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:-2.5998,.9669,-2.1747;-5.3689,.6217,-1.4213;4.9316,-3.1388,1.367;.8716,1.3599,.1829;.4209,3.3788,-.6535;2.5211,-3.4545,.3382;2.0918,1.403,-2.9867;-1.9161,3.2247,1.4992;-2.4342,2.9912,.1231;-1.2449,2.1909,.6026;-2.6703,2.6489,2.6722;-1.2322,4.5328,1.8052;-3.713,2.2916,-.1309;.0659,2.4158,-.0229;-3.8727,1.4101,-1.1074;2.1764,1.4085,-.3702;2.922,.1861,.102;2.1061,1.4224,-1.8384;2.3326,-1.0686,-.0179;4.1907,.3174,.6429;3.0068,-2.1919,.4282;4.8839,-.8093,1.065;4.2847,-2.0435,.9596;1.179,-3.6882,.5071;.4434,-3.0721,1.5117;.5933,-4.617,-.3389;-.9007,-3.3863,1.6505;-.7489,-4.931,-.1784;-1.5024,-4.3128,.8093;-2.1924,3.7646,-.6022;-1.4354,1.1605,.8805;-2,2.4975,3.5197;-3.4596,3.3314,2.9935;-3.1328,1.688,2.4439;-.4733,4.4055,2.5791;-.7566,4.9826,.9361;-1.9664,5.2487,2.1797;-4.5702,2.5265,.4899;2.7058,2.3141,-.0569;1.3484,-1.1744,-.4588;4.6477,1.2937,.7382;5.8758,-.7247,1.4891;.9045,-2.3584,2.1829;1.1843,-5.0908,-1.1125;-1.4778,-2.9047,2.4292;-1.2061,-5.6576,-.8374;-2.5509,-4.5532,.9258; 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 2985.4740287460 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 8.253e-06 Time for diagonalization 0.454 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.429 sec Total time needed 0.899 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:-2.5998,.9669,-2.1747;-5.3689,.6217,-1.4213;4.9316,-3.1388,1.367;.8716,1.3599,.1829;.4209,3.3788,-.6535;2.5211,-3.4545,.3382;2.0918,1.403,-2.9867;-1.9161,3.2247,1.4992;-2.4342,2.9912,.1231;-1.2449,2.1909,.6026;-2.6703,2.6489,2.6722;-1.2322,4.5328,1.8052;-3.713,2.2916,-.1309;.0659,2.4158,-.0229;-3.8727,1.4101,-1.1074;2.1764,1.4085,-.3702;2.922,.1861,.102;2.1061,1.4224,-1.8384;2.3326,-1.0686,-.0179;4.1907,.3174,.6429;3.0068,-2.1919,.4282;4.8839,-.8093,1.065;4.2847,-2.0435,.9596;1.179,-3.6882,.5071;.4434,-3.0721,1.5117;.5933,-4.617,-.3389;-.9007,-3.3863,1.6505;-.7489,-4.931,-.1784;-1.5024,-4.3128,.8093;-2.1924,3.7646,-.6022;-1.4354,1.1605,.8805;-2,2.4975,3.5197;-3.4596,3.3314,2.9935;-3.1328,1.688,2.4439;-.4733,4.4055,2.5791;-.7566,4.9826,.9361;-1.9664,5.2487,2.1797;-4.5702,2.5265,.4899;2.7058,2.3141,-.0569;1.3484,-1.1744,-.4588;4.6477,1.2937,.7382;5.8758,-.7247,1.4891;.9045,-2.3584,2.1829;1.1843,-5.0908,-1.1125;-1.4778,-2.9047,2.4292;-1.2061,-5.6576,-.8374;-2.5509,-4.5532,.9258; 