8215 39.8686 40.1201 40.3493 40.5015 40.5417 40.7832 40.8199 40.9322 41.1969 41.3922 41.5036 41.7058 41.8039 41.9098 41.9877 42.1083 42.1865 42.3753 42.4273 42.6924 42.7550 42.9658 43.1042 43.1637 43.4428 43.5525 43.7307 43.7770 44.0420 44.1078 44.2006 44.3727 44.4879 44.5179 44.6783 44.8494 44.9674 45.0361 45.1670 45.4158 45.5369 45.6935 45.8589 45.9881 46.0500 46.2348 46.3465 46.3887 46.5366 46.9243 46.9928 47.1723 47.2624 47.5018 47.8003 47.9823 48.0619 48.2274 48.4310 48.5745 48.6718 48.8194 49.1053 49.1859 49.5069 49.6366 49.7401 49.8781 50.1565 50.2720 50.5810 50.6674 50.7695 50.9179 51.0978 51.3137 51.4425 51.5798 51.6222 51.8025 51.8927 52.1848 52.2857 52.3820 52.4076 52.4946 52.7000 52.8466 53.1137 53.2846 53.3659 53.8883 54.0123 54.2197 54.3677 54.5839 54.9461 55.0347 55.3138 55.5237 55.7033 56.0071 56.0676 56.1846 56.3402 56.5379 56.8902 57.0786 57.1816 57.3287 57.4682 57.8511 58.0014 58.1626 58.2004 58.3207 58.6273 58.7029 58.8529 58.9557 59.2691 59.2949 59.3697 59.5667 59.6769 59.9865 60.1047 60.1340 60.4780 60.7594 61.1100 61.1935 61.4817 61.5604 61.6913 61.7848 62.1996 62.3281 62.4713 62.7063 62.9757 63.1892 63.2215 63.3411 63.4236 63.8076 63.9483 64.0879 64.2568 64.5018 64.6872 64.7615 64.9081 65.0362 65.1687 65.2620 65.4786 65.7077 65.9382 66.1948 66.3297 66.4331 66.9940 67.2073 67.2554 67.3556 67.4465 67.6843 67.8399 68.1608 68.4493 68.7129 68.7853 68.9659 69.3370 69.4477 69.5587 70.2509 70.5231 70.6493 70.9796 71.2328 71.4899 71.9006 71.9360 72.2112 72.4921 72.7058 72.9185 73.1618 73.3017 73.5570 73.8658 74.0659 74.3552 74.6262 74.6702 74.7889 74.8181 75.0827 75.1313 75.3951 75.9366 76.0456 76.2390 76.3882 76.5718 76.8814 77.0232 77.1378 77.3953 77.6424 77.7528 77.8168 77.8546 78.0889 78.1151 78.2325 78.4740 78.5839 78.6513 78.9931 79.0696 79.2246 79.3795 79.4356 79.4942 79.5682 79.6457 79.7453 79.7777 79.8756 80.1209 80.1741 80.3250 80.4742 80.6573 80.7728 81.0901 81.2630 81.4322 81.5498 81.6679 81.7568 81.8897 82.0671 82.1542 82.2672 82.4310 82.4931 82.7980 82.8925 83.1968 83.2457 83.3615 83.5617 83.6681 83.7413 83.8800 83.9552 84.1066 84.3753 84.4738 84.6969 84.8967 84.9023 85.0270 85.0689 85.3937 85.4119 85.4640 85.5851 85.6590 85.8004 85.9449 85.9775 86.1079 86.2067 86.3255 86.3882 86.5652 86.6375 86.8252 87.1940 87.3577 87.4833 87.8125 87.9278 88.1049 88.1547 88.3373 88.4145 88.4304 88.5925 88.6787 88.7688 88.9585 89.0357 89.2134 89.2948 89.3173 89.5852 89.6465 89.7803 89.8419 90.0694 90.1715 90.2833 90.4034 90.5346 90.6049 90.8346 90.9452 91.1072 91.1746 91.4302 91.4384 91.5878 91.6479 92.0264 92.1741 92.3134 92.4471 92.4834 92.7107 92.7288 92.7570 92.9495 93.0605 93.2047 93.2593 93.3586 93.4854 93.7245 93.7908 93.8304 93.9637 94.2054 94.2994 94.4271 94.4942 94.6949 94.7625 94.9252 95.0846 95.1019 95.3994 95.4870 95.5634 95.7283 95.7402 96.0756 96.0859 96.5192 96.7013 96.8803 96.9243 97.0199 97.1334 97.2959 97.3233 97.4878 97.5787 97.8436 97.9247 97.9925 98.1267 98.2897 