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:-2.5803,-.5859,.9791;-4.1092,-1.0052,-1.4273;3.914,-2.8067,-1.4202;.9648,2.3929,.5064;1.6819,2.9519,-1.5305;1.3747,-2.5373,-.771;2.242,1.7384,3.4709;-1.7456,3.6017,-.467;-1.7259,2.1094,-.3381;-.6532,2.8089,-1.1583;-1.447,4.4183,.7662;-2.7442,4.262,-1.3854;-2.6549,1.2105,-1.0307;.7666,2.7477,-.7716;-3.0544,.038,-.552;2.2853,2.0314,.874;2.7177,.73,.2346;2.2438,1.8782,2.3294;1.8021,-.3069,.0855;4.028,.5817,-.1913;2.2064,-1.5,-.4905;4.4419,-.6174,-.7527;3.533,-1.6425,-.8855;.3665,-2.9073,.0878;.4943,-2.8449,1.468;-.7762,-3.4301,-.5005;-.5442,-3.3158,2.2602;-1.7969,-3.9098,.3049;-1.687,-3.8545,1.687;-1.3938,1.7571,.6304;-.764,2.756,-2.2355;-.9624,5.3581,.4975;-2.3811,4.6628,1.2746;-.8128,3.9023,1.4836;-2.4031,5.2627,-1.6543;-2.9013,3.7101,-2.3109;-3.7086,4.3626,-.885;-3.0192,1.4968,-2.0101;3.0024,2.8254,.6417;.7732,-.1909,.4046;4.7311,1.3975,-.0887;5.4618,-.753,-1.0869;1.3885,-2.4478,1.9313;-.8583,-3.4712,-1.579;-.4468,-3.2688,3.3368;-2.6859,-4.3206,-.1547;-2.488,-4.2235,2.3131; 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 3133.0469848425 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 6.906e-06 Time for diagonalization 0.457 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.348 sec Total time needed 0.816 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:-2.5803,-.5859,.9791;-4.1092,-1.0052,-1.4273;3.914,-2.8067,-1.4202;.9648,2.3929,.5064;1.6819,2.9519,-1.5305;1.3747,-2.5373,-.771;2.242,1.7384,3.4709;-1.7456,3.6017,-.467;-1.7259,2.1094,-.3381;-.6532,2.8089,-1.1583;-1.447,4.4183,.7662;-2.7442,4.262,-1.3854;-2.6549,1.2105,-1.0307;.7666,2.7477,-.7716;-3.0544,.038,-.552;2.2853,2.0314,.874;2.7177,.73,.2346;2.2438,1.8782,2.3294;1.8021,-.3069,.0855;4.028,.5817,-.1913;2.2064,-1.5,-.4905;4.4419,-.6174,-.7527;3.533,-1.6425,-.8855;.3665,-2.9073,.0878;.4943,-2.8448,1.468;-.7762,-3.4301,-.5005;-.5442,-3.3158,2.2602;-1.7969,-3.9098,.3049;-1.687,-3.8545,1.687;-1.3938,1.7571,.6304;-.764,2.756,-2.2355;-.9624,5.3581,.4975;-2.3811,4.6628,1.2746;-.8128,3.9023,1.4836;-2.4031,5.2627,-1.6543;-2.9013,3.7101,-2.3109;-3.7086,4.3626,-.885;-3.0192,1.4968,-2.0101;3.0024,2.8254,.6417;.7732,-.1909,.4046;4.7311,1.3975,-.0887;5.4618,-.753,-1.0869;1.3885,-2.4478,1.9313;-.8583,-3.4712,-1.579;-.4468,-3.2688,3.3368;-2.6859,-4.3206,-.1547;-2.488,-4.2235,2.3131; 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 "WATER" 