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:-5.4893,2.755,-1.2007;-5.2891,5.4119,-.0935;4.7967,-2.4828,-1.4759;.1355,1.1319,.8258;-1.1152,.1592,-.7512;3.0637,-4.0552,-.2425;1.3277,.2161,3.7632;-1.0466,3.0446,-2.0136;-2.3371,2.8597,-1.2737;-1.019,2.5528,-.5802;-.4917,4.4312,-2.236;-.7546,2.1054,-3.158;-3.1278,3.9914,-.7764;-.7058,1.1601,-.2248;-4.4521,4.0351,-.7035;.5362,-.1397,1.2973;1.6658,-.743,.4927;.9792,.0832,2.677;1.7962,-2.125,.4822;2.5852,.0567,-.1708;2.8673,-2.7161,-.1694;3.6388,-.5326,-.8544;3.7751,-1.9034,-.8378;2.7561,-4.8493,.8341;3.0653,-4.4789,2.1369;2.1656,-6.0739,.5618;2.7579,-5.3466,3.1747;1.8766,-6.9366,1.6096;2.1628,-6.575,2.9188;-2.9024,1.9832,-1.5696;-.6814,3.2848,.1444;-.6021,5.0847,-1.3716;.5741,4.374,-2.4635;-.9861,4.9096,-3.0834;.3167,1.9126,-3.2406;-1.2658,1.1491,-3.0743;-1.0779,2.5666,-4.093;-2.5938,4.8659,-.4241;-.3092,-.8351,1.3369;1.0642,-2.7412,.9911;2.4986,1.135,-.166;4.3632,.0732,-1.3832;3.54,-3.5285,2.3488;1.9383,-6.3488,-.4607;2.9928,-5.0578,4.1913;1.4172,-7.8936,1.3975;1.9278,-7.2467,3.7339; 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 2834.6074005307 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 8.048e-06 Time for diagonalization 0.442 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.369 sec Total time needed 0.825 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:-5.4893,2.755,-1.2007;-5.2891,5.4119,-.0935;4.7967,-2.4828,-1.4759;.1355,1.1319,.8258;-1.1152,.1592,-.7512;3.0637,-4.0552,-.2425;1.3277,.2161,3.7632;-1.0466,3.0446,-2.0136;-2.3371,2.8597,-1.2737;-1.019,2.5528,-.5802;-.4917,4.4312,-2.236;-.7546,2.1054,-3.158;-3.1278,3.9914,-.7764;-.7058,1.1601,-.2248;-4.4521,4.0351,-.7035;.5362,-.1397,1.2973;1.6658,-.743,.4927;.9792,.0832,2.677;1.7962,-2.125,.4822;2.5852,.0567,-.1708;2.8673,-2.7161,-.1694;3.6388,-.5326,-.8544;3.7751,-1.9034,-.8378;2.7561,-4.8493,.8341;3.0653,-4.4789,2.1369;2.1656,-6.0739,.5618;2.7579,-5.3466,3.1747;1.8766,-6.9366,1.6096;2.1628,-6.575,2.9188;-2.9024,1.9832,-1.5696;-.6814,3.2848,.1444;-.6021,5.0847,-1.3716;.5741,4.374,-2.4635;-.9861,4.9096,-3.0834;.3167,1.9126,-3.2406;-1.2658,1.1491,-3.0743;-1.0779,2.5666,-4.093;-2.5938,4.8659,-.4241;-.3092,-.8351,1.3369;1.0642,-2.7412,.9911;2.4986,1.135,-.166;4.3632,.0732,-1.3832;3.54,-3.5285,2.3488;1.9383,-6.3488,-.4607;2.9928,-5.0578,4.1913;1.4172,-7.8936,1.3975;1.9278,-7.2467,3.7339; 