98.5706 98.6529 98.7303 98.8256 98.9920 99.1018 99.1767 99.3513 99.6705 99.8038 100.1316 100.3152 100.3907 100.5938 100.8474 101.0324 101.2520 101.4148 101.4946 101.8318 101.8474 102.1855 102.5012 102.7139 102.9208 103.0257 103.1916 103.4138 103.4840 103.8289 103.8867 104.1043 104.2311 104.5365 104.6722 104.8576 104.9139 105.2413 105.3940 105.4863 105.5526 105.6554 105.6956 105.8148 105.9357 106.0502 106.4333 106.4852 106.7571 106.8238 107.0526 107.2154 107.3112 107.4876 107.6374 107.6974 108.0542 108.1030 108.2510 108.5889 108.7749 109.0925 109.3575 109.6001 109.6695 109.7500 109.8566 110.0466 110.2399 110.3005 110.3181 110.6320 110.7375 110.8486 111.0147 111.2183 111.3339 111.5578 111.6754 111.7141 111.9085 112.1665 112.3835 112.5857 113.0035 113.0717 113.1952 113.4113 113.5054 113.5801 113.7850 113.9615 114.0621 114.3249 114.5102 114.6119 114.8983 115.0105 115.1728 115.4659 115.6273 115.7830 116.1149 116.1552 116.3163 116.3641 116.4766 116.6591 116.8632 116.9282 117.1250 117.3035 117.4037 117.4325 117.6799 117.7669 117.7913 117.9445 118.0618 118.1511 118.2905 118.4180 118.4936 118.6330 118.7891 118.9109 119.0599 119.4575 119.8068 119.9609 120.0758 120.2610 120.3474 120.5245 120.6761 120.9203 121.2271 121.5028 121.5978 121.8084 122.0517 122.1162 122.2073 122.3538 122.7196 123.3487 123.3848 123.7291 123.9296 124.2244 124.3670 124.4870 125.0225 125.3408 125.8901 125.9406 126.0028 126.2825 126.4606 126.6146 126.6732 126.9848 127.2875 127.5734 127.7935 128.0367 128.3765 128.8396 129.0785 129.1965 129.3224 129.6129 129.7364 129.7945 129.9131 129.9577 130.3111 130.6213 130.9067 130.9867 131.1625 131.3055 131.4352 131.6966 132.1120 132.1292 132.3136 132.5201 132.7154 133.0316 133.0914 133.4242 133.7518 134.1699 134.5765 134.7334 134.9608 135.1960 135.3520 135.4771 135.7679 136.3707 136.6661 137.1109 137.9931 138.1874 138.2851 138.3837 138.5058 138.6265 139.1046 139.2393 139.5341 139.9198 140.3435 140.6821 141.1312 141.1949 141.6504 141.8641 142.2670 142.5545 142.8499 143.1655 143.4063 143.8356 144.0302 144.0508 144.2814 144.3268 144.5689 144.7452 145.1635 145.6059 145.7033 145.9406 146.4904 146.5812 146.7572 147.2548 147.3530 147.5930 147.7968 148.1396 148.3500 149.1442 149.2240 149.3829 149.6898 149.7862 150.0563 150.2996 150.5586 150.7731 151.0681 151.6339 151.8194 152.2431 152.4814 152.7837 152.8354 153.3975 153.5542 154.0122 154.3214 154.9734 155.0539 155.6515 156.4808 156.5589 156.9396 157.0016 157.3445 157.8214 158.2376 158.6148 159.2704 159.3727 159.5828 159.8542 160.0335 160.1448 161.2215 161.4565 161.9669 162.1697 162.8461 163.7578 163.8919 164.8304 165.3699 167.9572 168.4156 169.5176 170.5256 171.0560 172.4683 172.4875 174.6456 175.9057 176.8022 178.1895 179.0200 180.2046 182.2357 182.9241 185.3296 185.6232 186.5639 188.6505 188.9795 189.3479 189.9376 191.2742 192.5264 192.7124 193.9054 195.0157 195.9131 196.1866 198.5239 199.6985 201.0598 204.4383 206.1427 206.4174 206.6521 212.5521 221.3290 