Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Cl Cl F O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 1 1 2 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-3.2884,-.1288,2.4277;-4.7931,-.9795,.1204;3.9092,-3.1594,.9521;1.4557,2.1443,-1.2954;1.1131,2.1375,.9129;2.2253,-2.8731,-1.143;3.9501,3.9607,.1806;-1.7207,3.2115,.0271;-1.7958,1.7648,.4174;-.7549,2.2164,-.5865;-1.2497,4.1979,1.0675;-2.7578,3.7857,-.9087;-2.8789,.8812,-.0337;.6683,2.1623,-.1981;-3.5655,.0515,.7416;2.845,1.9571,-1.0823;3.1603,.6011,-.4889;3.4361,3.074,-.3373;2.5601,-.5066,-1.0733;4.0257,.4268,.5801;2.8029,-1.7789,-.5854;4.2964,-.8466,1.057;3.6778,-1.9373,.4813;.8641,-2.9971,-1.0655;.2554,-3.7728,-2.042;.1106,-2.4113,-.0566;-1.1168,-3.9612,-2.006;-1.2621,-2.6103,-.0354;-1.8841,-3.3782,-1.0072;-1.3982,1.5462,1.402;-.9432,1.975,-1.6268;-2.1075,4.5694,1.63;-.5484,3.768,1.7778;-.7666,5.0559,.5967;-2.3806,4.6959,-1.3766;-3.0403,3.1029,-1.7092;-3.6646,4.0444,-.3598;-3.1438,.8873,-1.0838;3.2679,2.0096,-2.0897;1.8809,-.3968,-1.9106;4.49,1.2788,1.058;4.9673,-.9926,1.8926;.8592,-4.2254,-2.8176;.577,-1.8113,.7142;-1.588,-4.5666,-2.7692;-1.8432,-2.1658,.7607;-2.9555,-3.5216,-.9818; 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 3075.7778659937 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 7.373e-06 Time for diagonalization 0.336 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.274 sec Total time needed 0.623 sec 17 17 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-3.2884,-.1288,2.4277;-4.7931,-.9795,.1204;3.9092,-3.1594,.9521;1.4557,2.1443,-1.2954;1.1131,2.1375,.9129;2.2253,-2.8731,-1.143;3.9501,3.9607,.1806;-1.7207,3.2115,.0271;-1.7958,1.7648,.4174;-.7549,2.2164,-.5865;-1.2497,4.1979,1.0675;-2.7578,3.7857,-.9087;-2.8789,.8812,-.0337;.6683,2.1623,-.1981;-3.5655,.0515,.7416;2.845,1.9571,-1.0823;3.1603,.6011,-.4889;3.4361,3.074,-.3373;2.5601,-.5066,-1.0733;4.0257,.4268,.5801;2.8029,-1.7789,-.5854;4.2964,-.8466,1.057;3.6778,-1.9373,.4813;.8641,-2.9971,-1.0655;.2554,-3.7728,-2.042;.1106,-2.4113,-.0566;-1.1168,-3.9612,-2.006;-1.2621,-2.6103,-.0354;-1.8841,-3.3782,-1.0072;-1.3982,1.5462,1.402;-.9432,1.975,-1.6268;-2.1075,4.5694,1.63;-.5484,3.768,1.7778;-.7666,5.0559,.5967;-2.3806,4.6959,-1.3766;-3.0403,3.1029,-1.7092;-3.6646,4.0444,-.3598;-3.1438,.8873,-1.0838;3.2679,2.0096,-2.0897;1.8809,-.3968,-1.9106;4.49,1.2788,1.058;4.9673,-.9926,1.8926;.8592,-4.2254,-2.8176;.577,-1.8113,.7142;-1.588,-4.5666,-2.7692;-1.8432,-2.1658,.7607;-2.9555,-3.5216,-.9818; 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 4 416.1447031999997 