Orca 4.2.1 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 47 Cl F F F O N N N 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 H H H 1 2 2 2 3 4 4 4 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 6 6 6 378.6710095999997 AuxInfo=1/0/N:23,24,27,25,10,11,20,18,12,17,14,22,9,15,16,19,26,21,13,1,3,4,2,8,7,6,5/E:(1,2)(5,6)(21,22)/CRV:4.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,18.3,19.3,24.2,27.1/rA:48nClFFFO1NNN2CCCCC3C3C3C3CC3C3C3C3C3CCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s6;s9;s9s10;s6;s5s6;s12;s14;s13;s15;s14;s8s16;s15;s2s7s16;s1s18;s17;s17;s20s22;s3s4s19;s7;s9;s10;s10;s11;s11;s12;s12;s17;s18;s20;s23;s23;s23;s24;s24;s24;s25;s26;s27;s27;s27;/rC:5.5555,-1.411,.6443;-3.7734,-2.3129,-1.0472;-2.0454,2.4853,.4723;-.9553,1.2894,1.9277;-1.6218,.1626,-2.2295;-.1832,-.7484,-.7316;-4.431,-1.0533,.767;-4.0229,-.009,1.4798;.0272,-1.4526,.5017;-.7195,-2.7142,.7978;.7364,-2.7711,.4783;.9761,-.5339,-1.5938;-1.3993,-.3177,-1.1284;2.1544,.0647,-.8611;2.2482,1.4339,-.5701;-2.5154,-.4411,-.1505;1.2088,2.4249,-1.0497;3.1835,-.7938,-.4862;-2.8795,.367,.9449;3.3803,1.8835,.1059;-3.5633,-1.315,-.2158;4.2927,-.3136,.1862;1.0221,3.617,-.1171;1.5688,2.9036,-2.4584;4.4009,1.0294,.4934;-2.2081,1.5758,1.4751;-5.6567,-1.757,1.071;.2539,-.8214,1.3519;-1.3927,-3.1008,.0446;-1.0504,-2.8682,1.8165;1.4485,-2.9611,1.2707;1.0101,-3.1937,-.4802;.6674,.0959,-2.4251;1.2786,-1.487,-2.0333;.2447,1.9186,-1.1084;3.1179,-1.8463,-.7296;3.4873,2.934,.3421;.1827,4.2254,-.4552;.8143,3.3054,.9063;1.8958,4.2706,-.0988;.8008,3.575,-2.8472;2.5168,3.446,-2.4575;1.6673,2.0756,-3.1624;5.2648,1.4147,1.0182;-2.7755,2.0376,2.2839;-5.4524,-2.7944,1.3277;-6.1164,-1.2669,1.923;-6.3432,-1.7181,.2281; 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 Number of auxiliary basis functions 1556 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 208 Dim 1142 ENuc 2838.5270793510 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off 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 LIBINT 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 4.649e-06 Time for diagonalization 0.415 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.293 sec Total time needed 0.714 sec 17 9 9 9 8 7 7 7 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 1 1 1 378.6710095999997 AuxInfo=1/0/N:23,24,27,25,10,11,20,18,12,17,14,22,9,15,16,19,26,21,13,1,3,4,2,8,7,6,5/E:(1,2)(5,6)(21,22)/CRV:4.