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:-3.1126,4.5398,.2572;-5.3204,3.5447,1.8237;4.9336,-3.2927,-.8412;.757,1.3099,.2413;.6908,-.1075,1.9597;2.504,-2.9062,-1.8857;2.796,2.4569,2.702;-2.0357,.2353,-.492;-2.1393,1.5344,.2521;-1.337,.3843,.8464;-1.2758,.2152,-1.7958;-3.2158,-.7077,-.5061;-3.3728,1.9405,.9367;.1141,.4793,1.0807;-3.8596,3.1738,.9898;2.16,1.4354,.3784;2.9222,.1599,.0732;2.4967,1.9835,1.6992;2.3616,-.7688,-.791;4.187,-.0656,.5996;3.0283,-1.9483,-1.0778;4.881,-1.2222,.276;4.2919,-2.1583,-.5458;1.189,-3.2635,-1.7212;.5781,-3.3009,-.4729;.4947,-3.6319,-2.8639;-.744,-3.7108,-.3821;-.8243,-4.0496,-2.7545;-1.451,-4.0863,-1.517;-1.5481,2.3417,-.1637;-1.8178,-.1509,1.6574;-1.9727,.3846,-2.6187;-.5048,.9786,-1.8658;-.8139,-.7613,-1.9588;-3.9622,-.371,-1.228;-2.8931,-1.7054,-.8068;-3.7053,-.8047,.462;-3.9404,1.1748,1.4517;2.4329,2.2025,-.3519;1.3912,-.6013,-1.2398;4.6504,.6476,1.2689;5.8666,-1.4052,.6839;1.1152,-3.0185,.424;.9855,-3.5973,-3.8285;-1.2213,-3.7386,.5891;-1.3639,-4.3407,-3.6464;-2.4809,-4.408,-1.4357; 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 3035.8749018138 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 6.132e-06 Time for diagonalization 0.667 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.590 sec Total time needed 1.282 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:-3.1126,4.5398,.2572;-5.3204,3.5447,1.8237;4.9336,-3.2927,-.8412;.757,1.3099,.2413;.6908,-.1075,1.9597;2.504,-2.9062,-1.8857;2.796,2.4568,2.702;-2.0357,.2353,-.492;-2.1393,1.5344,.2521;-1.337,.3843,.8464;-1.2758,.2152,-1.7958;-3.2158,-.7077,-.5061;-3.3728,1.9405,.9367;.1141,.4793,1.0807;-3.8596,3.1738,.9898;2.16,1.4354,.3784;2.9222,.1599,.0732;2.4967,1.9835,1.6992;2.3616,-.7688,-.791;4.187,-.0656,.5996;3.0283,-1.9483,-1.0778;4.881,-1.2222,.276;4.2919,-2.1583,-.5458;1.189,-3.2635,-1.7212;.5781,-3.3009,-.4729;.4947,-3.6319,-2.8639;-.744,-3.7108,-.3821;-.8243,-4.0496,-2.7545;-1.451,-4.0863,-1.517;-1.5481,2.3417,-.1637;-1.8178,-.1509,1.6574;-1.9727,.3846,-2.6187;-.5048,.9786,-1.8658;-.8139,-.7613,-1.9588;-3.9622,-.371,-1.228;-2.8931,-1.7054,-.8068;-3.7053,-.8047,.462;-3.9404,1.1748,1.4517;2.4329,2.2025,-.3519;1.3912,-.6013,-1.2398;4.6504,.6476,1.2689;5.8666,-1.4052,.6839;1.1152,-3.0185,.424;.9855,-3.5973,-3.8285;-1.2213,-3.7386,.5891;-1.3639,-4.3407,-3.6464;-2.4809,-4.408,-1.4357; 