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:-3.0227,5.6955,-1.2048;-5.5293,4.3087,-1.5474;4.8184,-1.9538,2.5947;.1802,.1726,-1.0161;.8475,2.2645,-.5763;2.8996,-3.5458,1.7683;1.1596,-1.9656,-3.3493;-1.6801,2.2682,1.2776;-2.0023,2.9624,-.0127;-1.3823,1.5776,-.0391;-2.7941,1.6663,2.1009;-.566,2.8329,2.1249;-3.3816,3.1243,-.4914;-.0071,1.4214,-.5532;-3.8985,4.2316,-1.0097;1.481,-.1387,-1.5083;2.388,-.625,-.4071;1.2846,-1.1615,-2.5388;2.1843,-1.8867,.1477;3.3958,.1945,.0701;3.0056,-2.3426,1.1641;4.2204,-.2536,1.0942;4.0249,-1.5072,1.6239;2.0079,-4.4607,1.264;.8263,-4.6864,1.9491;2.3099,-5.1625,.1068;-.0649,-5.635,1.4684;1.4083,-6.102,-.368;.2207,-6.3403,.3094;-1.3197,3.7627,-.2751;-2.0443,.7555,-.2861;-2.3965,.9049,2.7733;-3.2737,2.4329,2.7113;-3.5682,1.1931,1.4983;-.0896,2.0457,2.7119;.2048,3.3298,1.5423;-.9779,3.5624,2.824;-4.0461,2.2715,-.4284;1.9258,.7372,-1.9901;1.3916,-2.5218,-.2284;3.5424,1.1822,-.3448;5.0183,.3667,1.4795;.614,-4.1301,2.8526;3.2395,-4.9756,-.4152;-.9877,-5.8186,2.0022;1.6371,-6.65,-1.272;-.4787,-7.0752,-.0651; 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 2872.9853270464 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 1 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 7.930e-06 Time for diagonalization 0.647 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.645 sec Total time needed 1.305 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:-3.0227,5.6955,-1.2048;-5.5293,4.3087,-1.5474;4.8184,-1.9538,2.5947;.1802,.1726,-1.0161;.8475,2.2645,-.5763;2.8996,-3.5458,1.7683;1.1596,-1.9656,-3.3493;-1.6801,2.2682,1.2776;-2.0023,2.9624,-.0127;-1.3823,1.5776,-.0391;-2.7941,1.6663,2.1009;-.566,2.8329,2.1249;-3.3816,3.1243,-.4914;-.0071,1.4214,-.5532;-3.8985,4.2316,-1.0097;1.481,-.1387,-1.5083;2.388,-.625,-.4071;1.2846,-1.1615,-2.5388;2.1843,-1.8867,.1477;3.3958,.1945,.0701;3.0056,-2.3426,1.1641;4.2204,-.2536,1.0942;4.0249,-1.5072,1.6239;2.0079,-4.4607,1.264;.8263,-4.6864,1.9491;2.3099,-5.1625,.1068;-.0649,-5.635,1.4684;1.4083,-6.102,-.368;.2207,-6.3403,.3094;-1.3197,3.7627,-.2751;-2.0443,.7555,-.286;-2.3965,.9049,2.7733;-3.2737,2.4329,2.7113;-3.5682,1.1931,1.4983;-.0896,2.0457,2.7119;.2048,3.3298,1.5423;-.9779,3.5624,2.824;-4.0461,2.2715,-.4284;1.9258,.7372,-1.9901;1.3916,-2.5218,-.2284;3.5424,1.1822,-.3448;5.0183,.3667,1.4795;.614,-4.1301,2.8526;3.2395,-4.9756,-.4152;-.9877,-5.8186,2.0022;1.6371,-6.65,-1.272;-.4787,-7.0752,-.0651; 