AuxInfo=1/0/N:11,12,29,27,28,25,26,20,22,19,13,18,17,24,9,23,21,16,15,10,14,8,1,2,3,7,5,6,4/E:(1,2)(4,5)(6,7)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.2,13.3,14.3,16.3,17.3,19.3,21.3,26.1,27.1/rA:47nClClFOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s2s13;s4;s16;s7s16;s17;s17;s6s19;s20;s3s21s22;s6;s24;s24;s25;s26;s27s28;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s22;s25;s26;s27;s28;s29;/rC:-3.2884,-.1288,2.4277;-4.7931,-.9795,.1204;3.9092,-3.1594,.9521;1.4557,2.1443,-1.2954;1.1131,2.1375,.9129;2.2253,-2.8731,-1.143;3.9501,3.9607,.1806;-1.7207,3.2115,.0271;-1.7958,1.7648,.4174;-.7549,2.2164,-.5865;-1.2497,4.1979,1.0675;-2.7578,3.7857,-.9087;-2.8789,.8812,-.0337;.6683,2.1623,-.1981;-3.5655,.0515,.7416;2.845,1.9571,-1.0823;3.1603,.6011,-.4889;3.4361,3.074,-.3373;2.5601,-.5066,-1.0733;4.0257,.4268,.5801;2.8029,-1.7789,-.5854;4.2964,-.8466,1.057;3.6778,-1.9373,.4813;.8641,-2.9971,-1.0655;.2554,-3.7728,-2.042;.1106,-2.4113,-.0566;-1.1168,-3.9612,-2.006;-1.2621,-2.6103,-.0354;-1.8841,-3.3782,-1.0072;-1.3982,1.5462,1.402;-.9432,1.975,-1.6268;-2.1075,4.5694,1.63;-.5484,3.768,1.7778;-.7666,5.0559,.5967;-2.3806,4.6959,-1.3766;-3.0403,3.1029,-1.7092;-3.6646,4.0444,-.3598;-3.1438,.8873,-1.0838;3.2679,2.0096,-2.0897;1.8809,-.3968,-1.9106;4.49,1.2788,1.058;4.9673,-.9926,1.8926;.8592,-4.2254,-2.8176;.577,-1.8113,.7142;-1.588,-4.5666,-2.7692;-1.8432,-2.1658,.7607;-2.9555,-3.5216,-.9818; -2149.91080286 3075.77786599 -5225.68866886 -9064.69743554 3839.00876669 -4293.44494261 2143.53413975 2.00297484 111.999858194576 111.999858194576 223.999716389151 -159.171937201654 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 -2765.8819 -2765.8273 -675.1172 -525.4636 -524.8296 -523.5361 -392.8152 -283.8453 -283.2333 -283.0919 -282.4924 -281.9885 -281.7247 -281.0569 -281.0557 -280.8657 -280.7738 -280.7663 -280.7362 -280.5079 -280.4323 -280.4068 -279.9863 -279.9645 -279.9464 -279.9126 -279.8621 -279.7448 -279.6650 -261.1487 -261.0934 -199.9914 -199.9380 -199.7452 -199.7358 -199.6879 -199.6808 -37.0823 -34.3935 -33.2660 -31.7798 -28.7143 -28.3349 -28.0523 -27.5863 -26.8179 -26.2306 -25.6443 -24.5690 -24.4625 -24.0098 -23.8184 -23.5369 -23.2257 -22.4595 -21.6520 -21.0526 -20.4632 -19.9120 -19.7654 -19.5960 -19.0347 -18.5534 -18.4443 -18.0267 -17.4294 -17.4000 -17.0459 -16.9876 -16.5174 -16.4308 -16.3104 -16.2834 -15.8516 -15.7953 -15.5357 -15.2843 -15.1806 -15.0068 -14.8840 -14.7862 -14.5722 -14.4663 -14.2983 -14.1171 -14.0260 -13.8779 -13.7811 -13.5177 -13.4877 -13.2461 -13.0800 -13.0353 -12.8454 -12.6439 -12.5654 -12.3775 -12.2743 -12.1711 -12.0917 -11.9563 -11.8852 -11.8428 -11.7077 -11.4041 -10.9926 -10.6469 -9.9725 -9.5559 -9.4629 -9.1834 -8.7413 0.7776 1.1115 1.2202 1.5639 1.8431 1.8880 2.2981 2.4325 2.5397 2.7801 3.0636 3.3980 3.4889 3.5839 3.7923 3.8620 4.1170 4.2316 4.3550 4.4590 4.5357 4.6023 4.7525 5.0564 5.1120 5.2649 5.4029 5.5097 5.6275 5.8199 5.9072 5.9484 5.9668 6.1935 6.3398 6.3439 6.4207 6.5018 6.7485 