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:-3.1126,4.5398,.2572;-5.3204,3.5447,1.8237;4.9336,-3.2927,-.8412;.757,1.3099,.2413;.6908,-.1075,1.9597;2.504,-2.9062,-1.8857;2.796,2.4569,2.702;-2.0357,.2353,-.492;-2.1393,1.5344,.2521;-1.337,.3843,.8464;-1.2758,.2152,-1.7958;-3.2158,-.7077,-.5061;-3.3728,1.9405,.9367;.1141,.4793,1.0807;-3.8596,3.1738,.9898;2.16,1.4354,.3784;2.9222,.1599,.0732;2.4967,1.9835,1.6992;2.3616,-.7688,-.791;4.187,-.0656,.5996;3.0283,-1.9483,-1.0778;4.881,-1.2222,.276;4.2919,-2.1583,-.5458;1.189,-3.2635,-1.7212;.5781,-3.3009,-.4729;.4947,-3.6319,-2.8639;-.744,-3.7108,-.3821;-.8243,-4.0496,-2.7545;-1.451,-4.0863,-1.517;-1.5481,2.3417,-.1637;-1.8178,-.1509,1.6574;-1.9727,.3846,-2.6187;-.5048,.9786,-1.8658;-.8139,-.7613,-1.9588;-3.9622,-.371,-1.228;-2.8931,-1.7054,-.8068;-3.7053,-.8047,.462;-3.9404,1.1748,1.4517;2.4329,2.2025,-.3519;1.3912,-.6013,-1.2398;4.6504,.6476,1.2689;5.8666,-1.4052,.6839;1.1152,-3.0185,.424;.9855,-3.5973,-3.8285;-1.2213,-3.7386,.5891;-1.3639,-4.3407,-3.6464;-2.4809,-4.408,-1.4357; 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 2744 GEPOL Volume 3019.9888 GEPOL Surface-area 1649.2293 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.8s -2149.93360117 3035.87490181 -5185.80850299 -8984.29454354 3798.48604055 -0.03499707 -4293.39337661 2143.45977544 2.00302027 112.000017703490 112.000017703490 224.000035406981 -159.166924856641 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 -2765.6849 -2765.6297 -675.0689 -525.3259 -524.8421 -523.4517 -392.9131 -283.7930 -282.9864 -282.8174 -282.2624 -281.8594 -281.6544 -281.2717 -280.6844 -280.6836 -280.4502 -280.4060 -280.4035 -280.1807 -280.1548 -280.1348 -279.8857 -279.8755 -279.8366 -279.7931 -279.6874 -279.3324 -279.3267 -260.9536 -260.8976 -199.7949 -199.7410 -199.5488 -199.5429 -199.4908 -199.4872 -36.9840 -34.2946 -33.2023 -31.6213 -28.4751 -28.4374 -27.7120 -27.3779 -26.7495 -26.0259 -25.4239 -24.3735 -24.1385 -23.7906 -23.7227 -23.3155 -22.9746 -21.9885 -21.3577 -20.8794 -20.3193 -19.8111 -19.7316 -19.3810 -18.9032 -18.3045 -18.1288 -17.9061 -17.2250 -17.1651 -16.8579 -16.6073 -16.3765 -16.2169 -16.2099 -15.9798 -15.7439 -15.5076 -15.4076 -14.9620 -14.9113 -14.7749 -14.6657 -14.4305 -14.3508 -14.3282 -14.1337 -13.9011 -13.7497 -13.7374 -13.4950 -13.3429 -13.2358 -13.0431 -12.8807 -12.8470 -12.7175 -12.5284 -12.4550 -12.3404 -12.1466 -12.0232 -11.8449 -11.8303 -11.7983 -11.7597 -11.5190 -11.2258 -10.8853 -10.3605 -9.8060 -9.4906 -9.3064 -8.8889 -8.5869 1.0557 1.3111 1.3840 1.7101 1.9450 2.1006 2.2882 2.5085 2.8604 3.1695 3.4181 3.6937 3.7901 3.8846 4.1687 4.2344 4.4436 4.6047 4.6812 4.7145 4.9159 5.0485 5.1602 5.3053 5.3863 5.5352 5.7503 5.7856 5.8940 5.9978 6.2524 6.2645 6.4006 6.4844 6.6080 6.7537 6.7962 7.0073 7.0814 7.1944 7.2731 7.5017 7.5253 7.5502 7.7756 7.8404 7.8924 8.0233 8.1159 8.1837 8.2225 8.3118 8.4638 8.5207 8.6801 8.7403 8.7866 8.9959 9.0888 9.3405 9.4307 9.5041 9.5921 9.6660 9.7856 9.8531 10.0196 10.1065 10.1811 10.3490 10.3880 10.5059 10.6741 10.7157 10.8141 10.9421 