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:-1.191,4.954,-.1656;-3.8204,6.117,.0823;2.1738,-4.619,.6517;.4908,1.385,1.1047;-.0028,1.0047,-1.0421;2.7289,-3.1531,-1.5981;3.2581,1.9612,2.8028;-2.9515,.9824,.0706;-2.6435,2.277,-.6017;-1.7044,1.762,.4618;-2.8494,-.2954,-.7262;-4.0361,.9477,1.1205;-3.4319,3.5039,-.3537;-.3509,1.34,.0571;-2.8876,4.6991,-.1673;1.8277,.9641,.8565;1.9425,-.5392,.8109;2.62,1.5285,1.9517;2.2544,-1.1732,-.3838;1.6918,-1.2941,1.9491;2.3441,-2.5535,-.4437;1.7632,-2.6759,1.8971;2.0924,-3.2926,.7072;1.8673,-4.0051,-2.235;.4895,-3.9321,-2.0926;2.4422,-4.9389,-3.0854;-.311,-4.8137,-2.8055;1.6293,-5.8068,-3.7943;.2492,-5.7536,-3.6556;-2.2523,2.1887,-1.6127;-1.7531,2.2457,1.4306;-3.8091,-.5072,-1.2009;-2.0957,-.2488,-1.5083;-2.6111,-1.1394,-.0761;-4.0867,1.8676,1.7039;-5.0132,.7928,.6585;-3.8671,.125,1.8168;-4.5136,3.439,-.3562;2.1979,1.3924,-.0806;2.4318,-.6011,-1.2852;1.4515,-.8102,2.8872;1.5814,-3.2782,2.7769;.0342,-3.1917,-1.4469;3.5189,-4.9791,-3.1837;-1.3857,-4.7571,-2.6939;2.081,-6.5353,-4.4546;-.3821,-6.437,-4.207; 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 2935.3328814991 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 7.571e-06 Time for diagonalization 0.348 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.271 sec Total time needed 0.634 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:-1.191,4.954,-.1656;-3.8204,6.117,.0823;2.1738,-4.619,.6517;.4908,1.385,1.1047;-.0028,1.0047,-1.0421;2.7289,-3.1531,-1.5981;3.2581,1.9612,2.8028;-2.9515,.9824,.0706;-2.6435,2.277,-.6017;-1.7044,1.762,.4618;-2.8494,-.2954,-.7262;-4.0361,.9477,1.1205;-3.4319,3.5039,-.3537;-.3509,1.34,.0571;-2.8876,4.6991,-.1673;1.8277,.9641,.8565;1.9425,-.5392,.8109;2.62,1.5285,1.9517;2.2544,-1.1732,-.3838;1.6918,-1.2941,1.9491;2.3441,-2.5535,-.4437;1.7632,-2.6759,1.8971;2.0924,-3.2926,.7072;1.8673,-4.0051,-2.235;.4895,-3.9321,-2.0926;2.4422,-4.9389,-3.0854;-.311,-4.8137,-2.8055;1.6293,-5.8068,-3.7943;.2492,-5.7536,-3.6556;-2.2523,2.1887,-1.6127;-1.7531,2.2457,1.4306;-3.8091,-.5072,-1.2009;-2.0957,-.2488,-1.5083;-2.6111,-1.1394,-.0761;-4.0867,1.8676,1.7039;-5.0132,.7928,.6585;-3.8671,.125,1.8168;-4.5136,3.439,-.3562;2.1979,1.3924,-.0806;2.4318,-.6011,-1.2852;1.4515,-.8102,2.8872;1.5814,-3.2782,2.7769;.0342,-3.1917,-1.4469;3.5189,-4.9791,-3.1837;-1.3857,-4.7571,-2.6939;2.081,-6.5353,-4.4546;-.3821,-6.437,-4.207; 