Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 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 H 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-3.5264,-2.2612,2.4898;-5.1642,-1.0412,.4518;1.7195,-1.6583,-1.3326;1.4509,-2.451,.7436;1.916,3.5397,-1.19;4.3809,-1.041,-3.1962;-.9954,-3.9219,-.5775;-1.4596,-2.7164,.1856;-.3481,-2.575,-.8331;-.2595,-5.0011,.1788;-1.8535,-4.463,-1.6961;-2.7529,-2.068,-.0776;1.0092,-2.244,-.3532;-3.6847,-1.8262,.8363;3.01,-1.1685,-.9759;2.9062,.1786,-.3051;3.766,-1.0989,-2.228;2.4638,1.274,-1.0344;3.184,.3024,1.048;2.3095,2.5007,-.4081;3.0323,1.536,1.6627;2.5981,2.6383,.9463;1.1761,4.5555,-.6507;1.5837,5.856,-.9023;.0209,4.3032,.0783;.824,6.9132,-.4237;-.7228,5.3687,.5601;-.3264,6.6754,.3127;-1.1265,-2.6826,1.2169;-.6085,-2.1134,-1.7791;.4343,-5.5283,-.4783;-.9757,-5.7322,.5566;.3031,-4.6197,1.0265;-1.2512,-5.0624,-2.3798;-2.3332,-3.682,-2.2847;-2.6408,-5.1029,-1.2949;-2.9745,-1.7518,-1.0896;3.5211,-1.875,-.3148;2.2444,1.1906,-2.0922;3.5034,-.5578,1.6203;3.2536,1.6428,2.716;2.4895,3.5961,1.438;2.4848,6.0321,-1.4748;-.2982,3.2853,.2632;1.1407,7.9283,-.6228;-1.6239,5.1733,1.126;-.9139,7.5024,.6876; 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 1585 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 216 Dim 1156 ENuc 2709.4284186040 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.999e-06 Time for diagonalization 0.399 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.305 sec Total time needed 0.719 sec 17 17 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 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-3.5264,-2.2612,2.4898;-5.1642,-1.0412,.4518;1.7195,-1.6583,-1.3326;1.4509,-2.451,.7436;1.916,3.5397,-1.19;4.3809,-1.041,-3.1962;-.9954,-3.9219,-.5775;-1.4596,-2.7164,.1856;-.3481,-2.575,-.8331;-.2595,-5.0011,.1788;-1.8535,-4.463,-1.6961;-2.7529,-2.068,-.0776;1.0092,-2.244,-.3532;-3.6847,-1.8262,.8363;3.01,-1.1685,-.9759;2.9062,.1786,-.3051;3.766,-1.0989,-2.228;2.4638,1.274,-1.0344;3.184,.3024,1.048;2.3095,2.5007,-.4081;3.0323,1.536,1.6627;2.5981,2.6383,.9463;1.1761,4.5555,-.6507;1.5837,5.856,-.9023;.0209,4.3032,.0783;.824,6.9132,-.4237;-.7228,5.3687,.5601;-.3264,6.6754,.3127;-1.1265,-2.6826,1.2169;-.6085,-2.1134,-1.7791;.4343,-5.5283,-.4783;-.9757,-5.7322,.5566;.3031,-4.6197,1.0265;-1.2512,-5.0624,-2.3798;-2.3332,-3.682,-2.2847;-2.6408,-5.1029,-1.2949;-2.9745,-1.7518,-1.0896;3.5211,-1.875,-.3148;2.2444,1.1906,-2.0922;3.5034,-.5578,1.6203;3.2536,1.6428,2.716;2.4895,3.5961,1.438;2.4848,6.0321,-1.4748;-.2982,3.2853,.2632;1.1407,7.9283,-.6228;-1.6239,5.1733,1.126;-.9139,7.5024,.6876; 