11.0824 11.1037 11.2208 11.3015 11.3579 11.4478 11.4602 11.5746 11.6045 11.7315 11.7764 11.9030 11.9227 12.0884 12.1800 12.3073 12.3829 12.5229 12.6593 12.7297 12.7656 12.8056 12.9483 12.9635 13.0814 13.1970 13.2726 13.3109 13.3480 13.4954 13.5602 13.6988 13.8572 13.9039 13.9830 14.1414 14.2848 14.4058 14.4081 14.4911 14.6344 14.7035 14.7420 14.9354 15.0535 15.1215 15.1973 15.2452 15.3000 15.4114 15.4867 15.5290 15.7011 15.8393 15.8763 16.0126 16.1023 16.1222 16.2803 16.3406 16.4146 16.5547 16.5657 16.7493 16.7970 16.9770 17.0396 17.0828 17.2787 17.4766 17.5394 17.6819 17.8200 17.8454 18.0752 18.2823 18.3517 18.5186 18.7377 18.7997 19.0158 19.1493 19.2829 19.3926 19.5453 19.7074 19.7808 19.8641 19.9558 20.0067 20.2051 20.2548 20.3979 20.5621 20.7622 20.8878 20.9323 21.0622 21.1223 21.2465 21.4210 21.4939 21.5900 21.7423 21.8202 21.9242 22.0964 22.1350 22.3148 22.3976 22.5803 22.8055 22.9666 22.9733 23.0720 23.3800 23.5364 23.6777 23.7020 23.8085 23.9585 24.0674 24.1839 24.3803 24.4552 24.5214 24.6396 24.8199 25.1695 25.2080 25.2996 25.4293 25.7384 25.8161 25.9687 26.1175 26.2049 26.3677 26.6764 26.8545 26.9000 27.0406 27.1837 27.2899 27.4101 27.6239 27.6418 27.8205 27.9517 28.0886 28.2804 28.3227 28.5269 28.6750 28.7256 28.8219 29.0280 29.0992 29.3121 29.4470 29.6318 29.9439 30.0486 30.1044 30.2546 30.3885 30.4970 30.6004 30.7662 30.9109 30.9439 31.0838 31.2916 31.4542 31.6228 31.7811 31.9484 32.1043 32.2681 32.3102 32.4308 32.4883 32.6943 32.7519 32.8435 33.0041 33.1397 33.1665 33.3427 33.5662 33.7654 33.8493 34.0318 34.1227 34.3094 34.5716 34.6862 34.7390 35.0000 35.0669 35.1614 35.2960 35.4058 35.5728 35.6747 35.9102 35.9785 36.2804 36.4679 36.5193 36.6083 36.7525 36.8443 36.9704 37.0507 37.2225 37.2719 37.4349 37.4981 37.7837 37.8820 37.9416 38.2059 38.2706 38.4779 38.5969 38.7811 38.8168 38.9550 39.0417 39.1499 39.2699 39.4571 39.6240 39.7085 39.7836 39.9144 40.0744 40.1828 40.4419 40.5081 40.5994 40.8201 41.0043 41.2462 41.3082 41.4547 41.4931 41.6712 41.8768 41.9460 42.2602 42.4095 42.4882 42.6438 42.7638 42.8318 43.0782 43.0998 43.2421 43.3665 43.5779 43.6660 43.8761 44.0157 44.2160 44.2739 44.3129 44.5291 44.5852 44.6652 44.9931 45.0472 45.3566 45.5208 45.6790 45.7375 45.9370 46.1595 46.3081 46.4936 46.5308 46.7400 46.8898 46.9803 47.2959 47.3989 47.6220 47.7247 47.8404 47.8923 48.0710 48.3263 48.5123 48.6033 48.7501 48.9972 49.1483 49.3823 49.5508 49.6072 49.7835 50.1255 50.3414 50.5434 50.6166 50.6783 50.6884 50.7447 50.9365 51.2062 51.2823 51.4323 51.5001 51.5745 51.8212 51.9722 52.0067 52.3851 52.4176 52.4868 52.6125 52.6428 52.8538 53.0114 53.3223 53.4213 53.6125 53.7015 54.0648 54.2082 54.5381 54.7935 55.0568 55.2205 55.3728 55.4875 