221.6667 222.3895 222.9220 222.9302 223.5236 225.7188 225.9705 227.8943 229.2724 230.1680 235.9053 241.1776 247.9410 248.9876 294.4904 294.7597 295.7054 297.1110 308.5231 313.3144 609.1306 617.1721 618.7817 625.6885 628.8885 629.5170 631.1590 632.5973 633.1697 634.1224 635.1578 635.4009 635.4123 636.6578 636.7071 639.4660 641.6757 642.3758 647.3025 650.4448 655.5194 657.8538 701.5488 707.6939 876.4988 1200.1810 1212.9221 1214.7743 1564.4760 -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 -0.054371 -0.059276 -0.205169 -0.277175 -0.448871 -0.322113 -0.088496 0.089525 0.033420 -0.092910 -0.270329 -0.265917 -0.201709 0.413887 0.041591 0.398679 -0.032971 -0.218858 -0.146179 -0.160280 0.138522 -0.175570 0.271520 0.283013 -0.245113 -0.175225 -0.120563 -0.161537 -0.183967 0.081162 0.097844 0.100606 0.098928 0.095966 0.091500 0.102332 0.098084 0.128549 0.132813 0.138729 0.146880 0.153400 0.145045 0.152131 0.156754 0.158231 0.157487 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 17.0593 9.2052 8.2772 8.4489 8.3221 7.0885 5.9105 5.9666 6.0929 6.2703 6.2659 6.2017 5.5861 5.9584 5.6013 6.0330 6.2189 6.1462 6.1603 5.8615 6.1756 5.7285 5.7170 6.2451 6.1752 6.1206 6.1615 6.1840 0.9188 0.9022 0.8994 0.9011 0.9040 0.9085 0.8977 0.9019 0.8715 0.8672 0.8613 0.8531 0.8466 0.8550 0.8479 0.8432 0.8418 0.8425 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 -0.0593 -0.2052 -0.2772 -0.4489 -0.3221 -0.0885 0.0895 0.0334 -0.0929 -0.2703 -0.2659 -0.2017 0.4139 0.0416 0.3987 -0.0330 -0.2189 -0.1462 -0.1603 0.1385 -0.1756 0.2715 0.2830 -0.2451 -0.1752 -0.1206 -0.1615 -0.1840 0.0812 0.0978 0.1006 0.0989 0.0960 0.0915 0.1023 0.0981 0.1285 0.1328 0.1387 0.1469 0.1534 0.1450 0.1521 0.1568 0.1582 0.1575 1.2712 1.2454 1.0874 2.1303 2.0629 2.0787 3.1094 3.7320 3.8661 3.8541 3.9077 3.9094 3.8995 4.1749 4.2140 3.7288 3.6970 4.0737 3.9792 3.9587 3.7940 3.9330 3.9903 3.6803 3.9918 3.8704 3.8972 3.9163 3.9046 1.0472 1.0327 0.9993 1.0003 1.0182 1.0059 1.0006 1.0012 1.0195 1.0233 1.0223 1.0055 0.9987 1.0087 1.0024 0.9893 0.9909 0.9903 1.2712 1.2454 1.0874 2.1303 2.0629 2.0787 3.1094 3.7320 3.8661 3.8541 3.9077 3.9094 3.8995 4.1749 4.2140 3.7288 3.6970 4.0737 3.9792 3.9587 3.7940 3.9330 3.9903 3.6803 3.9918 3.8704 3.8972 3.9163 3.9046 1.0472 1.0327 0.9993 1.0003 1.0182 1.0059 1.0006 1.0012 1.0195 1.0233 1.0223 1.0055 0.9987 1.0087 1.0024 0.9893 0.9909 0.9903 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 1.1874 1.1589 1.0280 1.1509 0.8342 1.8897 0.9261 0.9604 3.0569 0.9076 0.8618 0.9506 0.9508 0.9080 1.0376 0.9912 1.0358 1.0158 0.9928 0.9879 0.9862 0.9883 0.9935 0.9869 1.8545 0.9514 0.9339 0.9184 0.9815 1.3513 1.3697 1.4206 0.9669 1.4284 0.9686 1.3628 1.4303 0.9781 1.3632 1.3370 1.4504 0.9851 1.4099 0.9672 1.3967 0.9800 1.4275 0.9767 0.9824 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 -0.023307408 -2149.962601645655 0.75209 -1.87311 -1.12102 -31.33715 29.68062 -1.65652 5.09735 -3.90854 1.18881 2.32681 5.91428