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:-3.0227,5.6955,-1.2048;-5.5293,4.3087,-1.5474;4.8184,-1.9538,2.5947;.1802,.1726,-1.0161;.8475,2.2645,-.5763;2.8996,-3.5458,1.7683;1.1596,-1.9656,-3.3493;-1.6801,2.2682,1.2776;-2.0023,2.9624,-.0127;-1.3823,1.5776,-.0391;-2.7941,1.6663,2.1009;-.566,2.8329,2.1249;-3.3816,3.1243,-.4914;-.0071,1.4214,-.5532;-3.8985,4.2316,-1.0097;1.481,-.1387,-1.5083;2.388,-.625,-.4071;1.2846,-1.1615,-2.5388;2.1843,-1.8867,.1477;3.3958,.1945,.0701;3.0056,-2.3426,1.1641;4.2204,-.2536,1.0942;4.0249,-1.5072,1.6239;2.0079,-4.4607,1.264;.8263,-4.6864,1.9491;2.3099,-5.1625,.1068;-.0649,-5.635,1.4684;1.4083,-6.102,-.368;.2207,-6.3403,.3094;-1.3197,3.7627,-.2751;-2.0443,.7555,-.2861;-2.3965,.9049,2.7733;-3.2737,2.4329,2.7113;-3.5682,1.1931,1.4983;-.0896,2.0457,2.7119;.2048,3.3298,1.5423;-.9779,3.5624,2.824;-4.0461,2.2715,-.4284;1.9258,.7372,-1.9901;1.3916,-2.5218,-.2284;3.5424,1.1822,-.3448;5.0183,.3667,1.4795;.614,-4.1301,2.8526;3.2395,-4.9756,-.4152;-.9877,-5.8186,2.0022;1.6371,-6.65,-1.272;-.4787,-7.0752,-.0651; -2149.91471417 2872.98532705 -5022.90004122 -8659.21289593 3636.31285471 -4293.43946167 2143.52474750 2.00298106 112.000068652723 112.000068652723 224.000137305447 -159.166543351837 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 -2765.7520 -2765.6943 -675.0716 -525.3838 -524.9368 -523.5004 -392.8181 -283.8458 -283.0599 -283.0124 -282.4446 -282.1369 -281.7355 -281.0322 -281.0225 -280.7436 -280.7382 -280.7243 -280.6374 -280.4012 -280.3705 -280.3434 -280.1659 -280.1457 -280.1104 -280.1060 -280.0231 -279.9266 -279.6774 -261.0202 -260.9621 -199.8634 -199.8074 -199.6153 -199.6077 -199.5546 -199.5500 -37.0364 -34.2940 -33.3684 -31.7154 -28.6073 -28.3260 -27.9979 -27.5507 -27.0011 -26.1125 -25.6495 -24.5745 -24.3897 -24.0257 -23.9866 -23.5774 -23.2282 -22.4471 -21.5141 -21.2178 -20.3460 -20.1065 -19.5316 -19.4968 -18.8624 -18.5396 -18.4919 -18.0209 -17.8707 -17.2763 -17.0748 -16.8832 -16.5675 -16.4275 -16.3768 -16.2069 -15.9085 -15.8134 -15.3395 -15.2844 -15.2138 -15.0902 -14.9700 -14.7497 -14.6338 -14.3490 -14.1957 -14.0890 -14.0065 -13.8873 -13.7574 -13.5834 -13.4283 -13.2167 -13.0679 -13.0185 -12.9095 -12.8199 -12.5421 -12.4997 -12.3178 -12.2414 -12.0627 -12.0119 -11.8094 -11.6862 -11.6057 -11.2972 -10.9165 -10.6993 -9.8894 -9.6722 -9.4933 -9.1160 -8.9383 0.8074 1.1650 1.3013 1.4409 1.5537 1.9600 2.4490 2.5776 2.7043 2.9801 3.0539 3.3522 3.5092 3.7244 3.9042 4.0680 4.1655 4.2406 4.2494 4.4934 4.5265 4.6479 4.7633 4.8771 4.9852 5.1824 5.2461 5.2712 5.4276 5.5677 5.7285 5.8693 5.9882 6.0726 6.1932 6.3470 6.4726 6.5128 6.6524 6.7833 6.9916 7.0645 7.1633 7.2952 7.3805 7.4946 7.5834 7.6297 7.7089 7.7526 7.8931 8.0387 8.0994 8.1753 8.2766 8.3940 8.4727 8.5235 8.6328 8.7126 8.9906 9.0579 9.1645 9.2006 9.4159 9.5442 9.6504 9.7490 9.8001 9.8807 9.9702 10.0096 10.0330 10.1813 10.3370 10.5151 10.5870 10.6978 10.7737 10.9417 11.0813 11.1591 11.2345 11.3247 