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:-2.5998,.9669,-2.1747;-5.3689,.6217,-1.4213;4.9316,-3.1388,1.367;.8716,1.3599,.1829;.4209,3.3788,-.6535;2.5211,-3.4545,.3382;2.0918,1.403,-2.9867;-1.9161,3.2247,1.4992;-2.4342,2.9912,.1231;-1.2449,2.1909,.6026;-2.6703,2.6489,2.6722;-1.2322,4.5328,1.8052;-3.713,2.2916,-.1309;.0659,2.4158,-.0229;-3.8727,1.4101,-1.1074;2.1764,1.4085,-.3702;2.922,.1861,.102;2.1061,1.4224,-1.8384;2.3326,-1.0686,-.0179;4.1907,.3174,.6429;3.0068,-2.1919,.4282;4.8839,-.8093,1.065;4.2847,-2.0435,.9596;1.179,-3.6882,.5071;.4434,-3.0721,1.5117;.5933,-4.617,-.3389;-.9007,-3.3863,1.6505;-.7489,-4.931,-.1784;-1.5024,-4.3128,.8093;-2.1924,3.7646,-.6022;-1.4354,1.1605,.8805;-2,2.4975,3.5197;-3.4596,3.3314,2.9935;-3.1328,1.688,2.4439;-.4733,4.4055,2.5791;-.7566,4.9826,.9361;-1.9664,5.2487,2.1797;-4.5702,2.5265,.4899;2.7058,2.3141,-.0569;1.3484,-1.1744,-.4588;4.6477,1.2937,.7382;5.8758,-.7247,1.4891;.9045,-2.3584,2.1829;1.1843,-5.0908,-1.1125;-1.4778,-2.9047,2.4292;-1.2061,-5.6576,-.8374;-2.5509,-4.5532,.9258; 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 2777 GEPOL Volume 3013.2905 GEPOL Surface-area 1669.0992 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -2149.93744856 2985.47402875 -5135.41147731 -8884.49337720 3749.08189990 -0.03441169 -4293.41448847 2143.47703991 2.00301399 111.999930932193 111.999930932193 223.999861864386 -159.161453542208 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 -2765.6913 -2765.6709 -675.0914 -525.2483 -524.8488 -523.4162 -392.8633 -283.6986 -282.8761 -282.8595 -282.3178 -281.9299 -281.6223 -281.2099 -280.6158 -280.5763 -280.3460 -280.3323 -280.2646 -280.2325 -280.1674 -280.1501 -279.8750 -279.8545 -279.8399 -279.7834 -279.6845 -279.3426 -279.2710 -260.9589 -260.9389 -199.7996 -199.7820 -199.5578 -199.5454 -199.5325 -199.5281 -37.0168 -34.1944 -33.2111 -31.5709 -28.5008 -28.4076 -27.6303 -27.4097 -26.7505 -26.0539 -25.5076 -24.4071 -24.0834 -23.7429 -23.6862 -23.2789 -22.8822 -21.9829 -21.3774 -20.9377 -20.2295 -19.7943 -19.6385 -19.2586 -18.5368 -18.2548 -18.0339 -17.8185 -17.7178 -17.1792 -16.7304 -16.7090 -16.4034 -16.2705 -16.0836 -15.9352 -15.7391 -15.5985 -15.3661 -15.0117 -14.9337 -14.7628 -14.6248 -14.3681 -14.3290 -14.1168 -14.0302 -13.8901 -13.8078 -13.6633 -13.5796 -13.3689 -13.1899 -12.9920 -12.8894 -12.8405 -12.7143 -12.6172 -12.4094 -12.2284 -12.1786 -12.0168 -12.0031 -11.8260 -11.7769 -11.7264 -11.2637 -10.8849 -10.6565 -10.3331 -9.7930 -9.4865 -9.4186 -9.2269 -8.5981 0.9787 1.2936 1.3604 1.6407 1.9321 2.0739 2.4159 2.5707 2.9812 3.1201 3.5181 3.6638 3.7164 3.7938 4.0288 4.3235 4.4337 4.5004 4.5533 4.6807 4.9319 5.0236 5.0596 5.2041 5.3581 5.4861 5.5668 5.8091 5.8812 5.9715 6.0727 6.1656 6.2916 6.4289 6.5028 6.6635 6.6901 6.7883 6.9090 6.9388 7.1423 7.2442 7.3606 7.5506 7.6440 7.7254 7.7664 7.9010 7.9571 8.0672 8.1591 8.2841 8.3957 8.4620 8.5228 8.5895 8.6457 8.7220 8.8301 8.9061 9.0431 9.2437 9.3199 9.3856 9.5205 9.5497 9.7693 9.8338 10.0305 10.0760 10.1219 10.1908 10.2951 10.3979 10.5043 10.6854 