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:-1.191,4.954,-.1656;-3.8204,6.117,.0823;2.1738,-4.619,.6517;.4908,1.385,1.1047;-.0028,1.0047,-1.0421;2.7289,-3.1531,-1.5981;3.2581,1.9612,2.8028;-2.9515,.9824,.0706;-2.6435,2.277,-.6017;-1.7044,1.762,.4618;-2.8494,-.2954,-.7262;-4.0361,.9477,1.1205;-3.4319,3.5039,-.3537;-.3509,1.34,.0571;-2.8876,4.6991,-.1673;1.8277,.9641,.8565;1.9425,-.5392,.8109;2.62,1.5285,1.9517;2.2544,-1.1732,-.3838;1.6918,-1.2941,1.9491;2.3441,-2.5535,-.4437;1.7632,-2.6759,1.8971;2.0924,-3.2926,.7072;1.8673,-4.0051,-2.235;.4895,-3.9321,-2.0926;2.4422,-4.9389,-3.0854;-.311,-4.8137,-2.8055;1.6293,-5.8068,-3.7943;.2492,-5.7536,-3.6556;-2.2523,2.1887,-1.6127;-1.7531,2.2457,1.4306;-3.8091,-.5072,-1.2009;-2.0957,-.2488,-1.5083;-2.6111,-1.1394,-.0761;-4.0867,1.8676,1.7039;-5.0132,.7928,.6585;-3.8671,.125,1.8168;-4.5136,3.439,-.3562;2.1979,1.3924,-.0806;2.4318,-.6011,-1.2852;1.4515,-.8102,2.8872;1.5814,-3.2782,2.7769;.0342,-3.1917,-1.4469;3.5189,-4.9791,-3.1837;-1.3857,-4.7571,-2.6939;2.081,-6.5353,-4.4546;-.3821,-6.437,-4.207; -2149.91214322 2935.33288150 -5085.24502472 -8783.83449345 3698.58946873 -4293.44681113 2143.53466790 2.00297521 111.999881105979 111.999881105979 223.999762211959 -159.166600010438 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 -2765.8429 -2765.8038 -675.2546 -525.3961 -524.8644 -523.4944 -392.8289 -283.8143 -283.1402 -283.1339 -282.6082 -282.0277 -281.7009 -281.0412 -280.9999 -280.8197 -280.7143 -280.6514 -280.6446 -280.5414 -280.5269 -280.4889 -279.9918 -279.9586 -279.9426 -279.9104 -279.8229 -279.7566 -279.7514 -261.1114 -261.0722 -199.9540 -199.9172 -199.7096 -199.6961 -199.6655 -199.6594 -37.2225 -34.3270 -33.2697 -31.7126 -28.7376 -28.3379 -27.9923 -27.6381 -26.8105 -26.2185 -25.6839 -24.6674 -24.4101 -23.9716 -23.8067 -23.4705 -23.2668 -22.4899 -21.5271 -21.0599 -20.6449 -19.9418 -19.7903 -19.4764 -18.7641 -18.4620 -18.1691 -17.9847 -17.9203 -17.4435 -17.1863 -16.9959 -16.5285 -16.4039 -16.3475 -16.1370 -15.9903 -15.8872 -15.6802 -15.2596 -15.1129 -15.0249 -14.9585 -14.6395 -14.4936 -14.3684 -14.3068 -14.0960 -14.0577 -13.9426 -13.7395 -13.6280 -13.4987 -13.2561 -13.1626 -13.0051 -12.9173 -12.6452 -12.5762 -12.3986 -12.2725 -12.2140 -12.1769 -11.9748 -11.8975 -11.5953 -11.4258 -11.1115 -10.9230 -10.7186 -9.9241 -9.6183 -9.5073 -9.4789 -8.7427 0.8363 1.0240 1.1239 1.5699 1.8390 1.9205 2.3538 2.4970 2.5829 2.8925 3.0355 3.3890 3.4852 3.6320 3.7436 3.8317 4.0384 4.1633 4.3004 4.3645 4.4406 4.6513 4.7631 4.8419 5.0013 5.1676 5.2540 5.4391 5.5479 5.6185 5.8130 5.9134 5.9964 6.0418 6.1964 6.2510 6.3183 6.5990 6.7268 6.7532 6.8746 7.0798 7.3443 7.4227 7.4577 7.5267 7.7390 7.7595 7.8617 7.9422 7.9992 8.0816 8.1185 8.2231 8.2936 8.4788 8.5294 8.5936 8.6531 8.7550 8.9031 9.0925 9.1199 9.2263 9.3411 9.4072 9.4930 9.6282 9.7255 9.8682 9.8987 9.9719 10.1669 10.2646 10.3341 10.4491 10.5329 10.6194 10.6522 10.7387 10.9250 11.0401 11.2288 11.2412 11.3084 11.3814 11.4911 