6.8225 6.9817 7.1058 7.2259 7.3511 7.3719 7.5357 7.6087 7.7427 7.8369 7.8685 7.9371 7.9919 8.1536 8.3312 8.4169 8.5824 8.6498 8.7418 8.8752 9.0115 9.0876 9.2096 9.2519 9.4799 9.5725 9.6587 9.7430 9.8465 9.9072 10.0791 10.1723 10.2281 10.3621 10.5593 10.6594 10.7125 10.7176 10.7979 10.9339 10.9853 11.0948 11.2696 11.3704 11.4144 11.4349 11.5399 11.6286 11.7098 11.7458 11.7715 11.9106 11.9918 12.1204 12.2179 12.3509 12.3813 12.5119 12.5511 12.6643 12.6769 12.8282 12.9145 12.9723 13.0830 13.1837 13.2355 13.3928 13.4513 13.5538 13.6959 13.8011 13.8719 13.9178 14.0548 14.1128 14.2283 14.3885 14.4356 14.4691 14.5423 14.6385 14.7396 14.7561 14.9685 15.0509 15.0873 15.1706 15.1972 15.3006 15.4754 15.5204 15.6640 15.6909 15.8065 15.9669 16.0752 16.1632 16.2310 16.3550 16.4767 16.5512 16.6088 16.7062 16.8383 16.9122 17.0564 17.1636 17.2631 17.4654 17.5732 17.7251 17.8221 17.9807 18.1649 18.2499 18.4111 18.6352 18.6935 18.8996 19.1252 19.2676 19.4827 19.5260 19.6058 19.6811 19.8787 19.9454 20.0292 20.2449 20.4037 20.4530 20.6111 20.6574 20.8333 20.8691 20.9904 21.2356 21.3836 21.4769 21.6086 21.7648 21.7989 21.8400 21.9288 22.0131 22.2319 22.3679 22.4107 22.6079 22.7338 22.8968 23.0383 23.1970 23.3829 23.4457 23.5927 23.7007 23.8130 23.8246 23.9402 24.0951 24.2725 24.4607 24.5013 24.8101 24.9675 24.9828 25.1731 25.2344 25.5641 25.6675 25.7509 25.8902 25.9499 26.1665 26.3210 26.3959 26.7071 26.7688 26.8883 27.0071 27.2208 27.3356 27.4662 27.5876 27.6401 27.8452 27.9360 28.0574 28.1996 28.3141 28.5878 28.7950 28.8804 28.9987 29.1150 29.3062 29.5253 29.6919 29.7349 29.7477 29.9419 30.0350 30.1193 30.3124 30.3795 30.5755 30.8064 30.8356 30.8992 31.0352 31.3115 31.4279 31.5635 31.6244 31.8007 32.0064 32.1276 32.2547 32.4091 32.5385 32.6468 32.7956 32.9646 33.0159 33.1161 33.2840 33.5066 33.7936 33.8267 33.9381 34.0667 34.1592 34.4590 34.4802 34.6217 34.8755 35.0345 35.1195 35.3080 35.5192 35.5351 35.6977 35.7721 35.9903 36.1651 36.3018 36.3158 36.3553 36.4134 36.5401 36.8749 36.9552 37.0074 37.1556 37.2744 37.5653 37.7168 37.7746 37.8278 38.0213 38.2037 38.2581 38.4753 38.6561 38.7103 38.8086 38.9724 39.0237 39.1348 39.1914 39.3166 39.4452 39.5675 39.7000 39.8237 39.9785 40.0837 40.3957 40.5610 40.6851 40.8080 40.8666 41.0432 41.3281 41.3552 41.5136 41.7300 42.0045 42.0838 42.1617 42.2270 42.5144 42.5969 42.7755 43.0561 43.1323 43.2730 43.3181 43.4393 43.6222 43.7394 43.7825 44.0024 44.0553 44.2369 44.2976 44.4890 44.5761 44.7082 44.8967 44.9723 45.1879 45.2836 45.4596 45.5400 45.6963 45.9312 46.1891 46.2225 46.3576 46.5917 46.6110 46.9768 47.0719 47.2314 47.3975 47.5380 47.5792 47.7071 47.9628 48.2393 48.3952 48.6067 48.7037 48.7827 49.0156 49.0618 49.1826 49.5129 49.6965 49.8897 50.0156 50.0952 50.4737 50.6361 50.7457 50.9354 51.0491 