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,18.3,19.3,24.2,27.1/rA:48nClFFFO1NNN2CCCCC3C3C3C3CC3C3C3C3C3CCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s6;s9;s9s10;s6;s5s6;s12;s14;s13;s15;s14;s8s16;s15;s2s7s16;s1s18;s17;s17;s20s22;s3s4s19;s7;s9;s10;s10;s11;s11;s12;s12;s17;s18;s20;s23;s23;s23;s24;s24;s24;s25;s26;s27;s27;s27;/rC:5.5555,-1.411,.6443;-3.7734,-2.3129,-1.0472;-2.0454,2.4853,.4723;-.9553,1.2894,1.9277;-1.6218,.1626,-2.2295;-.1832,-.7484,-.7316;-4.431,-1.0533,.767;-4.0229,-.009,1.4798;.0272,-1.4526,.5017;-.7195,-2.7142,.7978;.7364,-2.7711,.4783;.9761,-.5339,-1.5938;-1.3993,-.3177,-1.1284;2.1544,.0647,-.8611;2.2482,1.4339,-.5701;-2.5154,-.4411,-.1505;1.2088,2.4249,-1.0497;3.1835,-.7938,-.4862;-2.8795,.367,.9449;3.3803,1.8835,.1059;-3.5633,-1.315,-.2158;4.2927,-.3136,.1862;1.0221,3.617,-.1171;1.5688,2.9036,-2.4584;4.4009,1.0294,.4934;-2.2081,1.5758,1.4751;-5.6567,-1.757,1.071;.2539,-.8214,1.3519;-1.3927,-3.1008,.0446;-1.0504,-2.8682,1.8165;1.4485,-2.9611,1.2707;1.0101,-3.1937,-.4802;.6674,.0959,-2.4251;1.2786,-1.487,-2.0333;.2447,1.9186,-1.1084;3.1179,-1.8463,-.7296;3.4873,2.934,.3421;.1827,4.2254,-.4552;.8143,3.3054,.9063;1.8958,4.2706,-.0988;.8008,3.575,-2.8472;2.5168,3.446,-2.4575;1.6673,2.0756,-3.1624;5.2648,1.4147,1.0182;-2.7755,2.0376,2.2839;-5.4524,-2.7944,1.3277;-6.1164,-1.2669,1.923;-6.3432,-1.7181,.2281; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "1-OCTANOL" 378.6710095999997 AuxInfo=1/0/N:23,24,27,25,10,11,20,18,12,17,14,22,9,15,16,19,26,21,13,1,3,4,2,8,7,6,5/E:(1,2)(5,6)(21,22)/CRV:4.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,18.3,19.3,24.2,27.1/rA:48nClFFFO1NNN2CCCCC3C3C3C3CC3C3C3C3C3CCC3CCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s6;s9;s9s10;s6;s5s6;s12;s14;s13;s15;s14;s8s16;s15;s2s7s16;s1s18;s17;s17;s20s22;s3s4s19;s7;s9;s10;s10;s11;s11;s12;s12;s17;s18;s20;s23;s23;s23;s24;s24;s24;s25;s26;s27;s27;s27;/rC:5.5555,-1.411,.6443;-3.7734,-2.3129,-1.0472;-2.0454,2.4853,.4723;-.9553,1.2894,1.9277;-1.6218,.1626,-2.2295;-.1832,-.7484,-.7316;-4.431,-1.0533,.767;-4.0229,-.009,1.4798;.0272,-1.4526,.5017;-.7195,-2.7142,.7978;.7364,-2.7711,.4783;.9761,-.5339,-1.5938;-1.3993,-.3177,-1.1284;2.1544,.0647,-.8611;2.2482,1.4339,-.5701;-2.5154,-.4411,-.1505;1.2088,2.4249,-1.0497;3.1835,-.7938,-.4862;-2.8795,.367,.9449;3.3803,1.8835,.1059;-3.5633,-1.315,-.2158;4.2927,-.3136,.1862;1.0221,3.617,-.1171;1.5688,2.9036,-2.4584;4.4009,1.0294,.4934;-2.2081,1.5758,1.4751;-5.6567,-1.757,1.071;.2539,-.8214,1.3519;-1.3927,-3.1008,.0446;-1.0504,-2.8682,1.8165;1.4485,-2.9611,1.2707;1.0101,-3.1937,-.4802;.6674,.0959,-2.4251;1.2786,-1.487,-2.0333;.2447,1.9186,-1.1084;3.1179,-1.8463,-.7296;3.4873,2.934,.3421;.1827,4.2254,-.4552;.8143,3.3054,.9063;1.8958,4.2706,-.0988;.8008,3.575,-2.8472;2.5168,3.446,-2.4575;1.6673,2.0756,-3.1624;5.2648,1.4147,1.0182;-2.7755,2.0376,2.2839;-5.4524,-2.7944,1.3277;-6.1164,-1.2669,1.923;-6.3432,-1.7181,.2281; Epsilon 