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:-2.5803,-.5859,.9791;-4.1092,-1.0052,-1.4273;3.914,-2.8067,-1.4202;.9648,2.3929,.5064;1.6819,2.9519,-1.5305;1.3747,-2.5373,-.771;2.242,1.7384,3.4709;-1.7456,3.6017,-.467;-1.7259,2.1094,-.3381;-.6532,2.8089,-1.1583;-1.447,4.4183,.7662;-2.7442,4.262,-1.3854;-2.6549,1.2105,-1.0307;.7666,2.7477,-.7716;-3.0544,.038,-.552;2.2853,2.0314,.874;2.7177,.73,.2346;2.2438,1.8782,2.3294;1.8021,-.3069,.0855;4.028,.5817,-.1913;2.2064,-1.5,-.4905;4.4419,-.6174,-.7527;3.533,-1.6425,-.8855;.3665,-2.9073,.0878;.4943,-2.8449,1.468;-.7762,-3.4301,-.5005;-.5442,-3.3158,2.2602;-1.7969,-3.9098,.3049;-1.687,-3.8545,1.687;-1.3938,1.7571,.6304;-.764,2.756,-2.2355;-.9624,5.3581,.4975;-2.3811,4.6628,1.2746;-.8128,3.9023,1.4836;-2.4031,5.2627,-1.6543;-2.9013,3.7101,-2.3109;-3.7086,4.3626,-.885;-3.0192,1.4968,-2.0101;3.0024,2.8254,.6417;.7732,-.1909,.4046;4.7311,1.3975,-.0887;5.4618,-.753,-1.0869;1.3885,-2.4478,1.9313;-.8583,-3.4712,-1.579;-.4468,-3.2688,3.3368;-2.6859,-4.3206,-.1547;-2.488,-4.2235,2.3131; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2732 GEPOL Volume 2963.3379 GEPOL Surface-area 1592.9253 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.6s -2149.92079423 3133.04698484 -5282.96777908 -9179.45338897 3896.48560989 -0.03870467 -4293.38379988 2143.46300564 2.00301278 111.999973941899 111.999973941899 223.999947883799 -159.165190896396 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 -2765.5912 -2765.5605 -675.0870 -525.2462 -524.8439 -523.4403 -392.9796 -283.7856 -282.9023 -282.7314 -282.2873 -281.9152 -281.6039 -281.3306 -280.6097 -280.5934 -280.3261 -280.3085 -280.3015 -280.2209 -280.1247 -280.1051 -279.8053 -279.7735 -279.7663 -279.7086 -279.5829 -279.2631 -279.2470 -260.8586 -260.8287 -199.7013 -199.6700 -199.4526 -199.4483 -199.4258 -199.4165 -37.0068 -34.2361 -33.1359 -31.5977 -28.5024 -28.3780 -27.6533 -27.3670 -26.6891 -25.9425 -25.4548 -24.3814 -24.0735 -23.7620 -23.6548 -23.2374 -22.9123 -21.9401 -21.2430 -20.9180 -20.3330 -19.7364 -19.3435 -19.2155 -18.7634 -18.2705 -18.1697 -17.8875 -17.5787 -17.0892 -16.6998 -16.5739 -16.3544 -16.2451 -16.1488 -15.9487 -15.6868 -15.4822 -15.3009 -14.9793 -14.8641 -14.6298 -14.5920 -14.4056 -14.2750 -14.1604 -14.1224 -13.8345 -13.7735 -13.6064 -13.5701 -13.3153 -13.1029 -13.0151 -12.9444 -12.7985 -12.6962 -12.5207 -12.4458 -12.3657 -12.1814 -11.9922 -11.8114 -11.7334 -11.6731 -11.5625 -11.4348 -11.1456 -10.8917 -10.2508 -9.7383 -9.4301 -9.3734 -8.7991 -8.5290 0.9615 1.2818 1.3757 1.6300 1.9662 2.2491 2.4628 2.5424 2.9981 3.2260 3.3139 3.7603 3.8255 3.8340 4.0825 4.1646 4.5766 4.5990 4.7325 4.7873 4.9097 5.0357 5.2819 5.3294 5.4190 5.5857 5.7012 5.7121 5.9621 6.0833 6.1213 6.2208 6.3507 6.4344 6.5984 6.6701 6.7387 6.9202 7.0388 7.0849 7.1733 7.3838 7.4917 7.5458 7.7178 7.8130 7.8639 7.9673 8.0265 8.0557 8.1106 8.2274 8.3465 8.4239 8.5855 8.6881 8.7573 8.8582 8.8688 9.0405 9.1679 9.2683 9.5177 9.5279 9.6713 9.7286 9.8391 9.9198 10.1250 10.2949 10.3838 