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 4 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-3.5264,-2.2612,2.4898;-5.1642,-1.0412,.4518;1.7195,-1.6583,-1.3326;1.4509,-2.451,.7436;1.916,3.5397,-1.19;4.3809,-1.041,-3.1962;-.9954,-3.9219,-.5775;-1.4596,-2.7164,.1856;-.3481,-2.575,-.8331;-.2595,-5.0011,.1788;-1.8535,-4.463,-1.6961;-2.7529,-2.068,-.0776;1.0092,-2.244,-.3532;-3.6847,-1.8262,.8363;3.01,-1.1685,-.9759;2.9062,.1786,-.3051;3.766,-1.0989,-2.228;2.4638,1.274,-1.0344;3.184,.3024,1.048;2.3095,2.5007,-.4081;3.0323,1.536,1.6627;2.5981,2.6383,.9463;1.1761,4.5555,-.6507;1.5837,5.856,-.9023;.0209,4.3032,.0783;.824,6.9132,-.4237;-.7228,5.3687,.5601;-.3264,6.6754,.3127;-1.1265,-2.6826,1.2169;-.6085,-2.1134,-1.7791;.4343,-5.5283,-.4783;-.9757,-5.7322,.5566;.3031,-4.6197,1.0265;-1.2512,-5.0624,-2.3798;-2.3332,-3.682,-2.2847;-2.6408,-5.1029,-1.2949;-2.9745,-1.7518,-1.0896;3.5211,-1.875,-.3148;2.2444,1.1906,-2.0922;3.5034,-.5578,1.6203;3.2536,1.6428,2.716;2.4895,3.5961,1.438;2.4848,6.0321,-1.4748;-.2982,3.2853,.2632;1.1407,7.9283,-.6228;-1.6239,5.1733,1.126;-.9139,7.5024,.6876; -2050.66121355 2709.42841860 -4760.08963216 -8194.10047098 3434.01083883 -4095.19836054 2044.53714699 2.00299533 107.999898117094 107.999898117094 215.999796234188 -151.870558737298 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.7739 -2765.7249 -525.3457 -524.7269 -523.4602 -392.7560 -283.7991 -283.0263 -283.0121 -281.8863 -281.6754 -280.9887 -280.9688 -280.7012 -280.6858 -280.6736 -280.6448 -280.2279 -280.1542 -280.1510 -280.1050 -280.0742 -280.0564 -280.0066 -279.9487 -279.8950 -279.8735 -279.6565 -261.0423 -260.9927 -199.8852 -199.8378 -199.6382 -199.6293 -199.5853 -199.5806 -34.2652 -33.1629 -31.6782 -28.6266 -28.2588 -27.9780 -27.3647 -26.8588 -26.1387 -25.5378 -24.4531 -24.3818 -23.9249 -23.8336 -23.3491 -23.2371 -22.4162 -21.4485 -20.7674 -20.3785 -19.9706 -19.4587 -19.1822 -18.7533 -18.4779 -18.3073 -17.6530 -17.1993 -17.1489 -16.6409 -16.4720 -16.3892 -16.2498 -16.0882 -15.9877 -15.5552 -15.2927 -15.1299 -15.0882 -14.8176 -14.5902 -14.5543 -14.2805 -14.1968 -14.1077 -14.0709 -13.8689 -13.6320 -13.3796 -13.2733 -13.1962 -13.1304 -12.9633 -12.7773 -12.7060 -12.4954 -12.3729 -12.2324 -12.1369 -12.0770 -11.9232 -11.8272 -11.5981 -11.5120 -11.3115 -10.9318 -10.6307 -9.8704 -9.6285 -9.5376 -9.1404 -8.6752 0.7746 1.2317 1.3078 1.5203 1.8396 1.8860 2.4309 2.6090 2.7047 2.9989 3.1297 3.3889 3.5654 3.7743 3.9328 4.0114 4.1785 4.3514 4.4475 4.5158 4.5522 4.5862 4.8289 4.9031 4.9955 5.0545 5.2117 5.4482 5.5144 5.6817 5.7846 5.8766 