55.7654 56.0277 56.1847 56.4374 56.5914 56.9882 57.1431 57.2496 57.5275 57.5473 57.8285 57.9895 58.1070 58.1455 58.2202 58.3676 58.6012 58.8186 59.0095 59.0623 59.2827 59.3141 59.4238 59.4529 59.6347 60.0430 60.1137 60.2819 60.3498 60.5359 60.7372 60.8334 61.2975 61.5149 61.6420 61.6784 61.8525 62.3387 62.5406 62.8536 62.9642 62.9926 63.1265 63.2866 63.3676 63.5638 63.7221 63.8528 64.2112 64.2904 64.5437 64.7138 64.8054 65.0613 65.2214 65.5120 65.6357 65.7646 66.1100 66.2454 66.5756 66.7278 66.8241 67.1541 67.3231 67.4330 67.5885 67.6915 67.8805 68.1829 68.3012 68.5248 68.8624 69.0921 69.3369 69.5208 69.8644 70.0643 70.3813 70.7511 71.0870 71.2940 71.4573 71.5994 72.0219 72.3400 72.5028 72.6566 73.1216 73.3625 73.5942 73.6083 73.7868 74.0147 74.1623 74.3987 74.5054 74.7470 74.8877 75.1047 75.3255 75.5529 75.8898 76.1921 76.3341 76.4742 76.6821 76.7590 76.9917 77.0635 77.0921 77.4159 77.6845 77.8165 77.8386 78.0335 78.1727 78.2631 78.2949 78.4619 78.7272 78.8742 79.0561 79.1517 79.2253 79.3738 79.4723 79.6494 79.7832 79.8231 80.0334 80.1247 80.1698 80.5502 80.7772 80.7970 80.9448 81.1302 81.2266 81.4278 81.4922 81.5980 81.8076 81.8916 82.0448 82.2432 82.4053 82.4276 82.5389 82.7495 82.9055 83.0655 83.1577 83.2227 83.4518 83.5401 83.5859 83.6541 83.7703 84.1604 84.2715 84.3390 84.6061 84.7038 84.9652 85.0712 85.1180 85.3768 85.4567 85.5820 85.7229 85.7792 85.8787 85.9703 86.0098 86.1599 86.2786 86.4325 86.5484 86.6725 86.8651 86.9208 87.0156 87.0987 87.3074 87.5062 87.7141 87.9550 87.9946 88.1233 88.2457 88.3009 88.5749 88.7986 88.8682 88.9431 89.0131 89.2485 89.3363 89.3786 89.5414 89.6461 89.7692 89.8388 90.0127 90.0622 90.1182 90.2444 90.5872 90.6482 90.8070 91.0514 91.0867 91.1615 91.2490 91.5288 91.6067 91.7476 91.9215 92.0674 92.1662 92.3036 92.4890 92.6123 92.7519 92.8308 93.0698 93.1625 93.1944 93.3052 93.4086 93.5589 93.6923 93.9368 94.0170 94.1131 94.1580 94.2324 94.4105 94.5454 94.7013 94.7389 94.7962 94.9492 95.1120 95.2360 95.3349 95.5216 95.7418 95.7627 96.0483 96.2361 96.3554 96.4438 96.5012 96.8149 96.9582 97.1132 97.1660 97.2813 97.4725 97.5906 97.8298 97.9005 97.9951 98.0947 98.1980 98.3112 98.5858 98.8088 98.9167 99.0401 99.1561 99.2602 99.5159 99.6256 99.8030 100.0208 100.0872 100.2390 100.4403 100.6305 100.7368 100.9120 101.1512 101.1865 101.3783 101.7461 101.9882 102.2612 102.3665 102.6340 102.7820 102.8509 103.0574 103.1653 103.1890 103.3681 103.9126 104.0018 104.2192 104.5781 104.7401 104.8302 104.8771 105.0704 105.2357 105.3061 105.6031 105.7196 105.8071 105.9781 106.0295 106.1763 106.4350 106.5430 106.7713 106.8982 107.0565 107.0973 107.4784 107.4926 107.5335 107.7949 108.0345 108.2116 108.4303 108.5228 108.8767 108.9605 