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:-5.2066,2.7774,.9769;-5.2679,5.3381,-.3512;3.5033,-3.6651,-1.3036;1.1035,2.0601,-.16;-.4572,.7703,.783;3.2187,-3.2719,1.3939;4.2167,2.9269,.4836;-1.9775,1.6081,-1.8679;-2.5587,2.3058,-.6714;-1.064,2.3554,-.9137;-2.135,2.2138,-3.2415;-1.9954,.0996,-1.8827;-3.3258,3.5516,-.7968;-.1607,1.6321,-.0025;-4.444,3.8398,-.1429;2.0975,1.4039,.6117;2.4332,.0294,.0813;3.2741,2.273,.5327;2.5998,-1.0227,.971;2.6,-.1748,-1.2818;2.9641,-2.2745,.5058;2.9457,-1.4301,-1.7568;3.1377,-2.4594,-.8607;2.5102,-4.4438,1.3359;3.1167,-5.5502,1.916;1.2446,-4.5394,.7755;2.4515,-6.7655,1.925;.5943,-5.767,.7873;1.19,-6.8829,1.3553;-2.8657,1.6431,.1298;-.662,3.2848,-1.3009;-3.1214,1.9834,-3.6483;-2.0137,3.2962,-3.2513;-1.3909,1.7981,-3.923;-1.1208,-.2936,-2.405;-2.0233,-.3435,-.8894;-2.8811,-.2479,-2.4175;-2.9515,4.3103,-1.4739;1.8051,1.3417,1.6652;2.4624,-.874,2.0355;2.4718,.6367,-1.9864;3.0857,-1.6047,-2.8156;4.1025,-5.4563,2.354;.7543,-3.6777,.3395;2.9286,-7.627,2.3742;-.3918,-5.843,.3475;.6759,-7.8348,1.3564; 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 2862.0911678945 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 7.632e-06 Time for diagonalization 0.447 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.371 sec Total time needed 0.832 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:-5.2066,2.7774,.9769;-5.2679,5.3381,-.3512;3.5033,-3.6651,-1.3036;1.1035,2.0601,-.16;-.4572,.7703,.783;3.2187,-3.2719,1.3939;4.2167,2.9269,.4836;-1.9775,1.6081,-1.8679;-2.5587,2.3058,-.6714;-1.064,2.3554,-.9137;-2.135,2.2138,-3.2415;-1.9954,.0996,-1.8827;-3.3258,3.5516,-.7968;-.1607,1.6321,-.0025;-4.444,3.8398,-.1429;2.0975,1.4039,.6117;2.4332,.0294,.0813;3.2741,2.273,.5327;2.5998,-1.0227,.971;2.6,-.1748,-1.2818;2.9641,-2.2745,.5058;2.9457,-1.4301,-1.7568;3.1377,-2.4594,-.8607;2.5102,-4.4438,1.3359;3.1167,-5.5502,1.916;1.2446,-4.5394,.7755;2.4515,-6.7655,1.925;.5943,-5.767,.7873;1.19,-6.8829,1.3553;-2.8657,1.6431,.1298;-.662,3.2848,-1.3009;-3.1215,1.9834,-3.6483;-2.0137,3.2962,-3.2513;-1.3909,1.7981,-3.923;-1.1208,-.2936,-2.405;-2.0233,-.3435,-.8894;-2.8811,-.2479,-2.4175;-2.9515,4.3103,-1.4739;1.8051,1.3417,1.6652;2.4624,-.874,2.0355;2.4718,.6367,-1.9864;3.0857,-1.6047,-2.8156;4.1025,-5.4563,2.354;.7543,-3.6777,.3395;2.9286,-7.627,2.3742;-.3918,-5.843,.3475;.6759,-7.8348,1.3564; 