11.5339 11.6464 11.7375 11.8402 11.9703 12.0123 12.0501 12.1322 12.2240 12.3843 12.4639 12.6260 12.7189 12.7498 12.7874 12.8169 12.9275 12.9972 13.0929 13.1802 13.2656 13.3230 13.4599 13.6570 13.6645 13.7779 13.8868 13.9638 14.0289 14.0642 14.1550 14.2068 14.2956 14.3489 14.4627 14.4937 14.6891 14.7614 14.8819 14.9316 15.0109 15.1946 15.2367 15.3850 15.4696 15.4763 15.5593 15.8021 15.8592 15.8847 15.9389 15.9904 16.1334 16.1951 16.3095 16.4834 16.6286 16.7582 16.9774 17.0385 17.1032 17.1652 17.3052 17.3652 17.4496 17.5614 17.8545 17.9482 18.1789 18.2449 18.3711 18.6081 18.6877 18.8888 18.9952 19.0998 19.4309 19.4553 19.5466 19.7570 19.9281 20.0345 20.0880 20.1769 20.2619 20.4006 20.5145 20.7729 20.8102 20.9426 20.9860 21.1204 21.1770 21.2763 21.4592 21.5575 21.6760 21.7568 22.0176 22.0257 22.2117 22.3310 22.5174 22.5349 22.8207 23.0208 23.0725 23.1467 23.2387 23.3920 23.6350 23.6523 23.9137 24.0240 24.1161 24.1972 24.4646 24.5208 24.6740 24.9114 25.0601 25.2408 25.3485 25.4328 25.5308 25.7008 25.9232 26.0855 26.3475 26.5707 26.6944 26.7964 26.9845 27.0993 27.1384 27.1835 27.4859 27.5246 27.6020 27.7032 28.0808 28.1385 28.1620 28.2955 28.4287 28.4685 28.8275 28.8835 28.9769 29.0544 29.2624 29.3229 29.3395 29.5588 29.6015 29.6904 29.8641 30.0014 30.2133 30.3182 30.5296 30.6693 30.7838 30.8643 30.9507 31.1860 31.4359 31.5203 31.5565 31.7923 31.9199 32.0736 32.2428 32.4430 32.5345 32.6225 32.7785 32.8705 32.9680 33.1637 33.2415 33.4262 33.4612 33.6255 33.7579 33.9203 34.0944 34.1142 34.2084 34.4679 34.6508 34.8382 34.8689 35.1067 35.3601 35.5540 35.6629 35.8486 36.0361 36.1205 36.2204 36.3546 36.4791 36.5778 36.6296 36.8980 37.1308 37.1632 37.2378 37.3913 37.4614 37.5474 37.8364 37.9214 37.9728 38.0007 38.3235 38.3859 38.4640 38.5148 38.6631 38.6885 38.8474 38.9457 39.1424 39.2102 39.3354 39.5119 39.6005 40.0394 40.1579 40.1768 40.2681 40.5263 40.7071 40.7272 41.0122 41.0993 41.2676 41.4343 41.5179 41.6584 41.7891 41.9924 42.0387 42.2007 42.3166 42.4686 42.6034 42.6403 42.8028 42.8726 43.0437 43.2479 43.3061 43.4672 43.6405 43.8291 43.9561 44.0488 44.2158 44.3658 44.4709 44.5735 44.7561 44.8720 44.9693 45.2687 45.4130 45.5117 45.5804 45.6565 45.8510 45.9289 46.0929 46.3541 46.3768 46.6856 46.8402 46.9314 47.0286 47.1723 47.4661 47.5675 47.9632 48.0345 48.1926 48.2761 48.4590 48.8019 48.8730 49.0294 49.4175 49.5100 49.7799 49.8444 50.0139 50.3622 50.4200 50.5352 50.7684 50.8393 50.8969 51.2383 51.3153 51.5259 51.6685 51.7811 51.9264 52.0144 52.1674 52.2744 52.3219 52.4772 52.6104 52.6374 52.8960 53.4421 53.7255 53.9914 54.1198 54.2881 54.4357 54.5794 54.8902 55.0229 55.0686 55.2075 55.6753 55.7423 56.0085 56.1711 56.3315 56.5794 