109.3496 109.4349 109.6119 109.7797 109.9132 110.0838 110.1759 110.3137 110.4588 110.5581 110.8835 110.9440 111.1373 111.3443 111.5349 111.6308 111.8288 111.9163 112.1507 112.3481 112.3708 112.5918 112.6549 112.8346 113.0216 113.1979 113.4597 113.6513 113.8330 113.9607 114.1260 114.2606 114.4534 114.6039 114.7684 114.9096 115.2314 115.4288 115.4557 115.5803 116.0941 116.2506 116.3603 116.4161 116.5568 116.7642 117.0468 117.1153 117.2608 117.3680 117.5390 117.6379 117.6911 117.8763 118.1155 118.2340 118.3749 118.4264 118.4883 118.6043 118.8653 119.0619 119.1914 119.2252 119.4168 119.4367 119.7910 119.8800 120.1033 120.3389 120.5030 120.7212 120.9532 121.1006 121.3592 121.3736 121.8757 121.9200 122.0589 122.1532 122.2722 122.4804 122.5415 122.8562 123.0288 123.5001 124.1867 124.3949 124.5548 124.6269 125.0848 125.1561 125.4058 125.7439 125.8234 125.9513 126.3240 126.6466 126.7950 126.9401 127.0512 127.1816 127.3829 127.5535 127.8320 128.2854 128.6466 128.8817 129.3006 129.4705 129.6035 129.7743 130.0048 130.3333 130.5592 130.6930 131.0226 131.2439 131.2594 131.4077 131.7095 131.7326 131.8286 132.0217 132.1935 132.2333 132.3738 132.7195 133.0577 133.2699 133.4525 133.8871 133.9718 134.5019 134.7029 135.4070 135.5467 135.6967 135.9674 136.3584 136.5103 136.8923 137.2968 137.8300 138.0059 138.3983 138.4795 138.6019 138.7878 138.8690 139.3242 139.5068 139.5894 140.0836 141.0222 141.2180 141.3338 141.3991 141.6369 141.8575 142.2101 142.5024 143.0234 143.2081 143.5208 143.7173 144.1255 144.1631 144.4291 144.5733 144.7951 145.0049 145.4782 145.7567 146.0621 146.5553 146.6424 146.7580 147.2140 147.6196 147.8691 148.0494 148.1679 148.3287 148.7985 148.9820 149.2257 149.3728 149.8166 150.2137 150.4605 150.6311 151.0410 151.4181 151.9319 152.1067 152.3725 152.8537 153.0626 153.3968 153.4920 154.2629 154.6000 154.7227 154.9038 155.5946 155.9751 156.1516 156.5392 156.7221 156.9765 157.1303 157.8882 158.6279 159.0044 159.3399 159.6970 160.0830 160.2078 160.5813 160.6065 161.2532 161.3198 161.4435 161.7175 162.1173 162.8647 163.4947 163.8964 164.7229 166.1636 167.5744 168.6282 170.4032 170.8364 172.4083 172.6809 173.2927 174.1872 176.4116 176.6362 178.0512 180.1821 180.6412 182.4311 182.6652 186.2099 186.7014 187.8738 188.7684 188.8559 189.3195 190.1652 191.1862 192.7026 193.1609 193.6719 195.5858 195.9982 196.5080 199.1849 200.1036 201.8611 205.5751 205.8433 206.5213 208.7303 212.8082 221.3334 221.6521 222.4347 222.9020 222.9577 223.5262 225.7935 225.9725 227.8901 229.2925 229.7650 235.8641 241.0642 247.8469 248.9955 294.4853 294.7551 295.7074 297.1418 308.5190 313.4032 609.2431 617.8388 621.9861 625.6253 629.6304 629.8468 631.6384 632.8413 634.1029 634.2947 635.2996 