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:-5.2066,2.7774,.9769;-5.2679,5.3381,-.3512;3.5033,-3.6651,-1.3036;1.1035,2.0601,-.16;-.4572,.7703,.783;3.2187,-3.2719,1.3939;4.2167,2.9269,.4836;-1.9775,1.6081,-1.8679;-2.5587,2.3058,-.6714;-1.064,2.3554,-.9137;-2.135,2.2138,-3.2415;-1.9954,.0996,-1.8827;-3.3258,3.5516,-.7968;-.1607,1.6321,-.0025;-4.444,3.8398,-.1429;2.0975,1.4039,.6117;2.4332,.0294,.0813;3.2741,2.273,.5327;2.5998,-1.0227,.971;2.6,-.1748,-1.2818;2.9641,-2.2745,.5058;2.9457,-1.4301,-1.7568;3.1377,-2.4594,-.8607;2.5102,-4.4438,1.3359;3.1167,-5.5502,1.916;1.2446,-4.5394,.7755;2.4515,-6.7655,1.925;.5943,-5.767,.7873;1.19,-6.8829,1.3553;-2.8657,1.6431,.1298;-.662,3.2848,-1.3009;-3.1214,1.9834,-3.6483;-2.0137,3.2962,-3.2513;-1.3909,1.7981,-3.923;-1.1208,-.2936,-2.405;-2.0233,-.3435,-.8894;-2.8811,-.2479,-2.4175;-2.9515,4.3103,-1.4739;1.8051,1.3417,1.6652;2.4624,-.874,2.0355;2.4718,.6367,-1.9864;3.0857,-1.6047,-2.8156;4.1025,-5.4563,2.354;.7543,-3.6777,.3395;2.9286,-7.627,2.3742;-.3918,-5.843,.3475;.6759,-7.8348,1.3564; 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 3040.5720 GEPOL Surface-area 1685.0799 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -2149.93936525 2862.09116789 -5012.03053315 -8637.14833076 3625.11779761 -0.03337101 -4293.40753278 2143.46816753 2.00301903 111.999977284489 111.999977284489 223.999954568978 -159.159507999347 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 -2765.6743 -2765.6298 -675.1863 -525.2773 -524.8284 -523.4460 -392.9491 -283.7493 -282.9110 -282.8141 -282.3931 -281.8705 -281.6361 -281.2843 -280.6669 -280.6180 -280.4069 -280.3960 -280.3532 -280.2660 -280.2202 -280.1950 -279.8407 -279.8257 -279.7803 -279.7213 -279.6122 -279.3564 -279.3010 -260.9425 -260.8977 -199.7839 -199.7411 -199.5380 -199.5316 -199.4909 -199.4873 -37.1128 -34.2217 -33.1745 -31.6263 -28.4943 -28.4403 -27.6906 -27.4400 -26.7036 -26.0183 -25.5213 -24.4714 -24.1309 -23.7554 -23.6721 -23.2213 -23.0364 -22.0011 -21.3190 -20.8312 -20.4664 -19.7735 -19.5980 -19.1397 -18.5354 -18.3025 -18.1887 -17.7484 -17.5769 -17.1562 -16.9204 -16.8858 -16.3956 -16.2320 -16.1871 -15.9990 -15.7798 -15.5346 -15.2466 -14.9515 -14.8323 -14.7675 -14.6897 -14.4292 -14.3139 -14.1673 -14.1213 -13.8749 -13.8500 -13.6949 -13.6514 -13.3805 -13.2104 -13.0272 -12.9736 -12.8483 -12.6963 -12.5474 -12.4164 -12.3277 -12.1903 -12.1108 -11.9226 -11.8449 -11.7567 -11.5049 -11.4251 -11.2154 -10.8342 -10.3674 -9.7210 -9.5105 -9.3926 -8.9338 -8.6552 1.0530 1.1647 1.3940 1.6446 1.9679 2.1120 2.4822 2.5539 2.9649 3.0653 3.2723 3.6521 3.6976 3.9553 4.1588 4.2428 4.4975 4.5671 4.7583 4.8430 4.9048 4.9805 5.0670 5.1868 5.3115 5.4841 5.6137 5.6859 5.7641 5.9310 6.0285 6.1591 6.2683 6.3717 6.4064 6.6558 6.6911 6.8466 6.8816 6.9577 7.0500 7.3024 7.3152 7.6820 7.7304 7.7373 7.8556 7.9128 7.9924 8.0547 8.0974 8.1965 8.2894 8.3957 8.4084 8.5114 8.5884 8.5932 8.8721 9.0057 9.1167 9.1575 9.2958 9.4850 9.6417 9.6939 9.7111 9.8658 9.9773 10.0423 10.1375 10.2736 10.3365 10.3671 10.5571 10.6300 10.7887 