9.8629 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES 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! ( 0.6s) GEPOL surface points 2055 GEPOL Volume 2887.4414 GEPOL Surface-area 1332.2506 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 1.2s -1736.00981910 2838.52707935 -4574.53689845 -8026.93500454 3452.39810609 -0.02910215 -3466.17073664 1730.16091754 2.00338055 104.000175493355 104.000175493355 208.000350986710 -140.077689200381 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.2680 -675.8630 -674.8356 -674.7969 -522.7858 -395.2155 -393.6740 -393.5612 -284.2211 -283.3036 -282.9864 -281.3546 -280.9596 -280.7953 -280.7103 -280.6411 -280.3041 -280.1518 -280.0343 -279.9270 -279.9240 -279.7667 -279.7564 -279.7268 -279.7018 -279.1326 -279.0381 -260.5680 -199.4003 -199.1732 -199.1672 -37.9045 -37.5418 -35.8738 -32.8946 -31.9864 -29.3332 -27.6445 -27.0360 -26.5389 -26.2691 -25.5127 -24.8604 -24.3617 -23.6738 -22.9399 -22.5694 -21.8935 -21.6083 -20.7699 -20.3017 -19.9840 -19.9375 -19.5889 -19.3580 -18.8594 -18.3668 -18.1019 -17.9481 -17.7210 -17.4355 -17.3274 -16.7283 -16.6038 -16.3581 -16.1891 -16.0878 -15.9012 -15.6405 -15.2300 -14.9564 -14.8947 -14.7805 -14.6508 -14.5319 -14.3761 -14.2605 -14.0521 -14.0310 -13.9628 -13.7463 -13.6837 -13.4790 -13.3361 -13.2192 -12.9619 -12.7658 -12.5309 -12.4292 -12.3524 -11.9414 -11.5148 -11.4754 -11.4018 -11.3235 -11.2862 -11.1256 -10.9972 -10.4380 -9.8384 -9.5322 -9.4369 -9.2721 -8.7885 1.3424 1.5341 2.0139 2.1987 3.0139 3.1292 3.3116 3.4480 3.6933 3.8790 4.1933 4.4052 4.4923 4.6606 4.7291 4.8036 4.9763 5.0899 5.2219 5.2412 5.2885 5.3253 5.4994 5.5777 5.6306 5.7928 5.8876 5.9623 6.0140 6.1264 6.1867 6.3656 6.5535 6.7985 6.9380 6.9860 7.0660 7.1678 7.2861 7.3664 7.4778 7.8108 7.9054 7.9854 8.1383 8.2887 8.3104 8.4139 8.5365 8.5652 8.7174 8.8029 8.8826 9.0283 9.0685 9.2475 9.2719 9.4784 9.5526 9.6949 9.7919 9.9355 10.0244 10.0604 10.0844 10.3608 10.4944 10.5769 10.6442 10.7232 10.8317 11.0492 11.0796 11.2250 11.2545 11.5767 11.6651 11.7320 11.8346 11.9129 12.0975 12.2054 12.2431 12.3483 12.4291 12.5598 12.6162 12.7016 12.7736 12.8113 13.1573 13.1977 13.2367 13.3007 13.4425 13.5306 13.6739 13.8121 13.8217 13.9590 14.0327 14.0848 14.1751 14.3648 14.4812 14.5149 14.5562 14.7199 14.7884 14.8505 14.8872 15.0246 15.1047 15.1597 15.3609 15.4322 15.4953 15.5750 15.8222 15.8603 15.9363 16.1498 16.2275 16.2571 16.3105 16.4530 16.5623 16.6707 16.9252 16.9906 17.0912 17.1358 17.2122 17.3463 17.5139 17.6051 17.6239 17.8536 17.9710 18.0821 18.2186 18.2531 18.3794 18.5291 18.6826 18.8397 18.9485 19.2499 19.3720 19.4945 