56.6037 56.7968 56.9195 57.1313 57.1732 57.5319 57.7191 57.8697 57.9066 58.1439 58.5144 58.6032 58.9344 59.0487 59.1794 59.2287 59.2884 59.5333 59.6842 59.8839 60.0085 60.2192 60.2826 60.7596 61.0541 61.2864 61.3444 61.5412 61.5723 61.7737 62.0281 62.1211 62.5226 62.6899 62.8746 63.2060 63.3359 63.4754 63.5417 63.8463 63.8681 64.0414 64.2584 64.4752 64.6722 64.8285 64.9626 65.2077 65.2463 65.3606 65.8793 65.9320 66.2190 66.3896 66.5584 66.7334 67.0519 67.1225 67.1846 67.2793 67.3527 67.6576 67.8862 68.2750 68.4330 68.5176 68.5622 68.7958 69.0525 69.2057 69.3546 69.7681 70.1595 70.5521 70.9463 71.1573 71.3421 71.6492 71.8099 71.9756 72.2039 72.4483 72.6262 72.7644 73.0021 73.3831 73.7516 73.8089 74.0074 74.5668 74.5776 74.6825 74.8343 75.0309 75.1887 75.4098 75.8324 75.9464 76.0263 76.0594 76.4587 76.5421 76.8050 76.9783 77.0219 77.4023 77.4939 77.6539 77.7434 77.8453 78.0817 78.2089 78.3978 78.5268 78.6257 78.7775 78.8980 79.0004 79.0833 79.1416 79.3187 79.4116 79.5076 79.5310 79.7216 79.9943 80.1988 80.2342 80.3404 80.4453 80.7109 80.9500 80.9838 81.2551 81.3663 81.5725 81.6204 81.7077 81.7911 81.9704 82.0081 82.0703 82.2507 82.2983 82.6812 82.8026 82.9861 83.2182 83.3368 83.4345 83.5724 83.6702 83.8416 83.9674 83.9871 84.3105 84.4324 84.5622 84.7312 84.7779 85.0108 85.1466 85.3235 85.4037 85.4484 85.5517 85.6028 85.6353 85.7106 85.9151 85.9718 86.0481 86.1578 86.3371 86.3652 86.5666 86.6194 87.0257 87.2183 87.4669 87.7472 87.7733 87.8738 88.0739 88.1430 88.2314 88.3429 88.4650 88.6244 88.7057 88.8088 88.9237 89.0271 89.0536 89.2393 89.3881 89.4976 89.6272 89.9005 89.9287 90.0237 90.2661 90.3325 90.4170 90.5276 90.6357 90.7341 90.8324 90.9234 91.2232 91.4462 91.5532 91.6484 91.7025 91.9213 92.1085 92.2290 92.4230 92.4667 92.6503 92.7092 92.8511 92.9486 93.0586 93.1343 93.2541 93.3953 93.4901 93.5661 93.6142 93.6976 94.0892 94.1534 94.2298 94.3753 94.4194 94.7790 94.8281 94.8876 95.1300 95.1871 95.3252 95.5156 95.6937 95.7127 95.9524 96.0786 96.3282 96.3471 96.5076 96.5718 96.7556 96.9512 96.9767 97.1191 97.2891 97.4241 97.5018 97.6663 97.7639 97.8459 98.0067 98.0928 98.3011 98.6528 98.7362 98.8725 99.0001 99.0941 99.1733 99.4009 99.5564 99.8162 100.0013 100.1903 100.3303 100.4286 100.5420 100.8452 101.0316 101.1638 101.4382 101.6978 102.0277 102.1103 102.2957 102.5419 102.7298 102.9666 103.2552 103.3497 103.5116 103.6649 103.9046 104.0266 104.2294 104.3754 104.5628 104.7682 105.0721 105.1900 105.3482 105.4081 105.5150 105.5278 105.6189 105.7699 105.8961 106.2523 106.2739 106.4461 106.5935 106.7639 107.0252 107.1217 107.2008 107.3852 107.6769 107.9068 107.9912 108.0055 108.5211 108.5539 108.6593 108.8606 109.0338 109.1988 