10.7029 10.7910 10.8385 10.9627 11.0476 11.1309 11.3131 11.4115 11.4826 11.5387 11.5753 11.6900 11.7626 11.8610 11.9381 12.0543 12.1419 12.2544 12.3368 12.4191 12.5379 12.6589 12.6971 12.8258 12.8591 12.9331 13.0145 13.0941 13.2032 13.3399 13.3881 13.5114 13.5754 13.6910 13.8504 13.8920 13.9502 14.0941 14.1330 14.2075 14.2400 14.3653 14.4969 14.6132 14.6371 14.7478 14.7723 14.9954 15.0091 15.1502 15.2400 15.3217 15.3734 15.4572 15.5639 15.6015 15.7249 15.8448 15.8792 15.8996 16.1061 16.1834 16.2685 16.2929 16.3897 16.4434 16.5219 16.6772 16.8410 16.9610 16.9828 17.0905 17.2569 17.4979 17.5923 17.7024 17.7848 17.9605 18.1295 18.2580 18.3649 18.5778 18.7229 18.8161 19.0382 19.2481 19.3892 19.5298 19.6542 19.7022 19.8640 19.9476 20.1652 20.2613 20.3269 20.4251 20.4800 20.6562 20.6662 20.8682 20.9229 21.0463 21.2349 21.3426 21.3588 21.4921 21.6102 21.8201 21.8596 21.9590 22.0634 22.3301 22.5697 22.6178 22.8068 23.0483 23.0920 23.2339 23.3306 23.4260 23.5375 23.5972 23.6485 23.9559 24.3034 24.4077 24.5383 24.6355 24.7198 24.8737 25.1037 25.2683 25.3264 25.3978 25.6483 25.7037 26.0626 26.2690 26.3953 26.4728 26.5553 26.8366 26.9580 27.0642 27.1590 27.2902 27.3563 27.5410 27.7376 27.8623 27.9048 28.1201 28.2377 28.2955 28.4182 28.6183 28.8327 29.0554 29.1266 29.2032 29.2509 29.4264 29.5113 29.6249 29.6650 29.7862 29.9358 30.0659 30.1075 30.3587 30.4424 30.6014 30.6071 30.7832 30.9770 31.1807 31.3790 31.5002 31.5591 31.8446 31.9932 32.0429 32.2328 32.4945 32.5569 32.6415 32.7124 32.7629 32.8952 33.1229 33.2180 33.2770 33.3931 33.6350 33.7706 33.9607 34.0362 34.2407 34.3246 34.3797 34.5937 34.7538 35.0530 35.1032 35.1927 35.3753 35.5426 35.6480 35.8342 36.0284 36.1568 36.3424 36.4778 36.6450 36.7682 36.9679 36.9992 37.2440 37.2854 37.4140 37.5806 37.6529 37.8254 37.8607 38.0220 38.1684 38.2201 38.4812 38.5110 38.6330 38.6768 38.8437 38.9735 39.0239 39.0961 39.2714 39.3510 39.3950 39.6359 39.7543 40.1909 40.2186 40.3629 40.4246 40.6346 40.7654 41.0354 41.2075 41.3263 41.5751 41.7288 41.9272 42.0648 42.1498 42.2481 42.3384 42.5219 42.5928 42.8291 42.9271 42.9510 43.0520 43.2890 43.3945 43.4931 43.5852 43.7183 43.9723 43.9930 44.1728 44.2955 44.4322 44.5531 44.5970 44.7479 44.9163 45.0813 45.1966 45.3284 45.4389 45.6860 45.9585 46.0233 46.1225 46.3064 46.4341 46.5796 46.7749 46.8776 47.0309 47.2248 47.3238 47.5155 47.6746 47.8657 48.0185 48.1842 48.3142 48.4247 48.8668 48.9179 49.1122 49.3572 49.5098 49.6929 49.8332 49.9311 50.1581 50.2005 50.4350 50.6927 50.8167 50.9731 51.0082 51.3087 51.3340 51.4279 51.8092 51.9473 52.0333 52.1319 52.2672 52.3574 52.6257 52.7903 52.8391 52.8779 53.0908 53.2163 53.3106 53.8426 54.0531 54.2117 54.5733 54.6500 54.8061 