5.9191 6.0175 6.0341 6.3281 6.3615 6.4723 6.7386 6.9029 6.9891 7.2071 7.2803 7.3084 7.4094 7.5378 7.5774 7.6974 7.8179 7.8441 7.9352 8.0029 8.0282 8.1519 8.2054 8.3088 8.4549 8.5113 8.6268 8.7434 8.8431 9.0143 9.1596 9.2551 9.4263 9.4439 9.5113 9.6278 9.7666 9.8897 9.9070 9.9396 10.0829 10.2147 10.3116 10.4748 10.5258 10.6852 10.8049 10.8838 11.0220 11.0318 11.0971 11.1630 11.3398 11.3777 11.5217 11.6026 11.6597 11.7977 11.8451 11.9424 11.9978 12.0592 12.2057 12.2794 12.4389 12.4594 12.5575 12.6953 12.7477 12.7983 12.8726 12.9208 12.9839 13.0597 13.1545 13.2327 13.3667 13.4682 13.5355 13.5718 13.6466 13.7584 13.8359 13.9046 13.9578 14.1397 14.1722 14.2370 14.4447 14.5354 14.5806 14.6346 14.7466 14.8155 15.0529 15.1225 15.1682 15.2641 15.4210 15.4969 15.5683 15.6753 15.7176 15.8207 15.8816 15.9236 15.9926 16.0813 16.1732 16.3566 16.4457 16.4605 16.5463 16.7493 16.9760 17.1130 17.1967 17.2745 17.4410 17.5014 17.6983 17.7517 17.8555 18.0206 18.2603 18.4354 18.5167 18.7465 18.7838 18.9084 19.1263 19.1624 19.4379 19.6423 19.7372 19.8761 19.9347 20.0289 20.1920 20.3115 20.3785 20.4526 20.5908 20.8532 20.9118 20.9746 21.1137 21.1915 21.2758 21.3627 21.5212 21.5978 21.7321 21.7699 21.8884 22.0411 22.2172 22.3440 22.6034 22.6951 22.9448 23.1395 23.2587 23.2947 23.3238 23.4678 23.8050 23.8388 23.9674 24.1590 24.2860 24.4594 24.5202 24.6482 24.7927 24.9677 25.0122 25.0478 25.2611 25.6446 25.7559 25.9420 26.2434 26.4064 26.5108 26.6140 26.7087 26.8698 26.9762 27.0702 27.2580 27.2710 27.4550 27.6541 27.7625 28.0828 28.2215 28.3296 28.4252 28.5334 28.6097 28.8184 28.9570 29.1062 29.1827 29.3949 29.5024 29.5826 29.7405 29.8046 29.9634 30.0689 30.1931 30.2767 30.3821 30.5846 30.7735 30.9222 31.0659 31.1806 31.3838 31.5691 31.6384 31.7165 31.8106 32.0083 32.2342 32.3653 32.4485 32.6946 32.7037 32.7425 33.1120 33.1963 33.2986 33.4790 33.6573 33.7668 33.8375 33.9877 34.0470 34.2640 34.3670 34.7738 34.8159 34.8998 35.0400 35.2012 35.2940 35.4304 35.4648 35.7509 35.9468 35.9580 36.1718 36.3440 36.4959 36.5345 36.6672 36.7257 36.9316 37.0319 37.1161 37.3138 37.4199 37.4681 37.7352 37.7661 37.8858 38.0103 38.1098 38.3493 38.4073 38.6106 38.6773 38.7707 38.8829 39.1125 39.2268 39.2868 39.3527 39.5145 39.5402 39.7111 40.0590 40.2948 40.3218 40.4045 40.5503 40.7240 40.8100 40.9786 41.1112 41.2971 41.5467 41.6623 41.8536 41.9294 41.9813 42.0444 42.3380 42.4532 42.5906 42.9750 43.0459 43.1151 43.2178 43.3408 43.5125 43.5803 43.7086 43.8450 43.8852 44.0025 44.1086 44.1356 44.2266 44.3996 44.6727 44.7717 44.9268 45.2140 45.3198 45.5031 45.5598 45.7596 45.8697 