109.5221 109.7516 109.8776 110.0553 110.2141 110.3272 110.4940 110.5970 110.7755 110.8977 110.9406 111.1660 111.2365 111.5407 111.6954 111.9205 112.0583 112.1843 112.2772 112.7010 112.8500 112.9004 113.0697 113.2708 113.3903 113.5347 113.6964 113.8459 114.0502 114.1763 114.4131 114.5817 114.7348 114.8562 114.9726 115.1563 115.4466 115.7041 115.8659 115.8991 116.0039 116.1306 116.3165 116.6156 116.7550 116.9441 116.9807 117.0689 117.2743 117.4247 117.5178 117.5764 117.6541 117.7119 117.9595 118.0932 118.1873 118.3047 118.6187 118.7050 118.8090 118.9420 119.3799 119.6141 119.6903 119.8740 119.9625 120.1342 120.1826 120.4053 120.5882 120.8008 121.0585 121.2611 121.4859 121.6356 121.7221 122.0507 122.1686 122.3544 122.6906 123.2665 123.3070 123.4599 123.6873 123.9485 124.5128 124.6359 124.9582 125.3476 125.5146 125.7547 125.9553 126.3025 126.4337 126.5798 126.9138 127.3011 127.6170 127.6834 127.7857 128.2380 128.5748 128.6380 128.9487 129.1003 129.2410 129.4996 129.7131 129.8221 129.9012 129.9801 130.2677 130.7300 130.7926 131.0292 131.2367 131.4626 131.8803 132.0033 132.3586 132.4381 132.7365 132.9016 133.0875 133.1352 133.3115 133.5188 133.6546 133.8523 134.0273 134.6452 134.8944 135.0544 135.2245 135.4163 135.7060 136.3703 137.0424 137.3324 137.8248 138.0542 138.0926 138.3534 138.4974 138.5402 138.6004 139.4206 139.7025 139.9418 140.0986 140.9816 141.0438 141.4514 141.7504 142.1582 142.2521 142.7668 142.8322 143.4243 143.6699 143.9727 144.1673 144.1699 144.2842 144.3812 144.5868 144.8614 145.2609 145.6103 145.6281 145.7780 146.4044 146.6245 146.7699 147.3463 147.4629 147.7497 148.1080 148.2308 148.2657 148.9118 149.0159 149.3209 149.4681 149.6060 149.6774 150.2010 150.4499 150.6770 150.9962 151.5663 151.7033 152.0661 152.2807 152.6987 153.1228 153.4260 153.7769 153.8477 154.2355 154.6691 154.8559 155.5686 155.7312 156.5301 156.6694 157.0587 157.2819 157.6637 158.1699 158.4065 158.9395 159.0229 159.4449 159.5460 159.9970 160.3370 160.9502 161.4669 161.7367 162.1287 162.9222 163.6213 164.9612 165.4832 167.7235 168.3531 169.6145 170.5919 171.1300 172.4863 172.7386 174.6695 175.5137 176.8730 178.5255 178.7656 180.2245 182.3844 182.9073 185.5290 186.2235 186.7185 188.6858 189.1984 189.2991 189.9568 191.3537 192.2939 192.7772 193.2802 195.4634 196.2249 196.6153 198.7984 199.7672 201.0725 204.9867 206.1722 206.4834 206.6115 212.8423 221.2274 222.0402 222.3029 222.9178 223.2247 223.7139 225.7246 226.0717 228.0486 229.4466 230.1010 235.9425 241.2508 247.8942 249.1566 294.4993 294.8125 295.8007 298.2182 308.6501 313.2454 607.2317 617.5555 619.2201 625.0592 629.0160 630.1269 631.3099 632.5490 632.9252 633.9894 634.2362 635.0914 635.3372 