19.5473 19.7133 20.0237 20.0908 20.1809 20.3039 20.4724 20.5511 20.6505 20.7795 20.8863 21.0633 21.1960 21.3566 21.4980 21.6634 21.8286 21.9668 22.1028 22.1876 22.3422 22.7244 22.8570 22.9885 23.0550 23.0683 23.2434 23.4732 23.5336 23.9066 23.9717 24.2357 24.3491 24.4470 24.5209 24.7352 25.1292 25.2082 25.3492 25.4285 25.5339 25.6933 25.8332 25.9207 26.0970 26.1702 26.3189 26.4321 26.5311 26.6519 26.8228 26.9780 27.0392 27.2261 27.3707 27.5066 27.6326 27.9033 27.9517 28.0500 28.2009 28.2612 28.4947 28.5932 28.7047 28.8488 28.9432 29.1314 29.1418 29.3174 29.4070 29.5199 29.8235 29.9136 30.1311 30.1801 30.2337 30.5873 30.6552 30.6984 30.9850 31.1381 31.2505 31.3942 31.5396 31.6805 31.7655 32.0103 32.0432 32.0952 32.4575 32.4988 32.6789 32.8465 33.0910 33.1365 33.2231 33.3396 33.4808 33.6209 33.7111 33.8376 34.0578 34.1156 34.3243 34.4542 34.6191 34.7244 34.9497 35.0106 35.2162 35.3057 35.3879 35.4698 35.7811 35.8997 35.9910 36.1388 36.2705 36.4709 36.4996 36.8703 36.9216 36.9969 37.2583 37.5392 37.5637 37.5916 37.7222 37.7867 37.9479 38.1959 38.2837 38.3328 38.3687 38.6624 38.9142 39.1535 39.2780 39.5256 39.6879 39.7616 39.8955 40.1362 40.2390 40.3593 40.6276 40.7892 40.8986 41.0256 41.1358 41.2429 41.3513 41.4595 41.5286 41.6222 41.7804 42.0867 42.2149 42.3072 42.4467 42.5865 42.7838 42.8919 42.9258 43.1738 43.2426 43.3287 43.5868 43.6195 43.7146 43.9413 44.0484 44.1762 44.2925 44.5735 44.6897 44.8809 45.0647 45.2330 45.3027 45.3858 45.5217 45.7602 45.8335 46.0337 46.0714 46.3580 46.4662 46.5599 46.7653 46.9268 47.0818 47.2078 47.2688 47.3300 47.5827 47.7521 47.8604 47.9544 48.1187 48.4845 48.5434 48.7515 48.9089 49.1098 49.3041 49.5342 49.7613 49.9190 50.1428 50.1544 50.3868 50.5598 50.5998 50.7265 51.1883 51.3802 51.6535 51.6740 51.8937 52.0613 52.2152 52.4984 52.6557 52.9224 53.0353 53.4003 53.4803 53.7401 54.2380 54.4358 54.6671 54.7892 55.0227 55.3119 55.5473 55.6636 55.8461 56.1829 56.3046 56.4680 56.7295 56.9090 56.9841 57.2997 57.4917 57.7541 58.0302 58.1972 58.3631 58.6184 58.9177 59.2499 59.3785 59.5705 59.6233 59.7401 59.8442 60.0184 60.2446 60.3853 60.5355 60.8230 61.0468 61.2492 61.4911 61.7831 62.1240 62.3656 62.4942 62.6256 62.8186 63.0333 63.2381 63.4324 63.8428 64.0464 64.2594 64.5986 64.6414 64.7662 65.1941 65.3192 65.4954 65.6590 65.7339 65.8881 66.0340 66.2108 66.3348 66.4865 66.7528 66.9396 67.2365 67.5811 67.6672 67.8474 68.1553 68.3802 68.6856 68.9458 69.1898 69.3770 69.6533 69.8920 70.0229 70.0763 70.2318 70.4565 70.7038 70.8871 71.2505 71.3835 71.6091 71.9943 72.1624 72.3810 72.5403 72.7153 72.8978 73.0725 73.3737 73.5322 73.7723 74.1517 74.2453 74.6146 74.8115 75.0054 