11.3910 11.4027 11.5450 11.6043 11.6571 11.7025 11.7846 11.8127 11.9509 11.9945 12.0150 12.1888 12.2381 12.3694 12.4545 12.5443 12.6213 12.6282 12.6431 12.8255 12.8983 13.0084 13.1051 13.2015 13.3912 13.4627 13.5315 13.5574 13.6498 13.8057 13.8424 13.9199 13.9950 14.0800 14.1767 14.3510 14.4203 14.4802 14.5502 14.7798 14.8912 14.9924 15.0434 15.0984 15.1673 15.2188 15.2573 15.4454 15.4706 15.5598 15.5997 15.7916 15.8928 15.9843 16.0936 16.1628 16.1922 16.2900 16.3541 16.4629 16.5792 16.7101 16.7965 16.9109 17.1194 17.3198 17.3870 17.5501 17.6960 17.8312 17.9345 18.0580 18.2109 18.4116 18.4563 18.6405 18.8543 18.9576 19.0685 19.2766 19.4612 19.5949 19.7419 19.8108 19.9858 20.0341 20.1485 20.2608 20.3200 20.4032 20.5712 20.6518 20.8422 20.8946 21.0773 21.2218 21.3156 21.3616 21.4219 21.6152 21.7771 21.8837 21.9299 22.1889 22.2521 22.3887 22.5415 22.6460 22.8068 22.8278 23.0043 23.1562 23.2203 23.3367 23.3774 23.5379 23.6666 23.6935 23.8962 24.2389 24.4071 24.5009 24.5798 24.6743 24.9325 25.1344 25.2161 25.3745 25.7508 25.8223 25.9731 26.1703 26.2388 26.3855 26.5690 26.9220 26.9475 27.1128 27.1361 27.2922 27.3958 27.4340 27.6441 27.9165 28.0338 28.2418 28.3185 28.4743 28.4965 28.7227 28.8841 28.9598 29.0738 29.1402 29.2351 29.2991 29.3921 29.5164 29.6821 29.9653 30.0464 30.1030 30.2747 30.3387 30.4208 30.6145 30.8023 30.9061 31.0055 31.2797 31.3997 31.4846 31.6513 31.7875 31.8351 32.0207 32.1974 32.2240 32.4653 32.5319 32.6278 32.7433 33.0586 33.2225 33.2706 33.3879 33.5920 33.7165 33.9059 34.0455 34.2189 34.3093 34.5058 34.7041 34.8414 35.0411 35.1598 35.2477 35.3529 35.4412 35.6905 35.7442 35.8487 35.9624 36.1452 36.2094 36.2688 36.4052 36.5386 36.5729 36.8202 37.0149 37.1305 37.2396 37.4605 37.5835 37.8343 37.8782 37.9990 38.1595 38.3148 38.3693 38.4171 38.5214 38.6303 38.7523 38.9315 38.9415 39.2039 39.2242 39.3165 39.5309 39.6547 39.8014 40.0268 40.3605 40.4628 40.5404 40.7075 40.8179 41.0047 41.1755 41.3095 41.4895 41.6177 41.7089 41.8824 41.9158 42.1340 42.2068 42.4160 42.6098 42.8033 42.9559 43.0699 43.2075 43.3038 43.4876 43.5331 43.7521 43.7842 43.9080 43.9721 44.0678 44.2045 44.3860 44.4504 44.6391 44.6527 44.8439 45.0602 45.3677 45.4236 45.5710 45.7750 45.8202 46.0004 46.1929 46.2022 46.5443 46.5967 46.9759 47.0599 47.2723 47.3117 47.5668 47.6832 47.8076 48.0022 48.1285 48.3156 48.5067 48.7540 49.0594 49.0979 49.2076 49.5248 49.8029 49.9076 49.9814 50.0513 50.4488 50.6124 50.7092 50.8405 51.0440 51.0907 51.2136 51.3554 51.4271 51.5894 51.7861 51.8662 51.9881 52.1362 52.2830 52.3266 52.4148 52.5446 52.7200 53.0199 53.2005 53.4964 53.7752 53.9585 54.1540 54.4826 54.9127 55.1281 55.2397 55.4783 55.5296 55.7452 56.1381 56.4170 