635.5091 635.7719 637.0864 637.4131 640.5604 641.8013 642.6428 648.0891 651.6450 655.7697 658.1368 702.1260 707.7173 877.3361 1200.8224 1211.5501 1214.8377 1563.0832 -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 -0.054853 -0.058696 -0.208632 -0.284205 -0.421685 -0.326870 -0.079876 0.099455 0.043555 -0.068286 -0.264056 -0.279411 -0.223105 0.383651 0.043875 0.451545 -0.050652 -0.241261 -0.207573 -0.174245 0.189691 -0.163921 0.201083 0.266351 -0.166368 -0.219918 -0.176098 -0.121127 -0.178728 0.090094 0.096811 0.113479 0.101088 0.062756 0.105249 0.093559 0.095791 0.129058 0.143735 0.193793 0.137040 0.150983 0.152269 0.144953 0.161502 0.158148 0.160053 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 17.0549 17.0587 9.2086 8.2842 8.4217 8.3269 7.0799 5.9005 5.9564 6.0683 6.2641 6.2794 6.2231 5.6163 5.9561 5.5485 6.0507 6.2413 6.2076 6.1742 5.8103 6.1639 5.7989 5.7336 6.1664 6.2199 6.1761 6.1211 6.1787 0.9099 0.9032 0.8865 0.8989 0.9372 0.8948 0.9064 0.9042 0.8709 0.8563 0.8062 0.8630 0.8490 0.8477 0.8550 0.8385 0.8419 0.8399 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 -0.0549 -0.0587 -0.2086 -0.2842 -0.4217 -0.3269 -0.0799 0.0995 0.0436 -0.0683 -0.2641 -0.2794 -0.2231 0.3837 0.0439 0.4515 -0.0507 -0.2413 -0.2076 -0.1742 0.1897 -0.1639 0.2011 0.2664 -0.1664 -0.2199 -0.1761 -0.1211 -0.1787 0.0901 0.0968 0.1135 0.1011 0.0628 0.1052 0.0936 0.0958 0.1291 0.1437 0.1938 0.1370 0.1510 0.1523 0.1450 0.1615 0.1581 0.1601 1.2714 1.2466 1.0844 2.1305 2.0725 2.0935 3.1033 3.6763 3.8816 3.8665 3.8911 3.9104 3.8996 4.1923 4.2170 3.8226 3.8002 4.0968 3.9251 3.9234 3.7249 3.8991 4.0712 3.6919 3.8317 3.9756 3.8476 3.8842 3.8539 1.0424 1.0302 1.0031 1.0124 1.0131 1.0022 1.0111 1.0065 1.0209 0.9900 0.9624 1.0117 0.9982 1.0037 1.0074 0.9906 0.9888 0.9896 1.2714 1.2466 1.0844 2.1305 2.0725 2.0935 3.1033 3.6763 3.8816 3.8665 3.8911 3.9104 3.8996 4.1923 4.2170 3.8226 3.8002 4.0968 3.9251 3.9234 3.7249 3.8991 4.0712 3.6919 3.8317 3.9756 3.8476 3.8842 3.8539 1.0424 1.0302 1.0031 1.0124 1.0131 1.0022 1.0111 1.0065 1.0209 0.9900 0.9624 1.0117 0.9982 1.0037 1.0074 0.9906 0.9888 0.9896 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 1.1880 1.1614 1.0840 1.1143 0.9014 1.8884 0.9728 0.9391 3.0460 0.9014 0.8610 0.9246 0.9482 0.9278 1.0288 0.9968 1.0476 1.0006 0.9895 0.9979 0.9982 0.9952 0.9839 0.9939 1.8589 0.9506 0.9783 0.9511 0.9286 1.3443 1.3840 1.3883 0.9337 1.4070 0.9736 1.3711 1.4333 0.9814 1.3317 1.3856 1.3938 0.9780 1.4286 0.9905 1.3763 0.9892 1.4024 0.9808 0.9898 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 -0.029205765 -2149.962806938035 -2.01161 0.79904 -1.21257 -24.08434 23.49218 -0.59215 -13.65114 11.45157 -2.19957 2.58052 6.55917