51.1707 51.3694 51.5300 51.6345 51.7416 51.7822 51.9547 52.1603 52.2774 52.3529 52.6816 52.7694 52.9303 53.1675 53.4990 53.6106 53.8353 54.4272 54.4385 54.4992 54.6414 55.0822 55.1813 55.4271 55.5962 55.6459 55.9680 56.2339 56.2804 56.4172 56.6511 56.8469 57.0506 57.1002 57.1838 57.4108 57.5049 57.9337 58.0347 58.1328 58.1725 58.3959 58.5115 58.6597 58.9731 59.1099 59.2197 59.3866 59.5492 59.6439 59.7446 59.9223 60.0980 60.4164 60.5881 60.6708 60.8594 61.1972 61.6255 61.7323 61.8512 62.1267 62.1516 62.3153 62.4850 62.5499 62.9442 63.1757 63.4715 63.6360 63.9650 64.1707 64.1853 64.5470 64.6877 64.7658 64.9723 64.9887 65.0977 65.2981 65.6045 65.7435 65.8640 66.1209 66.2321 66.5588 66.5857 66.6950 66.8662 67.2707 67.4448 67.5528 67.8222 67.9814 68.2565 68.4799 68.5727 68.6400 68.8526 69.1923 69.4189 69.6646 69.9923 70.0311 70.5463 70.8933 71.0529 71.3414 71.4815 71.6637 71.9739 72.2488 72.4526 72.5081 72.7056 73.1916 73.3354 73.5026 73.7589 73.9950 74.1466 74.3253 74.7345 74.9251 75.0259 75.1320 75.2983 75.3993 75.7486 76.1231 76.2595 76.3799 76.6441 76.7597 76.9534 77.1523 77.3455 77.4856 77.7411 77.8575 78.0848 78.1692 78.2009 78.2876 78.3143 78.3649 78.4725 78.8215 78.8272 78.9360 79.0844 79.2049 79.3677 79.5628 79.6704 79.7257 79.8176 79.8678 80.1624 80.2672 80.4853 80.6354 80.7704 80.8083 81.0053 81.0849 81.2326 81.3717 81.6951 81.8414 81.8519 81.9663 82.1483 82.2109 82.3582 82.3985 82.6294 82.8267 83.0962 83.1516 83.3325 83.3503 83.5039 83.7192 83.7622 83.9959 84.2125 84.2741 84.3819 84.6396 84.7814 84.9795 85.0345 85.1718 85.2147 85.3524 85.4563 85.6108 85.7998 85.8432 85.9406 85.9627 86.0995 86.1813 86.3557 86.5359 86.6359 86.8675 86.9377 87.0895 87.3341 87.5143 87.5860 87.7571 87.9068 88.0472 88.3206 88.4141 88.4659 88.6388 88.6977 88.7938 88.8531 88.9730 89.1050 89.3533 89.5127 89.5218 89.6378 89.7530 89.7980 89.8652 90.0737 90.2022 90.3166 90.5988 90.6557 90.9298 91.0770 91.3336 91.4290 91.5173 91.5288 91.8291 91.9200 92.0143 92.1955 92.3499 92.4907 92.5575 92.6302 92.8383 92.9530 93.0078 93.0982 93.1607 93.3212 93.4921 93.5398 93.6482 93.7287 93.8374 93.9687 94.1805 94.2892 94.4136 94.5845 94.6309 94.7076 94.8456 94.9819 95.0622 95.3094 95.5443 95.6565 95.7377 95.8026 96.0759 96.2557 96.4691 96.5459 96.8436 96.9041 97.0751 97.1823 97.3789 97.4480 97.5243 97.7081 97.7484 97.8534 97.9540 98.0813 98.2552 98.3768 98.5585 98.7876 98.9983 99.0609 99.3023 99.3064 99.5094 99.6838 99.9477 99.9740 100.2124 100.4851 100.6859 100.7802 100.8751 100.9344 101.3284 101.4791 101.5875 101.7916 102.0303 102.1273 102.2660 102.5509 102.7250 103.1224 103.1990 103.4434 103.5112 103.6709 104.0354 104.0657 104.3788 104.5755 104.7229 104.7478 104.9702 105.1684 105.2702 105.3078 105.4769 105.6907 105.8505 105.9883 106.1684 106.2462 106.3484 