75.1800 75.6114 76.0639 76.1802 76.6129 76.7770 77.0300 77.1188 77.3667 77.3992 77.7017 77.8969 78.2156 78.2922 78.3283 78.5200 78.7419 78.8502 79.0547 79.2240 79.3238 79.4389 79.6366 79.7528 79.9348 80.0568 80.1019 80.1928 80.2734 80.4095 80.5811 80.7030 80.7422 81.0553 81.1113 81.2097 81.3737 81.5599 81.6880 81.8526 82.0953 82.1797 82.2399 82.3620 82.4047 82.6417 82.8174 82.9549 83.1375 83.2318 83.3007 83.6223 83.7023 83.7971 83.9769 84.1759 84.3676 84.5245 84.5864 84.7285 84.9151 85.0991 85.1406 85.2466 85.5476 85.6203 85.7001 85.8342 85.9336 85.9723 86.1796 86.3064 86.5218 86.7233 86.7299 86.8814 86.9089 87.0677 87.5386 87.5738 87.6636 87.7440 87.8053 87.9536 88.0288 88.1836 88.3298 88.5383 88.6382 88.7990 88.9316 89.2040 89.3388 89.4420 89.7611 89.8425 89.9334 90.0805 90.1466 90.3230 90.4434 90.6508 90.7331 90.7826 90.8353 90.9170 91.2389 91.2485 91.6548 91.7253 91.9027 92.0586 92.4460 92.5158 92.5983 92.6939 92.7804 92.8319 93.0071 93.0943 93.2612 93.3789 93.4754 93.5686 93.6632 93.7404 93.9212 94.0037 94.1659 94.4789 94.5952 94.8850 94.9149 95.0724 95.2141 95.4044 95.6238 95.7002 95.8651 96.0958 96.2814 96.3809 96.4450 96.6368 96.8092 96.8260 97.0320 97.1854 97.2960 97.4416 97.4732 97.6018 97.8743 97.9783 98.0577 98.1342 98.1964 98.3101 98.5057 98.7819 98.8698 99.0973 99.2504 99.3190 99.6261 99.6740 99.8273 99.8697 100.2015 100.2831 100.5243 100.6795 100.9154 100.9789 101.0193 101.1945 101.5915 101.7672 101.8926 102.0310 102.0422 102.2619 102.3510 102.5476 102.5948 102.8869 103.0828 103.3947 103.5472 103.6335 103.9324 104.0934 104.2781 104.4441 104.5145 104.7249 104.8861 105.0696 105.0778 105.5352 105.7004 105.9100 105.9579 106.0905 106.1661 106.5307 106.7246 106.9908 107.0866 107.1601 107.2195 107.4818 107.5670 107.7995 108.0742 108.0881 108.2369 108.4026 108.6718 108.7474 108.8598 108.9733 109.0943 109.2432 109.4631 109.6108 109.8186 109.9178 110.0443 110.3332 110.4925 110.6365 110.6978 110.7612 111.0201 111.1860 111.3111 111.3650 111.5589 111.6810 111.7889 111.9930 112.2471 112.4640 112.5097 112.6717 113.0277 113.1193 113.1685 113.4025 113.4656 113.6355 113.7941 113.9227 113.9992 114.1117 114.1845 114.4414 114.6125 114.8610 115.1517 115.3204 115.3924 115.6197 115.7011 115.9847 116.0603 116.1373 116.5228 116.6206 116.7619 116.7878 116.9688 117.1608 117.2926 117.4175 117.5122 117.8657 117.9893 118.2732 118.3623 118.4787 118.7135 118.8424 118.8777 118.9580 119.1381 119.1701 119.3018 119.3850 119.6454 119.9109 119.9563 120.2487 120.3827 120.5537 120.6456 120.8001 120.9251 121.0764 121.1075 121.5528 121.7770 121.8740 122.0493 122.3445 122.7313 122.7699 122.9753 123.1922 123.2375 123.6562 123.9648 