10.4156 10.4993 10.6144 10.6596 10.7804 10.8740 11.0224 11.1164 11.2609 11.3413 11.4065 11.4909 11.5824 11.6140 11.7692 11.7809 11.9009 12.0199 12.0696 12.1393 12.1765 12.2453 12.4071 12.5403 12.7335 12.8028 12.8680 12.9655 13.0066 13.1413 13.2274 13.3711 13.3803 13.5094 13.5368 13.8117 13.8596 13.9402 13.9699 14.0187 14.1606 14.2841 14.3324 14.3705 14.4289 14.6155 14.6338 14.7477 14.8752 14.9446 15.0437 15.1281 15.1902 15.2803 15.3933 15.4114 15.4987 15.6553 15.6773 15.8303 15.8544 15.9195 16.1484 16.1827 16.2302 16.2673 16.4333 16.4520 16.5041 16.5871 16.8329 16.8629 16.8915 17.0002 17.1976 17.3930 17.5997 17.7430 17.8064 17.8853 18.0142 18.1895 18.3979 18.5848 18.7273 18.8885 19.0571 19.2150 19.3378 19.5087 19.6549 19.7043 19.7712 20.0407 20.0651 20.2484 20.3383 20.5124 20.5808 20.7160 20.7338 20.7824 20.8742 20.9866 21.1979 21.2868 21.4575 21.4777 21.6982 21.7434 21.8930 22.0728 22.2173 22.2194 22.2675 22.5124 22.6970 22.8308 22.9795 23.0672 23.1604 23.3440 23.4380 23.5146 23.7358 23.8720 23.9064 24.0601 24.1814 24.3483 24.3942 24.5215 24.5638 24.8479 25.0639 25.1247 25.4647 25.6648 25.7365 25.9155 26.0929 26.1247 26.3783 26.4475 26.5718 26.6044 26.7502 27.0430 27.1722 27.3261 27.4910 27.5336 27.6953 27.8422 28.0244 28.3126 28.4128 28.4880 28.6510 28.9090 29.0426 29.1702 29.2785 29.3247 29.5263 29.6166 29.6724 29.9239 29.9513 30.2118 30.3452 30.3911 30.6484 30.6812 30.8932 31.0538 31.1280 31.2790 31.3691 31.6115 31.6515 31.7614 31.8735 32.1360 32.2599 32.4284 32.5035 32.6097 32.7604 32.8584 32.9622 33.0268 33.1082 33.2783 33.4693 33.6193 33.7143 33.8993 34.0025 34.0419 34.3220 34.5432 34.6793 34.7538 34.9434 35.1232 35.2642 35.3561 35.5370 35.6631 35.8053 35.9150 36.0747 36.2508 36.3632 36.5380 36.5981 36.7163 36.7206 36.8258 37.0005 37.0708 37.2045 37.4493 37.6089 37.7049 37.8940 37.9743 38.1551 38.3016 38.4960 38.5259 38.7263 38.8882 38.9319 39.0418 39.1497 39.2007 39.4093 39.4730 39.6091 39.7251 39.8478 40.0992 40.2219 40.4090 40.5654 40.6989 40.7851 40.8711 40.9338 41.1874 41.4262 41.4801 41.6791 41.8872 42.0866 42.3101 42.3451 42.5344 42.6492 42.7288 43.0548 43.1441 43.3137 43.3523 43.5117 43.7258 43.8064 43.9123 44.0245 44.1383 44.2847 44.3706 44.5342 44.5410 44.7430 44.9116 44.9736 45.1708 45.1879 45.3944 45.6718 45.7269 45.9096 46.1205 46.1901 46.2778 46.5435 46.5963 46.6543 46.9065 47.0912 47.2434 47.2799 47.4884 47.5887 47.7814 48.1078 48.2420 48.4786 48.5457 48.6341 48.7097 49.0422 49.2952 49.4928 49.5519 49.6532 49.7735 49.9969 50.2865 50.5524 50.6614 50.8175 50.9704 51.0879 51.4087 51.5823 51.6334 51.7529 51.8376 52.1290 52.3470 52.5276 52.5703 52.6106 52.7998 53.1303 53.2540 53.5496 53.6897 53.8405 53.9636 54.1180 54.4078 54.4761 54.9217 