46.0746 46.3240 46.3971 46.6423 46.7196 46.9037 46.9792 47.2209 47.3192 47.4631 47.7045 47.8590 48.1108 48.1600 48.3720 48.4794 48.5528 48.6881 49.0238 49.2622 49.4203 49.4891 49.6581 49.8565 50.0236 50.0955 50.3846 50.6095 50.7484 50.8387 51.0976 51.2056 51.3536 51.4375 51.5177 51.8056 51.8450 51.9649 52.2720 52.3107 52.4148 52.5091 52.6615 52.8618 53.0089 53.1947 53.2700 53.7269 54.1666 54.2936 54.6274 54.8705 55.0870 55.1282 55.2862 55.6710 55.9023 56.0327 56.1222 56.2548 56.4736 56.7718 56.8480 56.9576 57.2814 57.4484 57.4981 57.9186 57.9919 58.0877 58.2431 58.3843 58.4540 58.6960 58.8751 59.0938 59.2341 59.3770 59.5079 59.6553 59.7928 59.8926 60.0027 60.2650 60.5553 60.7803 61.1446 61.4300 61.5898 61.7722 61.9164 62.1843 62.3572 62.7055 62.9533 63.0354 63.0644 63.2332 63.3262 63.6333 63.7414 63.9071 64.1474 64.2384 64.6600 64.7203 64.9302 65.0201 65.3028 65.4018 65.5132 65.8374 65.9756 66.1620 66.2675 66.4303 66.9829 67.0778 67.2634 67.4178 67.5631 67.6926 67.9628 68.0991 68.3768 68.5975 68.8375 69.0001 69.2393 69.5872 69.6168 69.8026 70.2548 70.8513 71.2014 71.4825 71.5559 71.7681 71.9540 72.0634 72.5149 72.7707 72.8725 73.5236 73.6725 73.7649 74.0423 74.1545 74.2924 74.4468 74.6561 74.7851 74.8479 75.1593 75.3583 75.6317 75.9631 76.0040 76.2925 76.4770 76.6711 76.6776 76.8411 77.1271 77.1813 77.3112 77.4559 77.7444 77.8387 77.9867 78.0468 78.1733 78.2071 78.4424 78.6410 78.7555 78.7944 79.0237 79.0415 79.1185 79.2938 79.3751 79.3866 79.6041 79.7250 79.8481 80.2327 80.3970 80.4341 80.7384 80.8418 81.1899 81.2517 81.3417 81.4815 81.6965 81.8327 82.0612 82.1509 82.2524 82.3684 82.5263 82.6226 82.6772 82.8958 83.0309 83.0800 83.3044 83.3731 83.4129 83.7969 84.0769 84.1447 84.2975 84.4050 84.5236 84.6475 84.8014 84.9396 84.9753 85.0946 85.2031 85.3127 85.3431 85.4768 85.5296 85.6415 85.7146 85.8217 86.0138 86.1548 86.2381 86.3772 86.5587 86.8084 86.9044 87.0170 87.2885 87.3612 87.6495 87.8674 87.8769 87.9771 88.2139 88.3700 88.4701 88.5445 88.6101 88.7534 88.8715 88.9059 89.0732 89.2119 89.2680 89.5136 89.5417 89.5935 89.7726 89.8643 89.9548 90.1434 90.3444 90.5301 90.7989 90.8522 90.9377 91.0370 91.1317 91.2962 91.5264 91.7211 91.9513 91.9920 92.2179 92.3331 92.3844 92.5472 92.6014 92.7228 92.8666 92.9622 93.0540 93.1600 93.2262 93.3867 93.4597 93.5418 93.5819 93.7568 93.9040 94.2163 94.3347 94.4164 94.4624 94.6657 94.7931 94.8268 95.0199 95.1364 95.2037 95.2744 95.3592 95.4078 95.7940 95.9369 96.0837 96.4319 96.5074 96.6856 96.7404 96.7999 96.9772 97.1300 97.3236 97.4119 97.5192 97.6226 97.7781 97.9624 98.1866 98.2928 98.3342 98.4379 