55.1766 55.5265 55.5375 55.7665 55.8954 56.1281 56.1660 56.4524 56.4994 56.7121 56.9339 57.1075 57.2513 57.4107 57.5697 57.6790 58.0572 58.2165 58.4208 58.5434 58.8650 58.9993 59.0591 59.2033 59.3607 59.4671 59.7506 59.8434 60.0258 60.0611 60.2628 60.3815 60.6968 60.9795 61.0368 61.5959 61.7034 61.8234 62.1655 62.4776 62.5431 62.7217 62.9201 63.0087 63.1185 63.3036 63.5703 63.7081 63.8466 64.1091 64.2711 64.4063 64.4665 64.7292 64.9328 65.0931 65.1247 65.3210 65.6125 65.9174 65.9721 66.1734 66.4594 66.8378 66.9701 67.1281 67.1914 67.3189 67.4417 67.5766 67.6192 67.9097 68.2986 68.3604 68.5879 68.8111 69.0595 69.1220 69.2925 69.7219 70.0113 70.4885 71.0349 71.1744 71.2710 71.3596 71.4704 71.9652 72.1887 72.4347 72.5313 72.6426 73.1418 73.4226 73.5425 73.9036 73.9932 74.2131 74.6676 74.7923 74.8758 75.0342 75.2685 75.6248 75.9900 76.0952 76.1754 76.3847 76.4349 76.6157 76.7560 77.0080 77.1197 77.3781 77.4902 77.6781 77.7542 77.8847 77.9930 78.2506 78.3872 78.4282 78.6711 78.8335 78.9582 79.1101 79.2250 79.2861 79.3781 79.4218 79.6410 79.7793 79.9013 80.1164 80.2426 80.3579 80.5987 80.6270 80.7923 80.9510 81.0893 81.3282 81.3726 81.7871 81.8550 81.9288 82.0368 82.1401 82.2075 82.3686 82.4479 82.6059 82.6597 82.7448 82.9201 83.1073 83.1570 83.2867 83.3291 83.5177 83.5594 83.7677 84.1085 84.2019 84.3426 84.5972 84.6432 84.7351 84.9178 85.0957 85.2005 85.3099 85.3332 85.3971 85.5602 85.6902 85.8518 85.9928 86.1159 86.1846 86.2537 86.3378 86.4225 86.6341 86.7203 86.9142 87.2434 87.2803 87.5507 87.7068 87.9398 88.0214 88.0830 88.3163 88.4952 88.6032 88.7552 88.8832 88.9375 88.9505 89.0844 89.2019 89.3166 89.3623 89.4467 89.5062 89.6048 89.6835 89.8851 90.0884 90.1562 90.4329 90.5413 90.7314 90.8628 90.9816 91.0575 91.1788 91.3557 91.4862 91.6245 91.8390 91.9239 92.0231 92.2652 92.3495 92.4497 92.6673 92.8159 92.8792 93.0072 93.1408 93.2272 93.3465 93.4429 93.5521 93.6865 93.7008 93.8695 93.9756 94.1283 94.2260 94.3702 94.6013 94.7749 94.9738 95.0802 95.1690 95.3986 95.5273 95.6931 95.7489 95.9884 96.0430 96.1569 96.2268 96.4341 96.5994 96.7376 96.9307 97.0534 97.1287 97.2105 97.5245 97.5740 97.6895 97.6973 97.8407 98.0257 98.1109 98.2806 98.5026 98.6981 98.7664 98.8968 99.0509 99.1411 99.2848 99.4272 99.5820 99.7770 100.0253 100.1407 100.3593 100.5556 100.6560 100.7768 101.0202 101.3001 101.4843 101.6790 101.9765 102.0990 102.3168 102.4459 102.6436 102.8556 102.9632 103.2866 103.4800 103.7009 103.9457 104.0907 104.4340 104.4494 104.6963 104.7285 104.9565 105.1725 105.3904 105.5074 105.5587 105.6208 105.7035 105.9844 106.1047 106.1513 106.3266 106.4614 106.4828 106.6485 106.9558 107.2663 107.3493 107.5495 107.5909 107.8926 107.9514 108.1906 108.3024 108.5206 