56.5447 56.7527 56.7843 56.9487 57.0228 57.1441 57.4996 57.7170 57.9093 57.9854 58.1352 58.3191 58.3819 58.4915 58.7131 58.8530 59.0668 59.1941 59.2904 59.3491 59.6857 59.7948 59.9826 60.0386 60.3842 60.5303 60.6969 61.1873 61.2852 61.5888 61.6745 61.8800 62.0322 62.2057 62.3682 62.6585 62.8919 62.9644 63.0750 63.2220 63.3433 63.5443 63.8343 63.9399 64.3157 64.4614 64.6754 64.7071 64.8350 64.9412 65.1641 65.2620 65.3348 65.5714 65.8678 65.9531 66.1888 66.3809 66.6240 66.8368 67.0156 67.1896 67.4648 67.5959 67.8076 67.8903 68.3022 68.5693 68.7793 68.8363 68.9661 69.3919 69.5385 69.9597 70.1605 70.5242 70.6414 71.0545 71.4381 71.6532 71.8122 71.8397 72.3595 72.6008 72.7471 72.8189 73.0535 73.3440 73.5371 73.9078 74.1088 74.3646 74.4453 74.5222 74.7155 74.7429 75.0786 75.2779 75.7215 75.7533 76.1584 76.2472 76.5734 76.7851 76.8817 76.9756 77.1353 77.2514 77.3567 77.5355 77.6721 77.9328 78.0113 78.0647 78.1123 78.2996 78.4974 78.6473 78.7784 78.9415 78.9772 79.1365 79.2497 79.3333 79.3615 79.4173 79.6221 79.6992 79.8565 79.9565 80.1935 80.2950 80.5803 80.8787 80.9105 81.1762 81.2307 81.3595 81.5205 81.6919 81.7420 81.8687 81.8904 82.0148 82.1162 82.2898 82.4282 82.6188 82.6785 82.8962 83.0963 83.1629 83.3375 83.4251 83.6368 83.8372 83.9016 84.1217 84.3005 84.4289 84.6460 84.7052 84.7122 84.8231 85.1272 85.2686 85.3020 85.4717 85.5811 85.6150 85.6992 85.7943 85.8152 85.8253 85.9721 86.1369 86.2851 86.3872 86.8027 86.8577 87.2075 87.4253 87.4624 87.5624 87.8559 87.9839 88.0677 88.1490 88.2471 88.3165 88.4790 88.6579 88.7839 88.8196 88.9684 89.0999 89.1218 89.3003 89.3725 89.5361 89.5880 89.7366 89.7961 89.9321 90.1915 90.2415 90.5069 90.6387 90.8150 90.9658 91.0606 91.1091 91.2235 91.2915 91.4657 91.6043 91.9224 92.0785 92.2234 92.3470 92.3713 92.4498 92.6113 92.7223 92.8490 92.9229 93.1818 93.3182 93.3479 93.4433 93.5662 93.5875 93.7163 93.8036 94.2547 94.3197 94.4015 94.4891 94.6247 94.7502 94.8519 94.9950 95.1027 95.3261 95.3815 95.4785 95.5041 95.7751 95.9724 96.1543 96.3004 96.4626 96.5515 96.8116 96.8935 96.9523 97.0463 97.2787 97.3702 97.5431 97.7722 97.7992 97.9340 98.1043 98.2581 98.4082 98.4725 98.6362 98.7613 98.8044 99.2078 99.3207 99.4146 99.6343 99.7485 100.1150 100.3366 100.5660 100.5967 100.8058 100.9560 101.1198 101.2750 101.3840 101.4704 101.6251 101.7952 102.3589 102.4100 102.6282 102.8586 103.1505 103.5693 103.6508 103.8496 104.0591 104.1247 104.3882 104.4641 104.5704 104.5945 104.8392 105.0439 105.1661 105.2711 105.3429 105.4344 105.4493 105.7127 105.8806 106.0329 106.2859 106.3867 106.5216 106.7245 106.8870 106.9458 107.0622 107.3235 107.3881 107.7573 107.8700 107.9389 108.2014 108.5323 108.5871 108.7706 108.8693 