55.0403 55.2622 55.3265 55.7173 55.8296 55.9955 56.2167 56.3387 56.5318 56.6711 56.8377 56.9922 57.2645 57.4120 57.6132 57.7365 57.8423 58.1063 58.2093 58.3925 58.4178 58.6022 58.7848 58.9346 59.2456 59.3291 59.4292 59.6351 59.7108 59.8765 60.0093 60.3772 60.4938 60.5876 60.6584 61.1243 61.4061 61.6323 61.6488 62.1085 62.2966 62.5608 62.6081 62.7320 62.9845 63.2329 63.5117 63.5149 63.6834 63.8626 64.1504 64.3256 64.5537 64.6520 64.8096 64.9968 65.1431 65.3286 65.6249 65.7452 65.9232 66.1913 66.2660 66.5492 66.6437 66.7806 67.0722 67.1658 67.4522 67.5245 67.6403 67.7669 67.9467 68.1808 68.4586 68.6400 68.7751 69.1552 69.2182 69.3727 69.6117 70.1494 70.2724 70.5402 70.8178 70.9064 71.0994 71.4509 71.4628 71.9030 72.0529 72.3712 72.5800 72.9319 73.1874 73.2590 73.4022 73.6495 73.9906 74.1476 74.3847 74.6349 74.8499 74.9119 75.1326 75.2611 75.6457 75.7990 76.0789 76.2546 76.5253 76.6254 76.7394 76.8171 77.1599 77.3464 77.3932 77.6738 77.7245 77.7988 78.1299 78.1899 78.2205 78.3552 78.5921 78.7489 78.9120 79.0226 79.1964 79.3427 79.3975 79.4490 79.5977 79.7040 79.8262 79.9912 80.1039 80.2809 80.4527 80.6146 80.6790 80.7559 80.9850 81.2287 81.4633 81.6865 81.7957 81.9200 81.9882 82.2756 82.4311 82.4685 82.5641 82.6488 82.7681 82.7939 82.9497 83.0951 83.2028 83.2568 83.4164 83.6760 83.7872 83.9074 84.0150 84.4524 84.4644 84.5076 84.7700 84.8390 85.0288 85.1213 85.4475 85.5151 85.6055 85.6857 85.7840 85.9240 86.0308 86.0670 86.1837 86.2978 86.4222 86.5224 86.6769 86.7162 86.8882 87.0647 87.1657 87.3092 87.5556 87.6694 87.9254 88.0018 88.2388 88.3089 88.3802 88.5028 88.5450 88.7458 88.8617 89.0358 89.0466 89.1429 89.4086 89.4739 89.5318 89.7177 89.9078 89.9274 89.9885 90.2042 90.2650 90.4101 90.6911 90.7635 90.9276 91.1186 91.1513 91.3215 91.4690 91.6124 91.8145 91.9366 92.0243 92.2812 92.3940 92.5837 92.6817 92.7104 92.7626 92.8920 93.0201 93.0707 93.2485 93.3588 93.3766 93.4881 93.5814 93.6624 93.8887 93.9720 94.0971 94.2285 94.4023 94.5166 94.7562 94.8015 94.9478 95.0881 95.1702 95.3982 95.4481 95.6824 95.8394 95.9769 96.1764 96.2797 96.4138 96.4882 96.7308 96.8015 96.9883 97.1551 97.2711 97.5371 97.6715 97.8482 98.0065 98.1108 98.1221 98.3128 98.4683 98.5462 98.6408 98.9199 98.9873 99.1620 99.2590 99.5318 99.5560 99.8054 99.9799 100.2799 100.4167 100.5594 100.6893 100.8348 100.9201 101.0801 101.2079 101.3296 101.6180 101.7759 102.0945 102.1928 102.4468 102.5597 102.7899 103.1223 103.3164 103.5100 103.6597 103.8203 103.8749 103.9116 104.5496 104.6395 104.8203 105.0051 105.1746 105.3342 105.5834 105.6202 105.6540 105.7228 105.9839 106.0737 106.1962 106.3526 106.4923 106.7258 106.8149 107.1151 107.1515 107.5004 107.6553 107.7692 108.0402 108.2662 108.3394 108.6415 