124.1411 124.6422 124.7230 125.0604 125.2013 125.5778 126.0784 126.2352 126.3802 126.6336 126.6821 127.3347 127.4717 127.5823 127.9155 128.2728 128.5108 128.8438 129.1369 129.4059 129.5566 129.7995 129.9802 130.2687 130.4312 130.5671 130.8472 131.2361 131.4737 131.6027 132.0253 132.1040 132.2473 132.4851 132.7081 132.9066 133.2457 133.4707 133.7051 134.0738 134.1250 134.2573 134.4732 134.7696 134.8275 134.9321 135.1926 135.4650 135.6861 135.9775 136.1610 136.2689 136.6096 137.0240 137.3090 137.3807 137.6172 138.0185 138.1692 138.5210 138.7429 138.9999 139.3266 139.7074 140.0182 140.4040 140.5747 140.8684 141.0762 141.2352 141.6098 141.9638 142.0690 142.2503 142.3548 142.6060 142.9130 143.0083 143.3736 143.8699 144.1505 144.3991 144.5130 144.7965 144.8862 145.0273 145.2687 145.8451 146.0489 146.1595 146.2856 146.6062 147.0217 147.0515 147.1677 147.3033 147.4437 147.5430 147.6399 147.9458 148.0376 148.2220 148.3403 148.6530 148.7666 149.4399 149.7459 149.8371 150.0983 150.3152 150.3654 150.5361 150.8098 151.1668 151.2691 151.8571 152.0193 152.1729 152.3498 152.6123 152.8328 153.0450 153.2992 153.7597 153.9038 154.2637 154.6921 155.0019 155.0344 155.4849 155.6768 155.9886 156.0069 156.1910 156.6837 157.2995 157.7770 158.0291 158.1403 158.3816 158.4863 158.5800 158.9611 159.1055 159.4385 159.5348 159.7826 159.8929 160.4678 160.8096 161.3648 161.8521 162.2778 162.5249 163.3097 164.3829 166.3159 167.2906 167.7638 168.1876 169.0627 170.9299 171.5099 173.5332 175.6826 176.4395 177.8755 178.9859 183.8921 187.3754 188.6910 188.8866 189.2501 189.3925 189.5001 189.8187 190.1096 190.3646 190.8157 192.7957 192.8808 194.7551 195.4969 196.2454 196.4498 196.5376 197.1734 201.3474 201.4614 201.7231 203.0542 204.0264 206.8717 207.1882 212.8237 221.7518 223.1684 223.5847 227.5526 228.8592 228.9865 229.6798 231.0105 232.8002 233.2827 235.9640 239.7891 241.2265 244.0209 246.1788 246.7816 247.3412 248.0154 249.3942 250.2315 294.9387 297.6498 312.6895 616.6097 626.1264 627.8628 629.2818 634.5915 636.1351 636.9927 637.2003 638.6460 639.2940 639.9596 642.9101 644.6587 646.5764 646.7842 647.2185 648.3528 649.9397 656.0489 713.2332 883.1662 900.1334 905.4152 1201.6979 1557.8966 1563.9466 1567.9257 -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 47 Cl F F F O N N N 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 H H H -0.102568 -0.183458 -0.222294 -0.223020 -0.480612 -0.017272 0.097867 -0.285817 -0.069949 -0.154997 -0.173590 -0.109129 0.244142 -0.026891 -0.020875 -0.135755 0.058688 -0.107317 0.018037 -0.156699 0.287192 0.079513 -0.308319 -0.288708 -0.181857 0.342510 -0.165990 0.103095 0.097290 0.097383 0.103094 