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:-5.4893,2.755,-1.2007;-5.2891,5.4119,-.0935;4.7967,-2.4828,-1.4759;.1355,1.1319,.8258;-1.1152,.1592,-.7512;3.0637,-4.0552,-.2425;1.3277,.2161,3.7632;-1.0466,3.0446,-2.0136;-2.3371,2.8597,-1.2737;-1.019,2.5528,-.5802;-.4917,4.4312,-2.236;-.7546,2.1054,-3.158;-3.1278,3.9914,-.7764;-.7058,1.1601,-.2248;-4.4521,4.0351,-.7035;.5362,-.1397,1.2973;1.6658,-.743,.4927;.9792,.0832,2.677;1.7962,-2.125,.4822;2.5852,.0567,-.1708;2.8673,-2.7161,-.1694;3.6388,-.5326,-.8544;3.7751,-1.9034,-.8378;2.7561,-4.8493,.8341;3.0653,-4.4789,2.1369;2.1656,-6.0739,.5618;2.7579,-5.3466,3.1747;1.8766,-6.9366,1.6096;2.1628,-6.575,2.9188;-2.9024,1.9832,-1.5696;-.6814,3.2848,.1444;-.6021,5.0847,-1.3716;.5741,4.374,-2.4635;-.9861,4.9096,-3.0834;.3167,1.9126,-3.2406;-1.2658,1.1491,-3.0743;-1.0779,2.5666,-4.093;-2.5938,4.8659,-.4241;-.3092,-.8351,1.3369;1.0642,-2.7412,.9911;2.4986,1.135,-.166;4.3632,.0732,-1.3832;3.54,-3.5285,2.3488;1.9383,-6.3488,-.4607;2.9928,-5.0578,4.1913;1.4172,-7.8936,1.3975;1.9278,-7.2467,3.7339; 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 2771 GEPOL Volume 3029.1959 GEPOL Surface-area 1683.8138 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -2149.93843692 2834.60740053 -4984.54583745 -8582.18967657 3597.64383912 -0.03303575 -4293.40268677 2143.46424985 2.00302043 112.000009953449 112.000009953449 224.000019906898 -159.160601290224 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 -2765.6789 -2765.6295 -675.0732 -525.2722 -524.8521 -523.4419 -392.9399 -283.7580 -282.9042 -282.8187 -282.2841 -281.9208 -281.6203 -281.2783 -280.6581 -280.6208 -280.4325 -280.4081 -280.3578 -280.2287 -280.1633 -280.1303 -279.8664 -279.8543 -279.8309 -279.7836 -279.6799 -279.3581 -279.2816 -260.9473 -260.8974 -199.7888 -199.7407 -199.5426 -199.5365 -199.4905 -199.4869 -36.9895 -34.2188 -33.2172 -31.6387 -28.4847 -28.4458 -27.6935 -27.3995 -26.7420 -26.0223 -25.5204 -24.3973 -24.1380 -23.8241 -23.7150 -23.2474 -22.9921 -21.9904 -21.3341 -20.9627 -20.2751 -19.7844 -19.5582 -19.1044 -18.5318 -18.2777 -18.1810 -17.7362 -17.4588 -17.3348 -16.9627 -16.8101 -16.3571 -16.2633 -16.2296 -16.0280 -15.7256 -15.5034 -15.2073 -14.9866 -14.9196 -14.7492 -14.6613 -14.4776 -14.3157 -14.1513 -14.0746 -13.8794 -13.7625 -13.6536 -13.6050 -13.3838 -13.2356 -12.9981 -12.9633 -12.8658 -12.7003 -12.5276 -12.4695 -12.3005 -12.2293 -12.1798 -11.9042 -11.8162 -11.7609 -11.5134 -11.4484 -11.2211 -10.8063 -10.3805 -9.7964 -9.4808 -9.3745 -8.9296 -8.5872 1.0776 1.2010 1.2918 1.6903 1.8960 2.2226 2.4995 2.5388 2.9725 3.1526 3.3578 3.5047 3.7815 3.9727 4.1317 4.3226 4.4208 4.6184 4.7398 4.8341 4.9060 4.9626 5.0019 5.1885 5.2400 5.5257 5.6343 5.6907 5.8102 5.9454 5.9917 6.2268 6.2683 6.4766 6.5192 6.5920 6.7216 6.8942 6.9038 7.0396 7.0852 7.3235 7.3863 7.5560 7.6667 7.7285 7.7860 7.8670 8.0011 8.0504 8.1116 8.1740 8.2273 8.3983 8.5176 8.5616 8.6186 8.7246 8.8960 8.9430 9.0516 9.2710 9.3612 9.4239 9.5358 9.6770 9.7464 9.8785 10.0521 10.0582 10.1377 10.1898 10.3558 10.5467 