10.8756 10.9363 11.1173 11.2020 11.2455 11.3385 11.4149 11.4309 11.4780 11.6473 11.7385 11.8221 11.8899 11.9525 12.0234 12.1410 12.2171 12.3369 12.4012 12.4729 12.6251 12.6831 12.7610 12.8763 12.9671 13.0027 13.1258 13.1590 13.2233 13.3105 13.4629 13.6098 13.7106 13.8205 13.8846 13.9316 14.0216 14.1210 14.2145 14.2444 14.4213 14.5180 14.5674 14.6244 14.7250 14.7772 14.9012 14.9280 15.0211 15.1168 15.2348 15.4333 15.5322 15.5598 15.6528 15.6966 15.8198 15.8732 15.9419 16.0437 16.2676 16.3162 16.3739 16.5286 16.5795 16.6733 16.7670 16.8128 17.0162 17.0849 17.1338 17.3610 17.4373 17.6288 17.6780 17.7293 17.9376 18.0962 18.1804 18.4536 18.6437 18.7471 18.8730 19.0324 19.1442 19.3038 19.3379 19.5549 19.5802 19.6400 19.7530 19.9302 20.1180 20.3410 20.3824 20.4600 20.5820 20.7476 20.8827 20.9451 21.1704 21.2165 21.3377 21.3907 21.5561 21.6292 21.7649 21.8492 21.9131 22.0852 22.2296 22.3776 22.6560 22.8121 22.9181 22.9519 23.1864 23.3684 23.4139 23.5841 23.6901 23.7877 23.8791 24.0500 24.0957 24.3052 24.3760 24.6004 24.7643 24.8732 24.8983 25.0915 25.3460 25.3802 25.4684 25.8530 26.0147 26.1142 26.4210 26.5459 26.6174 26.9425 26.9672 27.1431 27.2604 27.3406 27.5567 27.5998 27.7804 27.8695 28.0650 28.1933 28.3761 28.4558 28.6359 28.6861 28.7584 28.8828 29.1743 29.3354 29.3985 29.4495 29.6693 29.8944 30.0137 30.0801 30.2694 30.3497 30.3856 30.5201 30.7175 31.0460 31.1297 31.1524 31.2177 31.4056 31.7356 31.7975 31.9534 31.9940 32.0837 32.2145 32.2914 32.4959 32.6633 32.7665 32.8722 32.9838 33.2133 33.3134 33.3629 33.5024 33.6488 33.8171 34.1142 34.2789 34.3465 34.4145 34.5818 34.7327 34.9463 35.0333 35.0465 35.3154 35.4927 35.6108 35.8460 36.0297 36.0915 36.3000 36.3649 36.4016 36.4793 36.5659 36.6882 36.9471 37.0257 37.2721 37.4504 37.5830 37.6837 37.8241 37.9409 38.1409 38.2236 38.3173 38.4184 38.5732 38.6542 38.7012 38.8345 38.9711 39.1350 39.2627 39.2971 39.4369 39.5662 39.9182 39.9632 40.2209 40.3812 40.4983 40.5375 40.6641 40.8189 41.0215 41.1449 41.2878 41.4368 41.5854 41.6917 41.9180 42.0659 42.2009 42.3041 42.4906 42.5706 42.7679 42.9931 43.0685 43.1176 43.3651 43.4734 43.7287 43.7846 43.9741 44.0766 44.1363 44.3823 44.4781 44.5694 44.6394 44.7055 44.8680 45.0904 45.3611 45.3959 45.4319 45.5794 45.6685 45.7754 45.8807 46.0776 46.1608 46.2067 46.5853 46.7963 47.0478 47.1722 47.2898 47.5019 47.5233 47.8802 47.9784 48.1492 48.2791 48.3044 48.5202 48.7060 48.7890 49.1348 49.2787 49.3924 49.6302 49.6463 49.7880 50.0808 50.2516 50.4102 50.6957 50.7905 51.0714 51.2716 51.3660 51.5252 51.6940 51.7624 51.8367 51.9057 52.1261 52.2241 52.3662 52.4011 52.5241 52.7456 52.8438 53.1041 53.2736 53.3814 53.8300 54.2760 54.4497 54.6627 54.8307 55.0026 55.2867 55.5085 