108.6693 108.9136 109.2287 109.2937 109.4666 109.7010 109.9107 109.9619 110.1437 110.3927 110.4923 110.7394 110.7791 111.0893 111.1789 111.3763 111.3926 111.6464 111.8402 111.8684 112.0714 112.4367 112.5283 112.6500 112.8207 113.0003 113.1546 113.3709 113.4393 113.6002 113.8135 113.9504 114.0240 114.2786 114.5775 114.6692 114.7855 114.9049 115.0908 115.3197 115.4827 115.5448 115.7226 115.8853 116.0512 116.3413 116.4773 116.6955 116.9207 117.0038 117.0406 117.0936 117.1392 117.3265 117.4916 117.6896 117.8052 117.9444 118.0055 118.1468 118.4014 118.4061 118.7024 118.9794 119.0742 119.2112 119.3291 119.5343 119.6516 119.7904 120.1016 120.1728 120.2617 120.4375 120.4947 120.6646 120.8788 121.3632 121.5560 121.6444 121.8018 121.9920 122.2752 122.5513 122.7321 123.3291 123.5212 123.6428 123.8940 123.9816 124.2826 124.8869 124.9452 125.3874 125.8451 125.9905 126.1483 126.2741 126.4253 126.5510 126.6824 126.9805 127.3016 127.6628 127.8600 127.9931 128.4753 128.5877 128.8199 128.9391 129.2231 129.3371 129.4533 129.7410 130.1438 130.3356 130.5283 130.5474 130.7450 130.9142 131.3348 131.4788 131.7256 131.7418 131.9511 132.0483 132.4412 132.7337 132.8773 133.1167 133.4128 133.8783 134.0207 134.1531 134.2576 134.8333 135.0446 135.3054 135.3792 135.7450 136.0681 136.0946 136.5367 137.4543 137.6532 137.8838 138.0434 138.3548 138.4710 138.8331 138.9582 139.4971 139.7307 139.8451 140.3514 140.5944 141.2250 141.4383 141.8967 142.0545 142.3779 142.4567 142.6539 143.1018 143.5289 143.8412 144.1673 144.2411 144.3689 144.4055 144.5198 144.6484 144.9913 145.5348 145.8784 146.1028 146.2002 146.3875 146.7584 147.2710 147.6554 147.8804 148.0313 148.1862 148.5361 148.7642 149.0036 149.2912 149.5753 149.6572 150.0578 150.2208 150.5005 150.7010 150.8124 151.3593 151.5553 151.8674 152.1440 152.3721 152.7175 153.2111 153.7027 153.8922 154.1168 154.7117 155.0805 155.3256 155.7039 156.3870 156.6263 156.6781 157.0961 157.6624 158.1732 158.3214 158.7962 159.3879 159.5849 159.8019 160.0620 160.2031 160.5293 161.1248 161.5608 161.6141 162.0256 162.4682 163.1017 164.8172 166.4590 168.0476 168.3528 170.1543 170.7357 171.4987 172.4661 172.8790 173.9006 175.2870 176.6601 177.8527 178.5118 180.2030 182.1965 182.6257 185.8310 186.5512 186.9861 188.7788 188.9700 189.2842 190.0945 190.9783 192.3903 192.6785 193.4942 195.2051 195.9493 196.1294 198.8656 200.0393 201.7516 205.4242 205.6767 206.4023 207.1045 212.8107 221.3406 222.1767 222.4407 223.0532 223.2981 223.8925 225.8078 226.2570 228.1268 229.4352 229.7396 235.8134 241.0240 247.8165 248.8997 294.6157 295.0499 295.9201 298.2991 308.7556 313.3563 607.5242 617.0647 618.1308 625.6584 629.4607 630.1881 631.2772 631.9702 633.2239 634.1173 