0.104347 0.129942 0.129097 0.025170 0.121577 0.145927 0.100201 0.102277 0.092662 0.099732 0.094957 0.091808 0.141633 0.131402 0.130591 0.114373 0.130607 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 Cl F F F O N N N 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 H H H 17.1026 9.1835 9.2223 9.2230 8.4806 7.0173 6.9021 7.2858 6.0699 6.1550 6.1736 6.1091 5.7559 6.0269 6.0209 6.1358 5.9413 6.1073 5.9820 6.1567 5.7128 5.9205 6.3083 6.2887 6.1819 5.6575 6.1660 0.8969 0.9027 0.9026 0.8969 0.8957 0.8701 0.8709 0.9748 0.8784 0.8541 0.8998 0.8977 0.9073 0.9003 0.9050 0.9082 0.8584 0.8686 0.8694 0.8856 0.8694 17.0000 9.0000 9.0000 9.0000 8.0000 7.0000 7.0000 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 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 1.0000 1.0000 1.0000 -0.1026 -0.1835 -0.2223 -0.2230 -0.4806 -0.0173 0.0979 -0.2858 -0.0699 -0.1550 -0.1736 -0.1091 0.2441 -0.0269 -0.0209 -0.1358 0.0587 -0.1073 0.0180 -0.1567 0.2872 0.0795 -0.3083 -0.2887 -0.1819 0.3425 -0.1660 0.1031 0.0973 0.0974 0.1031 0.1043 0.1299 0.1291 0.0252 0.1216 0.1459 0.1002 0.1023 0.0927 0.0997 0.0950 0.0918 0.1416 0.1314 0.1306 0.1144 0.1306 1.2060 1.1305 1.0604 1.0592 2.0125 3.0554 3.3409 2.9748 3.7955 3.9085 3.9129 3.7963 4.2046 3.5724 3.6969 3.6056 3.8611 3.9703 4.0613 3.9196 4.1379 3.8636 3.9135 3.9276 4.0529 4.1147 3.8796 1.0223 1.0185 1.0244 1.0160 1.0151 1.0393 0.9979 1.0229 1.0157 0.9948 1.0046 1.0129 1.0052 1.0028 1.0024 1.0041 1.0064 0.9885 0.9870 1.0079 0.9870 1.2060 1.1305 1.0604 1.0592 2.0125 3.0554 3.3409 2.9748 3.7955 3.9085 3.9129 3.7963 4.2046 3.5724 3.6969 3.6056 3.8611 3.9703 4.0613 3.9196 4.1379 3.8636 3.9135 3.9276 4.0529 4.1147 3.8796 1.0223 1.0185 1.0244 1.0160 1.0151 1.0393 0.9979 1.0229 1.0157 0.9948 1.0046 1.0129 1.0052 1.0028 1.0024 1.0041 1.0064 0.9885 0.9870 1.0079 0.9870 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.9837 1.1111 1.0294 1.0231 1.8918 0.9197 0.8418 1.2928 1.0800 1.3231 0.8983 1.6898 0.1083 0.8925 0.9207 1.0049 0.9559 1.0145 1.0094 1.0112 1.0096 0.8397 1.0248 1.0306 0.9039 1.2889 1.3913 0.9756 1.3691 1.2614 1.5042 0.9279 0.9497 1.0115 1.4041 0.9651 1.0166 1.4592 0.9768 1.3873 0.9942 1.0024 0.9863 0.9941 0.9874 0.9853 0.9807 0.9742 0.9726 0.9754 0.9725 0 21 1 20 2 25 3 25 4 12 5 8 5 11 5 12 6 7 6 20 6 26 7 18 7 20 8 9 8 10 8 27 9 10 9 28 9 29 10 30 10 31 11 13 11 32 11 33 12 15 13 14 13 17 14 16 14 19 15 18 15 20 16 22 16 23 16 34 17 21 17 35 18 25 19 24 19 36 21 24 22 37 22 38 22 39 23 40 23 41 23 42 24 43 25 44 26 45 26 46 26 47 -0.029598178 -1736.039417280711 0.25169 -1.53351 -1.28182 7.44211 -8.78182 -1.33971 -5.21828 6.55549 1.33721 2.28605 5.81068