109.0946 109.3556 109.5290 109.7263 109.9628 110.2727 110.3613 110.4976 110.5766 110.6762 110.7914 110.8919 111.0988 111.2082 111.2619 111.3723 111.5656 111.9978 112.0440 112.2765 112.5260 112.6264 112.8611 112.9020 113.1554 113.2853 113.4330 113.9334 113.9984 114.1429 114.2335 114.3429 114.4713 114.5427 114.6831 115.2851 115.3892 115.4893 115.6987 115.8266 115.8863 116.0175 116.2291 116.2898 116.4756 116.4969 116.5883 116.8676 116.9933 117.0724 117.2233 117.3532 117.4714 117.5385 117.7011 117.9773 118.0530 118.2817 118.3410 118.4257 118.6174 118.6584 119.0265 119.1621 119.4621 119.6001 119.7344 119.9689 120.0566 120.1236 120.3332 120.6520 120.8001 120.9576 121.3227 121.4048 121.5543 121.7580 121.9571 122.5923 122.6728 123.1933 123.3656 123.4550 123.6881 123.7954 124.1330 124.7988 124.8700 125.0092 125.2807 125.7095 125.8698 126.0212 126.3483 126.5465 126.8139 126.9364 127.2286 127.5441 127.8209 128.0292 128.2047 128.5098 128.5578 128.7924 128.9737 129.1982 129.3056 129.4157 129.6332 130.0231 130.1758 130.3871 130.5636 130.8784 130.9714 131.1405 131.3107 131.4458 131.6660 131.8598 132.0270 132.1115 132.3049 132.6624 132.7823 132.9569 133.7276 133.8954 134.1584 134.4217 134.7814 134.8229 135.2943 135.3821 136.0057 136.2928 136.4921 137.1592 137.4625 137.7398 138.0242 138.0949 138.1668 138.2657 138.6571 138.9041 139.3016 139.8443 140.2998 140.6309 140.8535 141.0117 141.2525 141.5983 142.2835 142.5646 142.7647 142.9202 143.1115 143.6181 143.8973 143.9077 144.0163 144.1282 144.2081 145.0120 145.1799 145.4178 145.8382 145.9490 146.2376 146.2910 146.6937 147.1668 147.1783 147.3182 147.6055 148.0343 148.3388 148.6772 148.7024 149.1950 149.2034 149.4132 149.9757 150.0985 150.2547 150.5014 150.7710 151.1181 151.2273 151.7439 151.9730 152.4004 152.4736 153.1460 153.5411 153.7894 154.4333 154.6365 155.0784 155.3563 156.1211 156.3347 156.8874 157.2092 157.3297 157.4790 158.3563 158.7336 158.8535 159.2657 159.3755 159.4054 160.0028 160.3644 160.9804 161.4720 161.7118 161.9104 162.1905 163.3683 163.7823 164.8300 165.4031 165.8833 168.1189 169.5312 171.0434 172.3587 172.5821 173.8663 174.8037 175.3961 175.9898 178.5874 179.1866 181.3294 182.1908 183.6095 184.5017 185.7708 186.5837 189.0111 189.3121 189.3398 189.5724 190.4192 192.3941 192.8186 193.4450 195.9599 196.2401 196.5811 198.6597 200.2743 200.4088 204.6231 205.2775 206.4541 207.0260 213.2923 221.2843 221.6275 222.3495 222.8515 222.8739 223.4703 225.6867 225.9098 227.8367 229.2937 229.7877 236.0535 241.1770 247.8845 249.0978 294.4392 294.7030 295.6408 297.0371 308.4940 313.3045 608.7371 617.6267 620.5447 625.3295 628.5836 629.5551 631.0497 632.3210 633.6694 633.8774 635.0337 635.1852 