634.4684 635.1696 635.4551 636.4542 636.6898 640.1684 642.7264 643.2171 647.6428 650.7051 655.6844 657.8944 703.8062 708.9380 877.3330 1199.8897 1212.0701 1214.6328 1563.0615 -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 -0.049367 -0.055019 -0.207028 -0.278389 -0.439272 -0.323608 -0.087097 0.127836 -0.033225 -0.129036 -0.279146 -0.269149 -0.215972 0.396676 0.076038 0.422877 -0.018031 -0.234690 -0.163842 -0.168292 0.171660 -0.162599 0.201142 0.273843 -0.182991 -0.244286 -0.146420 -0.119834 -0.181260 0.113721 0.113968 0.100335 0.102169 0.094125 0.100891 0.095127 0.097163 0.140491 0.130237 0.147619 0.148961 0.151372 0.157797 0.148035 0.159491 0.158723 0.158254 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 17.0494 17.0550 9.2070 8.2784 8.4393 8.3236 7.0871 5.8722 6.0332 6.1290 6.2791 6.2691 6.2160 5.6033 5.9240 5.5771 6.0180 6.2347 6.1638 6.1683 5.8283 6.1626 5.7989 5.7262 6.1830 6.2443 6.1464 6.1198 6.1813 0.8863 0.8860 0.8997 0.8978 0.9059 0.8991 0.9049 0.9028 0.8595 0.8698 0.8524 0.8510 0.8486 0.8422 0.8520 0.8405 0.8413 0.8417 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 -0.0494 -0.0550 -0.2070 -0.2784 -0.4393 -0.3236 -0.0871 0.1278 -0.0332 -0.1290 -0.2791 -0.2691 -0.2160 0.3967 0.0760 0.4229 -0.0180 -0.2347 -0.1638 -0.1683 0.1717 -0.1626 0.2011 0.2738 -0.1830 -0.2443 -0.1464 -0.1198 -0.1813 0.1137 0.1140 0.1003 0.1022 0.0941 0.1009 0.0951 0.0972 0.1405 0.1302 0.1476 0.1490 0.1514 0.1578 0.1480 0.1595 0.1587 0.1583 1.2835 1.2511 1.0860 2.1537 2.0659 2.0838 3.1126 3.7247 3.8784 3.8420 3.9156 3.8927 3.9048 4.1507 4.1849 3.7418 3.7728 4.0184 3.9295 3.9088 3.7684 3.8916 4.0628 3.7039 3.9090 4.0091 3.8896 3.8855 3.9058 1.0229 1.0175 1.0029 0.9997 0.9990 0.9994 1.0162 1.0014 1.0079 1.0202 1.0178 1.0008 0.9982 0.9954 1.0068 0.9904 0.9889 0.9903 1.2835 1.2511 1.0860 2.1537 2.0659 2.0838 3.1126 3.7247 3.8784 3.8420 3.9156 3.8927 3.9048 4.1507 4.1849 3.7418 3.7728 4.0184 3.9295 3.9088 3.7684 3.8916 4.0628 3.7039 3.9090 4.0091 3.8896 3.8855 3.9058 1.0229 1.0175 1.0029 0.9997 0.9990 0.9994 1.0162 1.0014 1.0079 1.0202 1.0178 1.0008 0.9982 0.9954 1.0068 0.9904 0.9889 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 1.1947 1.1484 1.0736 1.1337 0.8954 1.8978 0.9870 0.9243 3.0527 0.9570 0.8395 0.9316 0.9505 0.9175 0.9887 0.9981 1.0154 1.0221 0.9890 0.9944 0.9882 0.9934 0.9838 0.9893 1.8691 0.9704 0.9106 0.9002 0.9720 1.3576 1.3898 1.4057 0.9391 1.3921 0.9710 1.3580 1.4524 0.9820 1.3560 1.3900 1.4177 0.9693 1.4299 0.9828 1.4119 0.9766 1.4066 0.9775 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 -0.024502843 -2149.961951403374 -1.47401 0.62672 -0.84729 11.29547 -10.63637 0.65910 22.98027 -19.87134 3.10893 3.28903 8.36006