10.6513 10.7118 10.7444 10.8603 10.8879 11.0296 11.1188 11.2233 11.3467 11.4016 11.4173 11.5145 11.6429 11.6967 11.7664 11.8431 11.9531 12.1040 12.1790 12.3046 12.3695 12.4811 12.5489 12.5530 12.6552 12.7837 12.7984 12.8634 12.9582 13.0077 13.1611 13.2681 13.3284 13.3900 13.5079 13.5641 13.7758 13.7996 13.9118 13.9660 14.0889 14.1771 14.2841 14.4065 14.5270 14.5839 14.6123 14.6487 14.7643 14.8598 14.9079 15.0246 15.0965 15.1805 15.2637 15.5441 15.5836 15.6285 15.7611 15.8373 15.9402 15.9838 16.0215 16.1217 16.2042 16.2735 16.3966 16.5186 16.5672 16.7122 16.7220 16.8661 17.0293 17.2677 17.3061 17.4132 17.5317 17.7380 17.8840 17.9741 18.1702 18.3120 18.5878 18.6673 18.8479 18.8806 19.0721 19.1718 19.3416 19.4295 19.6838 19.8323 19.8897 19.9584 20.0027 20.1253 20.2481 20.3682 20.4899 20.5747 20.6772 20.8184 21.0533 21.1368 21.2043 21.3461 21.4028 21.5329 21.6548 21.8051 21.8343 21.9610 21.9867 22.1692 22.2612 22.3884 22.5728 22.9132 22.9370 23.0789 23.2990 23.4089 23.4210 23.6245 23.7124 23.7937 24.0044 24.1173 24.2440 24.3309 24.5374 24.6179 24.7805 24.8637 24.9911 25.2980 25.5452 25.6593 25.8804 26.0139 26.2875 26.3419 26.4450 26.6254 26.7456 26.9541 27.1041 27.1935 27.2637 27.4903 27.5766 27.7262 27.9306 28.0196 28.0926 28.4207 28.4831 28.5363 28.7411 28.9057 29.1480 29.1677 29.2671 29.3255 29.3759 29.5061 29.7122 29.8870 29.9964 30.1058 30.2977 30.3328 30.5094 30.7061 30.9137 30.9798 31.0179 31.2047 31.3138 31.3558 31.5666 31.8096 31.9789 32.1283 32.3148 32.4548 32.4765 32.6556 32.7657 32.8836 32.9426 33.1470 33.2980 33.3224 33.4904 33.7000 33.7415 34.0470 34.1839 34.2375 34.3673 34.5585 34.7786 34.8762 35.0050 35.0642 35.3588 35.4718 35.5785 35.7206 35.7969 35.9483 36.0729 36.2313 36.3775 36.4801 36.5725 36.6952 36.7224 37.0025 37.0916 37.3128 37.5262 37.6537 37.7297 38.0349 38.1441 38.1881 38.4185 38.5175 38.5499 38.6331 38.8146 38.8497 39.0149 39.1868 39.2174 39.3325 39.3704 39.4802 39.7278 39.7804 40.1772 40.2242 40.4191 40.5273 40.6270 40.8253 40.9030 40.9784 41.3133 41.4555 41.6242 41.7445 41.8435 42.0638 42.1751 42.2737 42.4420 42.5448 42.7416 42.8649 42.9568 43.0641 43.3089 43.6096 43.6267 43.7157 43.8411 43.8483 44.0994 44.2481 44.3626 44.4895 44.5971 44.6630 44.7629 45.0527 45.2115 45.2443 45.4517 45.5409 45.8161 45.9874 46.1042 46.1623 46.3052 46.4575 46.6385 46.8129 47.0314 47.1447 47.2983 47.4729 47.5806 47.8584 48.0308 48.2270 48.2650 48.2941 48.5074 48.6465 48.7741 49.0105 49.3236 49.4742 49.5653 49.6726 49.9323 50.1900 50.3187 50.4805 50.6711 50.7671 50.8311 51.1209 51.2135 51.3287 51.6206 51.6744 51.8676 52.0005 52.2657 52.2804 52.3800 52.4542 52.6032 52.6868 52.8790 53.0437 53.1695 53.6149 53.6833 54.0558 54.1840 54.4896 54.6561 