106.6289 106.9153 107.0683 107.1740 107.2292 107.3152 107.4154 107.5399 107.7648 107.9574 108.3064 108.5694 108.5931 108.9023 109.0868 109.1516 109.4710 109.7810 110.0331 110.0970 110.2429 110.3156 110.5343 110.6078 110.7225 110.7919 110.8831 110.9978 111.1560 111.2019 111.4170 111.5701 111.8052 112.1108 112.1468 112.6129 112.7052 112.8089 112.8687 113.2166 113.3354 113.5719 113.6378 113.8066 113.9018 114.0669 114.3793 114.5316 114.6680 114.7725 114.9848 115.1175 115.3633 115.6245 115.6895 116.0350 116.0619 116.1955 116.4105 116.5551 116.7446 116.8299 116.9504 117.0780 117.1528 117.2574 117.5162 117.5839 117.7360 117.9957 118.0787 118.1242 118.3015 118.4354 118.5061 118.6998 118.7510 118.8119 119.0418 119.2003 119.5702 119.6477 119.9115 120.1651 120.2397 120.4711 120.5766 120.9783 121.2454 121.4884 121.6647 121.7819 121.9607 122.1244 122.2057 122.3956 123.0857 123.2619 123.3342 123.8178 123.9357 124.2290 124.2913 124.4449 125.2255 125.3572 125.4603 125.7241 125.8402 126.1131 126.3283 126.5762 126.7297 126.8543 127.1220 127.4199 127.7333 128.1105 128.2842 128.5426 128.6017 128.9667 129.2171 129.3414 129.5843 129.8750 129.9967 130.1697 130.2428 130.5198 130.8217 130.8928 131.0759 131.2148 131.2840 131.6549 131.8262 131.8624 131.9580 132.2949 132.7628 132.8664 133.0421 133.1024 133.6020 133.9875 134.2108 134.3592 134.8190 135.2637 135.6036 135.7225 136.2260 136.3886 136.6678 137.2713 137.9438 138.1075 138.2083 138.3376 138.5574 138.6678 138.8098 139.2901 139.6436 139.7411 140.1046 140.4415 140.9402 141.1209 141.3856 141.6434 141.7844 142.3057 142.6590 142.9190 143.1784 143.5346 143.8477 143.9072 144.1270 144.4310 144.4872 144.7595 145.1529 145.2616 145.9062 146.0754 146.3336 146.4906 146.8454 146.9767 147.3350 147.3991 147.8180 148.2044 148.3205 148.5405 149.0255 149.1950 149.2621 149.6125 149.8691 150.2195 150.3444 150.6145 150.6725 151.0492 151.6639 151.8907 152.1451 152.4455 152.7882 153.3914 153.6573 153.7044 154.4188 154.5598 154.8187 155.4934 156.1432 156.5125 156.7427 157.1969 157.2581 157.4161 158.3585 158.5365 158.8813 159.1946 159.3648 159.5746 160.5054 160.7739 161.2892 161.4065 162.0104 162.4880 162.5919 163.2404 163.9594 164.5667 165.1204 167.2569 168.2689 170.1904 171.1677 172.2568 172.5704 173.2698 174.5230 176.9739 177.3104 179.1080 180.2877 180.7938 182.1528 183.0155 185.6840 185.9336 187.0996 188.7530 188.8610 189.3208 190.1837 191.1759 192.0311 192.8346 193.3645 195.8651 196.4919 196.7325 199.3888 200.0427 201.1551 204.8896 205.7124 206.7102 207.7644 213.0261 221.3663 221.6625 222.6315 222.9975 223.4323 224.7031 225.7930 225.9231 228.0471 229.5963 229.8241 235.9921 241.2424 247.8622 249.1315 295.5714 295.7693 296.0007 297.1380 308.6610 314.3348 609.6358 617.8788 619.4299 625.6719 629.3050 629.5241 