108.7861 109.0073 109.1854 109.3740 109.5380 109.5844 109.7398 109.8224 109.8721 110.1802 110.2992 110.3721 110.5476 110.8061 110.9338 111.0692 111.1493 111.4173 111.4842 111.6318 111.7980 111.8560 112.3062 112.4764 112.5494 112.7314 112.7913 113.1830 113.3628 113.6437 113.7394 113.8937 114.0176 114.0532 114.4376 114.6296 114.6954 114.8052 115.0330 115.2261 115.3961 115.4626 115.6222 115.9134 116.0604 116.2440 116.4370 116.7933 116.9014 117.0788 117.1320 117.2133 117.3265 117.4756 117.5843 117.6595 117.8269 117.9351 117.9982 118.3069 118.4138 118.5098 118.5632 118.6869 118.9221 118.9640 119.1134 119.1865 119.5029 119.6218 119.8954 120.0617 120.3127 120.5040 120.6945 120.7727 121.1031 121.3088 121.4940 121.6118 121.8559 121.9261 122.2111 122.3400 122.5745 122.9773 123.0275 123.2287 123.4767 123.6632 124.1523 124.2545 124.2822 124.8745 125.2697 125.6851 125.8828 126.0557 126.3726 126.4547 126.5356 126.7063 126.8406 127.0614 127.2201 127.6642 128.0956 128.1795 128.3018 128.8923 129.1493 129.2212 129.3293 129.5039 129.6042 130.1307 130.4356 130.5986 130.7170 130.8922 130.9759 131.3547 131.3844 131.6156 131.7296 131.7971 131.9314 132.1275 132.3986 132.9337 133.0563 133.2115 133.2719 133.4250 134.0346 134.2238 134.4568 134.8365 135.2685 135.4376 135.5552 135.9435 136.3154 136.5203 136.6438 137.6201 137.7349 138.1878 138.3936 138.5083 138.7809 138.8602 139.1213 139.7252 139.8389 139.8613 140.3421 140.9287 141.1944 141.3980 141.8703 142.0287 142.3056 142.6410 142.8091 143.1083 143.3926 143.7931 143.8928 144.4375 144.4714 144.5929 144.9287 145.0605 145.2741 145.3807 145.9682 146.3590 146.6808 146.9196 147.3127 147.5464 147.7329 147.9804 148.1539 148.2734 148.6524 148.6991 149.1174 149.6361 149.8839 149.9687 150.2200 150.4455 150.8448 151.2212 151.4442 151.5200 151.8083 152.1568 152.4571 152.8118 153.3316 153.7194 153.8963 154.4031 154.5853 155.0267 155.4028 155.4534 156.2508 156.7194 157.1280 157.2385 157.8603 158.0411 158.4379 158.9426 159.3833 159.6444 160.1156 160.1776 160.3208 160.6777 160.9906 161.1357 161.6968 162.2166 162.6975 162.9996 164.1979 164.9064 166.4171 168.0530 168.7298 169.8452 170.5086 172.1197 172.4931 173.0588 173.9163 175.7060 176.6129 177.4132 178.8746 180.2240 181.7260 182.5463 186.2310 186.8845 188.0034 188.2302 188.6039 189.2880 190.0516 190.8954 192.6588 192.9183 193.6047 195.0911 195.9261 196.2204 198.3465 199.9898 201.8473 205.8031 206.2332 206.4370 207.7359 212.6657 221.6467 222.6578 223.0656 223.5919 223.8526 224.3551 226.0409 226.5885 228.3437 229.7443 230.1128 235.8178 241.0206 247.8602 248.8585 295.0790 296.8065 298.1348 299.5552 308.8984 314.0442 610.0632 618.0540 619.9888 625.4778 629.6232 630.0725 631.5672 631.9920 633.4670 