54.7806 55.2612 55.4316 55.6378 55.9025 55.9927 56.1366 56.2836 56.5495 56.6486 56.7138 57.0311 57.1111 57.2296 57.2893 57.5669 57.9390 57.9914 58.2537 58.4192 58.5652 58.6598 58.8217 58.9138 59.2195 59.2401 59.3185 59.5440 59.6875 59.8757 60.0806 60.2934 60.5337 60.7669 60.8991 61.2849 61.4882 61.7067 61.7281 62.0423 62.2696 62.5806 62.7251 62.7894 62.9733 63.1927 63.2489 63.3570 63.4487 63.6050 64.1355 64.2150 64.3289 64.4881 64.6934 64.8682 64.9898 65.1455 65.2039 65.3685 65.4879 65.5772 66.0136 66.1856 66.3857 66.5570 67.0399 67.1640 67.3166 67.4673 67.5981 67.7832 67.8844 68.1435 68.5434 68.7937 68.8718 69.1678 69.2835 69.3239 69.7729 70.2340 70.3521 70.5020 70.9771 71.1707 71.4520 71.6892 72.0488 72.2345 72.5257 72.7831 72.9887 73.0476 73.2931 73.5036 73.7851 74.0592 74.3369 74.3918 74.6124 74.8623 74.9770 75.1848 75.3600 75.7337 76.0403 76.1435 76.3041 76.4252 76.6189 76.8437 77.0253 77.0611 77.5211 77.6183 77.6478 77.8320 77.9465 78.0103 78.1847 78.3202 78.4695 78.5638 78.7844 78.9721 78.9962 79.2413 79.3354 79.3502 79.5370 79.5807 79.7269 79.8241 79.8626 79.9442 80.0038 80.1098 80.3141 80.5142 80.7426 80.8782 81.0170 81.2028 81.4087 81.5470 81.6513 81.7993 81.8871 82.0975 82.1436 82.1796 82.3924 82.6140 82.6535 82.7949 82.8907 82.9469 83.1764 83.4016 83.4693 83.7204 83.8059 83.8885 84.0217 84.3004 84.4422 84.6462 84.7242 84.7727 84.9732 85.0738 85.1525 85.3746 85.4294 85.5668 85.6491 85.6591 85.7620 85.9901 86.1318 86.2503 86.3185 86.5495 86.7172 86.8532 86.9339 87.0875 87.2442 87.6023 87.7242 87.7699 88.0634 88.1790 88.2625 88.4279 88.4980 88.5432 88.6049 88.7245 88.8633 88.9989 89.0349 89.1628 89.2974 89.4427 89.5325 89.6719 89.8172 89.9340 89.9899 90.1234 90.2035 90.6025 90.6692 90.7688 91.0091 91.1217 91.2365 91.3504 91.4823 91.6407 91.7601 92.0156 92.2199 92.3134 92.4050 92.4901 92.5725 92.6895 92.8334 93.0099 93.1298 93.2002 93.4345 93.5517 93.5649 93.6566 93.6592 93.8094 93.9317 94.0699 94.3475 94.4210 94.5921 94.6293 94.7334 94.8964 95.1587 95.2292 95.3702 95.5385 95.5847 95.8762 96.0426 96.1348 96.3280 96.4096 96.4922 96.9386 96.9760 97.0888 97.3269 97.3957 97.4532 97.5605 97.6549 97.7110 97.9151 97.9440 98.2222 98.3899 98.5404 98.6767 98.8018 98.8626 98.9556 99.1181 99.3530 99.6435 99.8691 99.9870 100.0990 100.3845 100.5370 100.8250 100.9775 101.0500 101.1083 101.4827 101.6047 101.7000 102.0143 102.2109 102.5155 102.5986 102.7922 102.8705 103.0280 103.3786 103.4909 103.7935 103.8797 104.3160 104.3934 104.4772 104.7045 104.8238 104.8967 105.0003 105.4064 105.5176 105.5266 105.6190 105.7590 105.9995 106.0905 106.2798 106.4517 106.5727 106.7074 106.8711 106.9823 107.2003 107.2488 107.4262 107.5914 107.6848 108.0304 108.1624 108.2446 