55.6637 55.7814 56.0728 56.1022 56.3346 56.4922 56.5840 56.8533 57.1205 57.2221 57.2950 57.5085 57.6317 57.9426 58.0656 58.2014 58.3126 58.6504 58.8104 58.8697 58.9701 59.1050 59.2297 59.3649 59.4861 59.6987 59.8915 59.9501 60.0570 60.3637 60.8017 61.0760 61.3042 61.4540 61.7119 61.8064 62.1242 62.2908 62.4046 62.5215 62.8586 62.9967 63.1122 63.1634 63.3632 63.4174 63.7386 63.8836 64.2828 64.3328 64.5932 64.7418 64.8103 64.9769 64.9952 65.2476 65.3032 65.4920 65.8140 65.9696 66.2077 66.4981 66.5828 66.9704 67.2387 67.2844 67.3657 67.4720 67.7219 68.0269 68.3178 68.4080 68.7856 68.9501 69.2517 69.3692 69.6296 69.8139 70.0493 70.4364 70.5003 70.9521 71.2969 71.5242 71.7890 71.9432 72.1675 72.4716 72.6190 73.1201 73.3462 73.4520 73.7662 73.8349 73.9968 74.2934 74.6620 74.7079 74.8620 74.9608 74.9877 75.2758 75.7135 75.9864 76.0672 76.1601 76.5201 76.6509 76.7837 76.9346 77.0146 77.3769 77.5611 77.7461 77.8564 77.8888 78.1936 78.2416 78.3371 78.5112 78.6676 78.7029 78.9123 79.0807 79.0891 79.4186 79.4566 79.5422 79.6184 79.6810 79.7966 79.8881 79.9080 80.0980 80.1609 80.2393 80.6074 80.7280 80.7690 81.0031 81.0462 81.3238 81.4772 81.5965 81.7862 81.8956 82.0483 82.2207 82.2706 82.3571 82.6100 82.7294 82.8148 82.9608 83.2285 83.4087 83.5273 83.6967 83.9307 84.0725 84.0788 84.2547 84.3940 84.4677 84.6448 84.7367 84.8992 84.9451 85.0679 85.2197 85.3806 85.4999 85.5511 85.6666 85.9575 85.9785 86.0047 86.0115 86.0984 86.2575 86.4070 86.6998 86.7878 86.8785 87.1591 87.4888 87.7640 87.9028 87.9259 88.0176 88.2575 88.3419 88.4293 88.4936 88.7568 88.8142 88.8694 88.9970 89.0884 89.1207 89.2373 89.3494 89.5255 89.6840 89.7976 89.9237 90.0070 90.1165 90.3373 90.3574 90.5848 90.7067 90.7302 90.9851 91.0654 91.2073 91.3623 91.4739 91.5923 91.8006 91.8157 91.9828 92.4112 92.4751 92.5908 92.6911 92.7562 92.8529 93.0560 93.0963 93.1900 93.3986 93.4998 93.5478 93.6112 93.7397 93.8752 93.9664 94.0847 94.2193 94.2466 94.4965 94.5606 94.7740 94.8602 95.0063 95.1581 95.3268 95.3827 95.5872 95.8113 95.9564 96.1578 96.4092 96.4547 96.7165 96.8472 96.9864 97.1161 97.1699 97.2981 97.3761 97.5339 97.6056 97.7079 97.9156 98.0490 98.3066 98.3807 98.4572 98.4735 98.8930 98.9567 99.0813 99.1912 99.2674 99.6227 99.6756 99.7546 100.0164 100.2626 100.5994 100.6190 100.7890 101.0642 101.2767 101.3311 101.5896 101.7501 102.0915 102.1528 102.5148 102.6017 102.7463 102.9465 103.0730 103.5438 103.6429 103.7872 103.9182 104.2022 104.3092 104.5320 104.6868 104.8481 104.9557 105.3693 105.4080 105.5034 105.6223 105.6474 105.6759 105.8625 106.1058 106.3366 106.3771 106.5375 106.7065 106.8399 106.9146 107.1421 107.2419 107.3970 107.5793 107.7710 107.9312 108.0700 108.2726 108.6297 108.8873 