631.6159 632.7286 634.1715 634.7195 635.3202 635.4402 635.5409 636.8987 637.1607 639.2712 641.7089 644.0512 646.9793 650.2108 655.5741 658.2337 705.1262 709.8855 877.6292 1201.6887 1210.3680 1214.9772 1563.4862 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 -0.042877 -0.045471 -0.182566 -0.281705 -0.352041 -0.298277 0.006233 0.059983 0.047158 -0.070911 -0.241939 -0.239248 -0.183463 0.334472 0.029229 0.430731 -0.063278 -0.287630 -0.199836 -0.093123 0.124821 -0.155666 0.222787 0.245457 -0.204677 -0.146077 -0.094414 -0.142430 -0.143370 0.090606 0.077301 0.090332 0.103740 0.091014 0.096461 0.071229 0.100585 0.098457 0.123080 0.130659 0.122304 0.128757 0.126405 0.128224 0.125223 0.142226 0.121523 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 17.0429 17.0455 9.1826 8.2817 8.3520 8.2983 6.9938 5.9400 5.9528 6.0709 6.2419 6.2392 6.1835 5.6655 5.9708 5.5693 6.0633 6.2876 6.1998 6.0931 5.8752 6.1557 5.7772 5.7545 6.2047 6.1461 6.0944 6.1424 6.1434 0.9094 0.9227 0.9097 0.8963 0.9090 0.9035 0.9288 0.8994 0.9015 0.8769 0.8693 0.8777 0.8712 0.8736 0.8718 0.8748 0.8578 0.8785 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 -0.0429 -0.0455 -0.1826 -0.2817 -0.3520 -0.2983 0.0062 0.0600 0.0472 -0.0709 -0.2419 -0.2392 -0.1835 0.3345 0.0292 0.4307 -0.0633 -0.2876 -0.1998 -0.0931 0.1248 -0.1557 0.2228 0.2455 -0.2047 -0.1461 -0.0944 -0.1424 -0.1434 0.0906 0.0773 0.0903 0.1037 0.0910 0.0965 0.0712 0.1006 0.0985 0.1231 0.1307 0.1223 0.1288 0.1264 0.1282 0.1252 0.1422 0.1215 1.2823 1.2579 1.1212 2.1068 2.1426 2.1150 3.1108 3.8046 3.8081 3.8620 3.9151 3.9066 3.8921 4.2178 4.2492 3.9039 3.7717 4.0531 3.9884 3.9150 3.8135 3.9328 4.1024 3.7785 4.0260 3.8861 3.9748 3.9325 3.9681 1.0474 1.0369 1.0006 1.0209 1.0028 1.0044 1.0098 1.0028 1.0302 0.9873 1.0188 1.0234 1.0073 1.0132 1.0149 0.9987 0.9995 1.0107 1.2823 1.2579 1.1212 2.1068 2.1426 2.1150 3.1108 3.8046 3.8081 3.8620 3.9151 3.9066 3.8921 4.2178 4.2492 3.9039 3.7717 4.0531 3.9884 3.9150 3.8135 3.9328 4.1024 3.7785 4.0260 3.8861 3.9748 3.9325 3.9681 1.0474 1.0369 1.0006 1.0209 1.0028 1.0044 1.0098 1.0028 1.0302 0.9873 1.0188 1.0234 1.0073 1.0132 1.0149 0.9987 0.9995 1.0107 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1760 1.1368 1.1070 1.0761 0.8681 1.9465 0.1248 0.9650 0.9773 3.0425 0.9070 0.8773 0.9746 0.9563 0.9001 1.0131 0.9859 1.0431 1.0107 0.9886 0.9805 0.9892 0.9891 0.9849 0.9937 1.8589 0.9572 0.9668 0.9393 0.9630 1.3504 1.3898 1.4192 0.9578 1.4159 0.9492 1.3976 1.4333 0.9748 1.4050 1.3432 1.4604 0.9722 1.4177 0.9678 1.4409 0.9775 1.4335 0.9605 0.9713 0 14 1 14 2 22 3 13 3 15 4 13 4 15 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 -0.027882864 -2149.938685726537 -1.36579 0.39193 -0.97386 18.90125 -18.72728 0.17397 -10.60380 9.41247 -1.19133 1.54852 3.93603