108.3479 108.7549 108.8051 109.0411 109.3782 109.4439 109.7395 109.9329 109.9856 110.1428 110.2930 110.4692 110.7266 110.8220 110.8505 110.9870 111.1782 111.2140 111.3869 111.6253 111.9076 112.0313 112.1908 112.3508 112.5241 112.7894 113.0313 113.1294 113.3157 113.3902 113.5492 113.6858 113.7500 114.0654 114.3201 114.6751 114.6813 114.7986 114.9213 115.1217 115.4872 115.6151 115.8708 115.9342 115.9730 116.2894 116.4432 116.5400 116.5648 116.6818 116.9224 117.0059 117.2673 117.4046 117.5777 117.6557 117.7882 117.8751 118.0072 118.0347 118.1700 118.3634 118.6095 118.7089 118.8386 118.9113 119.0280 119.2023 119.3020 119.6685 120.0972 120.1800 120.1984 120.3111 120.4077 120.9824 121.0327 121.2786 121.6030 121.6990 121.8002 121.9621 122.0234 122.2840 122.5769 122.7821 123.2553 123.5298 123.6310 124.0259 124.2637 124.4126 124.5857 125.2701 125.4735 125.7679 126.0122 126.0439 126.2549 126.4543 126.5915 126.8380 127.2114 127.3431 127.5615 127.7373 128.2653 128.4583 128.7698 128.8429 129.0764 129.2331 129.4822 129.6986 129.8756 129.9123 130.1899 130.3330 130.5142 130.8947 131.1097 131.2479 131.3492 131.4767 131.6429 132.0281 132.0925 132.1246 132.5933 132.7954 132.8958 132.9785 133.2929 133.7147 134.1840 134.4097 134.7196 135.0744 135.2099 135.3411 135.6765 136.1653 136.4152 136.6161 137.4065 137.5256 137.6382 137.9008 138.2354 138.5378 138.7272 139.0953 139.1769 139.5613 139.8522 140.0837 140.7277 141.0340 141.2312 141.2703 142.0084 142.1896 142.5218 142.8823 142.9940 143.2796 143.6233 143.9924 144.1944 144.2538 144.2771 144.4592 144.9890 145.2325 145.5089 145.5647 146.0880 146.3598 146.5942 146.8285 147.2985 147.5935 147.6201 147.8409 148.0653 148.3308 148.8314 148.8715 149.5830 149.6378 149.7986 150.1930 150.2282 150.4378 150.9860 151.1104 151.4474 151.7393 151.9341 152.3593 152.4410 152.7700 153.2578 153.4901 154.0225 154.7583 154.8767 155.2497 155.7611 156.5281 156.5645 156.6457 157.0296 157.6727 157.8963 158.1597 158.5889 159.2262 159.4942 159.6942 159.9488 160.2987 160.7283 161.1491 161.4696 161.9583 162.3003 162.3531 163.2454 163.9281 164.8764 165.7116 167.9025 168.3027 169.4059 170.8499 172.2675 172.7582 173.0732 173.9755 175.9945 176.6196 178.2625 178.9292 180.1784 181.8741 182.6249 185.8743 186.5353 186.8388 188.7749 188.8651 189.3023 190.1015 190.9726 192.4750 192.6841 193.4782 195.2086 195.8439 196.0453 198.7432 200.0292 201.7427 204.8244 205.6281 206.4713 207.1249 212.7792 221.3197 221.6497 222.3908 222.9042 222.9407 223.5108 225.7259 225.9734 227.8887 229.2663 229.7520 235.8080 241.0256 247.8327 248.9000 294.4836 294.7516 295.7012 297.1084 308.5180 313.3070 609.1898 617.8925 618.1330 625.7894 629.0630 629.6886 631.2991 632.3492 633.2952 