109.1295 109.2050 109.5048 109.5406 109.7804 109.9236 110.0424 110.2117 110.2673 110.3663 110.6284 110.7523 110.8793 111.0011 111.2591 111.3091 111.5073 111.6206 111.7944 111.8140 112.0790 112.3725 112.7564 112.9295 113.1755 113.3710 113.5069 113.6459 113.7177 113.8306 113.9565 114.1768 114.3240 114.5725 114.6939 114.9029 115.1245 115.2451 115.3081 115.5651 115.8245 115.9614 116.1045 116.3182 116.5266 116.5703 116.6739 116.9031 117.0210 117.0966 117.2670 117.3659 117.5007 117.6387 117.6555 117.8571 117.9416 118.0571 118.1755 118.2713 118.3953 118.7089 118.7406 118.8958 118.9704 119.3988 119.4912 119.6474 120.1002 120.1460 120.3644 120.4614 120.5711 120.8311 120.9928 121.3140 121.4469 121.7301 121.9907 122.0190 122.1358 122.2688 122.2782 122.7077 123.0650 123.5513 123.6492 124.0484 124.2943 124.4551 124.6931 125.1195 125.3323 125.7990 125.9522 126.1521 126.2760 126.3814 126.5970 126.7505 126.9584 127.3702 127.4383 127.8355 128.1495 128.2836 128.8173 129.1522 129.3064 129.4482 129.5655 129.7460 129.7675 129.9000 130.2082 130.4056 130.5600 130.7993 131.0308 131.2217 131.3417 131.5428 131.6223 131.9024 132.1597 132.5453 132.6168 132.7711 132.9945 133.1761 133.4877 133.7715 134.1673 134.3935 134.4377 134.8169 135.1292 135.2432 135.3855 135.6384 136.2724 136.6162 137.4446 137.8920 138.0393 138.1940 138.2596 138.5034 138.7673 138.8744 139.5937 139.6445 139.9567 140.2276 140.7496 141.1061 141.2018 141.4238 141.9196 142.3705 142.5187 142.9314 143.1291 143.2689 143.5467 143.9390 144.1071 144.3250 144.3471 144.5246 144.7254 145.1493 145.4971 145.5905 145.9848 146.3995 146.5183 146.8649 147.2564 147.5118 147.7947 147.9008 148.1701 148.3179 148.7543 149.3977 149.4479 149.7230 149.8791 149.9544 150.3769 150.5489 150.8784 151.3027 151.6093 151.6929 152.0805 152.5459 152.7438 152.8533 153.4060 153.4437 153.8820 154.4243 154.9166 155.1046 155.5783 156.3665 156.5425 156.5842 157.1714 157.6907 157.8470 158.3039 158.7017 159.2715 159.5414 159.7246 159.9252 160.3139 160.7214 161.3616 161.4769 161.9995 162.3344 163.1110 163.7192 163.8633 164.8181 165.6818 167.6721 168.4326 169.6161 170.6693 171.1738 172.4203 172.9345 174.5834 175.8373 176.8604 178.0346 178.8103 180.2274 182.2541 182.9450 185.5608 186.5109 186.8417 188.6574 188.9936 189.3646 189.9327 191.2880 192.3109 192.7199 193.4070 195.1575 196.1626 196.2390 198.9407 199.6939 201.1017 204.8685 206.1593 206.4873 206.8418 212.6044 221.3324 221.6812 222.3947 222.9134 222.9280 223.5264 225.7424 225.9492 227.8701 229.2692 230.1744 235.9485 241.1763 247.9712 249.0040 294.4901 294.7522 295.6910 297.0896 308.5053 313.3110 609.0414 617.7542 618.8317 626.0094 628.9804 629.5865 631.2635 632.4855 633.0006 634.1920 635.1272 