636.7451 636.8151 639.7197 642.3337 643.3981 647.2349 650.1441 655.5275 658.1137 704.2643 709.3139 876.6021 1200.5212 1212.5642 1214.8517 1564.3943 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 -0.030124 -0.036770 -0.184002 -0.252767 -0.383055 -0.297880 0.000730 0.115686 -0.018231 -0.160261 -0.255883 -0.268100 -0.247885 0.381288 0.093734 0.316865 -0.027057 -0.258457 -0.095687 -0.142324 0.085791 -0.160274 0.263814 0.247967 -0.125920 -0.199885 -0.137363 -0.096128 -0.138755 0.111407 0.107270 0.090146 0.102203 0.087578 0.088935 0.094535 0.095932 0.119679 0.118675 0.118078 0.127650 0.129819 0.123808 0.123613 0.122497 0.124936 0.124172 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 17.0301 17.0368 9.1840 8.2528 8.3831 8.2979 6.9993 5.8843 6.0182 6.1603 6.2559 6.2681 6.2479 5.6187 5.9063 5.6831 6.0271 6.2585 6.0957 6.1423 5.9142 6.1603 5.7362 5.7520 6.1259 6.1999 6.1374 6.0961 6.1388 0.8886 0.8927 0.9099 0.8978 0.9124 0.9111 0.9055 0.9041 0.8803 0.8813 0.8819 0.8724 0.8702 0.8762 0.8764 0.8775 0.8751 0.8758 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 -0.0301 -0.0368 -0.1840 -0.2528 -0.3831 -0.2979 0.0007 0.1157 -0.0182 -0.1603 -0.2559 -0.2681 -0.2479 0.3813 0.0937 0.3169 -0.0271 -0.2585 -0.0957 -0.1423 0.0858 -0.1603 0.2638 0.2480 -0.1259 -0.1999 -0.1374 -0.0961 -0.1388 0.1114 0.1073 0.0901 0.1022 0.0876 0.0889 0.0945 0.0959 0.1197 0.1187 0.1181 0.1276 0.1298 0.1238 0.1236 0.1225 0.1249 0.1242 1.3035 1.2699 1.1165 2.1348 2.1199 2.1057 3.1178 3.7271 3.8402 3.8917 3.9002 3.9141 3.9107 4.1555 4.2046 3.8436 3.6445 4.0213 3.9700 3.9823 3.8949 3.9395 4.0373 3.7970 3.9099 4.0290 3.9803 3.9565 3.9597 1.0252 1.0247 1.0037 1.0188 1.0012 1.0011 1.0013 1.0065 1.0168 1.0171 1.0285 1.0142 1.0068 1.0078 1.0145 1.0013 0.9987 1.0003 1.3035 1.2699 1.1165 2.1348 2.1199 2.1057 3.1178 3.7271 3.8402 3.8917 3.9002 3.9141 3.9107 4.1555 4.2046 3.8436 3.6445 4.0213 3.9700 3.9823 3.8949 3.9395 4.0373 3.7970 3.9099 4.0290 3.9803 3.9565 3.9597 1.0252 1.0247 1.0037 1.0188 1.0012 1.0011 1.0013 1.0065 1.0168 1.0171 1.0285 1.0142 1.0068 1.0078 1.0145 1.0013 0.9987 1.0003 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.2056 1.1528 1.0593 1.1316 0.8919 1.9239 0.9469 0.9678 3.0585 0.9575 0.8481 0.9585 0.9295 0.9160 0.9764 0.9970 1.0144 1.0274 0.9908 0.9833 0.9920 0.9896 0.9956 0.9903 1.8692 0.9760 0.9063 0.9230 1.0040 1.3399 1.3861 1.4485 0.9476 1.4305 0.9610 1.3727 1.4382 0.9741 1.3651 1.3998 1.4258 0.9570 1.4654 0.9704 1.4503 0.9725 1.4169 0.9753 0.9777 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 -0.024982433 -2149.937125657135 -11.53162 9.80855 -1.72308 -30.43583 29.54315 -0.89267 -7.21090 6.75737 -0.45353 1.99287 5.06548