635.8145 636.4287 636.6685 639.0950 641.7273 642.7502 646.9332 650.0924 655.4978 658.0525 702.1407 708.0054 876.9305 1200.1872 1212.8726 1215.4253 1563.2552 -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 -0.038335 -0.043112 -0.184050 -0.261801 -0.383895 -0.284461 -0.003331 0.063809 0.045785 -0.100715 -0.239447 -0.246825 -0.201278 0.364675 0.047698 0.326103 -0.043966 -0.265383 -0.156871 -0.117701 0.171664 -0.144147 0.191676 0.196895 -0.156102 -0.145713 -0.121649 -0.115053 -0.114632 0.088468 0.081881 0.094083 0.099652 0.073272 0.088802 0.102554 0.090462 0.097689 0.120855 0.128506 0.121662 0.126473 0.125945 0.132569 0.127746 0.130471 0.129076 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 17.0383 17.0431 9.1841 8.2618 8.3839 8.2845 7.0033 5.9362 5.9542 6.1007 6.2394 6.2468 6.2013 5.6353 5.9523 5.6739 6.0440 6.2654 6.1569 6.1177 5.8283 6.1441 5.8083 5.8031 6.1561 6.1457 6.1216 6.1151 6.1146 0.9115 0.9181 0.9059 0.9003 0.9267 0.9112 0.8974 0.9095 0.9023 0.8791 0.8715 0.8783 0.8735 0.8741 0.8674 0.8723 0.8695 0.8709 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 -0.0383 -0.0431 -0.1841 -0.2618 -0.3839 -0.2845 -0.0033 0.0638 0.0458 -0.1007 -0.2394 -0.2468 -0.2013 0.3647 0.0477 0.3261 -0.0440 -0.2654 -0.1569 -0.1177 0.1717 -0.1441 0.1917 0.1969 -0.1561 -0.1457 -0.1216 -0.1151 -0.1146 0.0885 0.0819 0.0941 0.0997 0.0733 0.0888 0.1026 0.0905 0.0977 0.1209 0.1285 0.1217 0.1265 0.1259 0.1326 0.1277 0.1305 0.1291 1.2891 1.2622 1.1175 2.1353 2.1186 2.1196 3.1160 3.7607 3.8263 3.8808 3.9092 3.9136 3.9124 4.2271 4.2520 3.8285 3.7621 4.0288 3.9577 3.9283 3.7800 3.9264 4.0873 3.8426 4.0147 3.9901 3.9458 3.9543 3.9404 1.0480 1.0363 1.0042 1.0032 1.0101 1.0018 1.0209 1.0016 1.0300 1.0200 1.0200 1.0191 1.0072 1.0095 1.0044 0.9996 0.9997 0.9996 1.2891 1.2622 1.1175 2.1353 2.1186 2.1196 3.1160 3.7607 3.8263 3.8808 3.9092 3.9136 3.9124 4.2271 4.2520 3.8285 3.7621 4.0288 3.9577 3.9283 3.7800 3.9264 4.0873 3.8426 4.0147 3.9901 3.9458 3.9543 3.9404 1.0480 1.0363 1.0042 1.0032 1.0101 1.0018 1.0209 1.0016 1.0300 1.0200 1.0200 1.0191 1.0072 1.0095 1.0044 0.9996 0.9997 0.9996 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.2004 1.1574 1.0978 1.1441 0.8595 1.9287 1.0682 0.8889 3.0582 0.9040 0.8636 0.9590 0.9655 0.9160 1.0186 0.9867 1.0462 1.0176 0.9886 0.9939 0.9854 0.9902 0.9823 0.9891 1.8666 0.9553 0.9221 0.9203 1.0002 1.3897 1.3975 1.3680 0.9259 1.3909 0.9627 1.3231 1.4854 0.9794 1.4294 1.3966 1.4220 0.9741 1.4326 0.9723 1.4321 0.9725 1.4259 0.9700 0.9741 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 -0.023467676 -2149.938181849527 4.90299 -5.37312 -0.47014 -20.44701 20.30748 -0.13953 14.93455 -13.84180 1.09276 1.19775 3.04445