635.2810 635.4595 636.7348 636.8873 639.3142 642.1175 642.6197 647.4131 650.4938 655.7636 657.9583 701.5047 707.5967 876.2034 1200.0834 1212.7248 1214.7996 1564.5030 -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 -0.054980 -0.059066 -0.206741 -0.279994 -0.435494 -0.321432 -0.085624 0.088866 0.030440 -0.071333 -0.264214 -0.263333 -0.202419 0.370817 0.039920 0.408638 -0.002227 -0.229030 -0.179893 -0.182901 0.147867 -0.170544 0.275832 0.280073 -0.247038 -0.176491 -0.120324 -0.157545 -0.184695 0.080631 0.098717 0.102603 0.090816 0.098728 0.097694 0.095334 0.100304 0.130255 0.142073 0.140095 0.150764 0.152672 0.145129 0.154914 0.156243 0.158643 0.157250 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 17.0550 17.0591 9.2067 8.2800 8.4355 8.3214 7.0856 5.9111 5.9696 6.0713 6.2642 6.2633 6.2024 5.6292 5.9601 5.5914 6.0022 6.2290 6.1799 6.1829 5.8521 6.1705 5.7242 5.7199 6.2470 6.1765 6.1203 6.1575 6.1847 0.9194 0.9013 0.8974 0.9092 0.9013 0.9023 0.9047 0.8997 0.8697 0.8579 0.8599 0.8492 0.8473 0.8549 0.8451 0.8438 0.8414 0.8427 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 -0.0550 -0.0591 -0.2067 -0.2800 -0.4355 -0.3214 -0.0856 0.0889 0.0304 -0.0713 -0.2642 -0.2633 -0.2024 0.3708 0.0399 0.4086 -0.0022 -0.2290 -0.1799 -0.1829 0.1479 -0.1705 0.2758 0.2801 -0.2470 -0.1765 -0.1203 -0.1575 -0.1847 0.0806 0.0987 0.1026 0.0908 0.0987 0.0977 0.0953 0.1003 0.1303 0.1421 0.1401 0.1508 0.1527 0.1451 0.1549 0.1562 0.1586 0.1573 1.2705 1.2458 1.0845 2.1251 2.0772 2.0770 3.1128 3.7379 3.8783 3.8347 3.9065 3.9060 3.8931 4.2225 4.2144 3.7119 3.6213 4.0858 4.0273 3.9228 3.7814 3.9236 3.9780 3.6824 3.9946 3.8769 3.8968 3.9103 3.9031 1.0477 1.0324 1.0008 1.0056 1.0014 1.0000 1.0165 1.0011 1.0179 1.0182 1.0137 1.0099 0.9979 1.0089 1.0024 0.9894 0.9909 0.9904 1.2705 1.2458 1.0845 2.1251 2.0772 2.0770 3.1128 3.7379 3.8783 3.8347 3.9065 3.9060 3.8931 4.2225 4.2144 3.7119 3.6213 4.0858 4.0273 3.9228 3.7814 3.9236 3.9780 3.6824 3.9946 3.8769 3.8968 3.9103 3.9031 1.0477 1.0324 1.0008 1.0056 1.0014 1.0000 1.0165 1.0011 1.0179 1.0182 1.0137 1.0099 0.9979 1.0089 1.0024 0.9894 0.9909 0.9904 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1888 1.1598 1.0250 1.1391 0.8531 1.9200 0.9265 0.9562 3.0570 0.9063 0.8500 0.9520 0.9523 0.9316 1.0341 0.9886 1.0330 1.0104 0.9935 0.9874 0.9867 0.9934 0.9845 0.9884 1.8541 0.9518 0.8851 0.9368 0.9840 1.3785 1.3318 1.4154 0.9632 1.4176 0.9869 1.3613 1.4316 0.9794 1.3631 1.3427 1.4514 0.9854 1.4097 0.9651 1.3954 0.9804 1.4261 0.9764 0.9827 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 -0.023772687 -2149.963137942234 9.79373 -10.78045 -0.98672 -21.92024 21.35977 -0.56047 -12.00864 10.52261 -1.48603 1.86977 4.75257