634.0855 635.0873 635.3277 635.6365 636.4868 636.6762 639.7701 641.6010 642.0869 647.2250 650.4408 655.6654 657.8273 701.5600 707.6801 876.3641 1200.4390 1213.1214 1214.6181 1563.0707 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 -0.054059 -0.059241 -0.208233 -0.287439 -0.437327 -0.324157 -0.086666 0.093411 0.025925 -0.074339 -0.268952 -0.263267 -0.199051 0.383370 0.040544 0.393273 0.016401 -0.223623 -0.186275 -0.185705 0.200291 -0.171783 0.208789 0.275192 -0.186238 -0.242164 -0.142011 -0.121230 -0.182384 0.082652 0.097090 0.092089 0.098452 0.101945 0.098279 0.095605 0.098917 0.129113 0.143045 0.148645 0.148760 0.151041 0.157760 0.147092 0.159637 0.158438 0.158389 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 17.0541 17.0592 9.2082 8.2874 8.4373 8.3242 7.0867 5.9066 5.9741 6.0743 6.2690 6.2633 6.1991 5.6166 5.9595 5.6067 5.9836 6.2236 6.1863 6.1857 5.7997 6.1718 5.7912 5.7248 6.1862 6.2422 6.1420 6.1212 6.1824 0.9173 0.9029 0.9079 0.9015 0.8981 0.9017 0.9044 0.9011 0.8709 0.8570 0.8514 0.8512 0.8490 0.8422 0.8529 0.8404 0.8416 0.8416 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 -0.0541 -0.0592 -0.2082 -0.2874 -0.4373 -0.3242 -0.0867 0.0934 0.0259 -0.0743 -0.2690 -0.2633 -0.1991 0.3834 0.0405 0.3933 0.0164 -0.2236 -0.1863 -0.1857 0.2003 -0.1718 0.2088 0.2752 -0.1862 -0.2422 -0.1420 -0.1212 -0.1824 0.0827 0.0971 0.0921 0.0985 0.1019 0.0983 0.0956 0.0989 0.1291 0.1430 0.1486 0.1488 0.1510 0.1578 0.1471 0.1596 0.1584 0.1584 1.2717 1.2456 1.0841 2.1142 2.0755 2.0850 3.1139 3.7329 3.8902 3.8344 3.9108 3.9042 3.9004 4.1836 4.2165 3.7349 3.6749 4.0606 3.9668 3.9177 3.7135 3.9026 4.0601 3.6997 3.9080 4.0068 3.8899 3.8849 3.9076 1.0464 1.0334 1.0058 1.0013 1.0005 1.0002 1.0180 1.0004 1.0195 1.0206 1.0034 1.0104 0.9984 0.9963 1.0069 0.9901 0.9890 0.9903 1.2717 1.2456 1.0841 2.1142 2.0755 2.0850 3.1139 3.7329 3.8902 3.8344 3.9108 3.9042 3.9004 4.1836 4.2165 3.7349 3.6749 4.0606 3.9668 3.9177 3.7135 3.9026 4.0601 3.6997 3.9080 4.0068 3.8899 3.8849 3.9076 1.0464 1.0334 1.0058 1.0013 1.0005 1.0002 1.0180 1.0004 1.0195 1.0206 1.0034 1.0104 0.9984 0.9963 1.0069 0.9901 0.9890 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 1.1882 1.1602 1.0731 1.1119 0.8632 1.9175 0.9885 0.9259 3.0556 0.9210 0.8523 0.9488 0.9510 0.9059 1.0424 0.9923 1.0310 1.0156 0.9887 0.9866 0.9938 0.9916 0.9870 0.9878 1.8535 0.9507 0.8964 0.9303 0.9861 1.4017 1.3446 1.3680 0.9485 1.3979 0.9794 1.3657 1.4450 0.9828 1.3540 1.3894 1.4169 0.9698 1.4292 0.9831 1.4134 0.9761 1.4068 0.9779 0.9813 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 -0.023270606 -2149.961707523144 19.77329 -19.51631 0.25697 -10.30162 11.04538 0.74376 -3.83785 2.94555 -0.89229 1.18971 3.02400