634.4328 635.3359 635.4799 635.8770 636.7443 637.0558 640.1977 642.1634 643.1305 647.2948 650.7780 655.7761 658.1458 704.2610 711.3502 876.9764 1198.9429 1212.6082 1214.7447 1563.0906 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 -0.058599 -0.065634 -0.210294 -0.283685 -0.454815 -0.332935 -0.099329 0.084588 0.039618 -0.065314 -0.258523 -0.274820 -0.217813 0.396364 0.064682 0.386256 -0.006469 -0.219736 -0.164305 -0.192386 0.221249 -0.150013 0.184883 0.338676 -0.211836 -0.281173 -0.139155 -0.115737 -0.193570 0.085526 0.102431 0.101247 0.097599 0.093814 0.099259 0.093424 0.101868 0.135097 0.150392 0.136073 0.151018 0.154873 0.156714 0.146522 0.161324 0.154447 0.158194 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 17.0586 17.0656 9.2103 8.2837 8.4548 8.3329 7.0993 5.9154 5.9604 6.0653 6.2585 6.2748 6.2178 5.6036 5.9353 5.6137 6.0065 6.2197 6.1643 6.1924 5.7788 6.1500 5.8151 5.6613 6.2118 6.2812 6.1392 6.1157 6.1936 0.9145 0.8976 0.8988 0.9024 0.9062 0.9007 0.9066 0.8981 0.8649 0.8496 0.8639 0.8490 0.8451 0.8433 0.8535 0.8387 0.8456 0.8418 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 -0.0586 -0.0656 -0.2103 -0.2837 -0.4548 -0.3329 -0.0993 0.0846 0.0396 -0.0653 -0.2585 -0.2748 -0.2178 0.3964 0.0647 0.3863 -0.0065 -0.2197 -0.1643 -0.1924 0.2212 -0.1500 0.1849 0.3387 -0.2118 -0.2812 -0.1392 -0.1157 -0.1936 0.0855 0.1024 0.1012 0.0976 0.0938 0.0993 0.0934 0.1019 0.1351 0.1504 0.1361 0.1510 0.1549 0.1567 0.1465 0.1613 0.1544 0.1582 1.2763 1.2408 1.0809 2.1119 2.0480 2.0795 3.1041 3.7815 3.8098 3.8225 3.9046 3.9132 3.9200 4.1715 4.1820 3.7390 3.6645 4.0723 3.9637 3.9413 3.6881 3.8637 4.0543 3.6183 3.9058 3.9648 3.8532 3.8340 3.8726 1.0422 1.0268 1.0005 0.9999 1.0115 1.0010 1.0051 1.0003 1.0187 1.0131 1.0097 0.9993 0.9961 0.9974 1.0085 0.9891 0.9925 0.9903 1.2763 1.2408 1.0809 2.1119 2.0480 2.0795 3.1041 3.7815 3.8098 3.8225 3.9046 3.9132 3.9200 4.1715 4.1820 3.7390 3.6645 4.0723 3.9637 3.9413 3.6881 3.8637 4.0543 3.6183 3.9058 3.9648 3.8532 3.8340 3.8726 1.0422 1.0268 1.0005 0.9999 1.0115 1.0010 1.0051 1.0003 1.0187 1.0131 1.0097 0.9993 0.9961 0.9974 1.0085 0.9891 0.9925 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 1.1558 1.1435 1.0696 1.1278 0.8827 1.8887 0.9717 0.9324 3.0467 0.9068 0.8975 0.9508 0.9494 0.8609 1.0340 0.9977 1.0379 0.9986 0.9942 0.9879 0.9841 0.9879 0.9891 0.9941 1.8698 0.9455 0.8804 0.9417 0.9811 1.3544 1.3846 1.3779 0.9572 1.3875 0.9810 1.3580 1.4372 0.9826 1.3476 1.3507 1.4038 0.9747 1.4073 0.9992 1.4019 0.9821 1.3746 0.9948 0.9938 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 -0.028998910 -2149.949793144814 -3.34028 2.49136 -0.84892 22.32948 -20.75843 1.57105 2.49639 -3.11991 -0.62352 1.89146 4.80771