98.6137 98.7754 98.8204 98.9417 99.1205 99.5030 99.5467 99.6108 100.0004 100.1511 100.3146 100.4426 100.5453 101.0301 101.1021 101.2720 101.4616 101.7383 101.9474 102.3037 102.4694 102.6462 102.6613 103.0842 103.3112 103.6040 103.6784 103.8797 103.9612 104.1799 104.5083 104.5663 104.6927 104.8686 105.0939 105.2429 105.3653 105.4250 105.4615 105.5606 105.6006 105.8287 105.9668 106.0566 106.1346 106.4315 106.4478 106.7152 106.7513 107.0177 107.1150 107.2646 107.4756 107.6629 107.7960 108.0928 108.2345 108.3258 108.7167 108.9481 108.9886 109.1429 109.2190 109.4242 109.6575 109.7577 110.0322 110.1462 110.4366 110.6231 110.6341 110.7014 110.7255 110.7574 110.8728 111.2426 111.4641 111.5947 111.7161 111.9522 112.1281 112.3036 112.5081 112.8486 112.9206 113.1921 113.3004 113.3532 113.6196 113.7512 113.9211 114.1539 114.3022 114.3481 114.6974 114.7548 114.8255 115.0979 115.2426 115.3389 115.6873 115.9438 116.0549 116.1521 116.2764 116.3637 116.5469 116.7187 116.7691 116.9488 117.0163 117.2875 117.3954 117.4682 117.6861 117.7358 117.7845 118.1759 118.2853 118.3416 118.3978 118.5349 118.6975 118.9076 119.1155 119.4205 119.5527 119.7902 119.8774 119.8991 120.0955 120.2709 120.4831 120.5867 120.6043 120.8865 121.2930 121.5051 121.7530 121.8463 122.1198 122.3888 122.7103 122.9281 122.9898 123.2772 123.4110 123.7044 124.0004 124.2270 124.4515 125.1120 125.3662 125.4873 125.8175 125.9881 126.3729 126.4614 126.6244 126.9586 127.3228 127.7378 127.8876 127.9387 128.3953 128.6863 128.7408 128.8624 129.1132 129.1489 129.2293 129.6693 129.6791 130.0540 130.1854 130.2519 130.4672 130.6202 130.9294 131.0281 131.3333 131.5700 131.8117 131.8544 132.1738 132.3845 132.5069 132.7054 132.9125 132.9889 133.0510 133.9272 134.1408 134.3006 134.6293 134.6432 134.9079 135.2190 135.4611 135.9270 136.0697 136.5626 136.8683 137.1444 137.8159 137.9450 138.0816 138.2016 138.3192 138.6451 138.7942 139.0394 139.4127 139.9212 140.2638 140.4724 141.0004 141.0588 141.5102 141.7953 141.8911 142.6926 142.8762 143.3194 143.9282 144.0105 144.0340 144.0794 144.2444 144.3509 144.9577 145.0593 145.3330 145.3944 145.8260 145.9184 145.9691 146.3941 146.6591 146.8657 147.1089 147.4519 147.6029 147.9200 148.0671 148.1504 148.6955 148.7870 149.1647 149.4631 149.7831 149.8474 150.0947 150.3434 150.8589 151.0985 151.6444 151.8883 151.9638 152.2663 152.6836 153.2412 153.5537 154.2919 154.4479 154.8726 155.1370 155.8312 156.0736 156.4584 156.8583 157.0320 157.1881 157.3752 157.6406 158.4217 158.8660 159.0979 159.2244 159.3482 159.4114 160.3898 160.6557 161.0911 161.6273 162.1454 162.2843 162.8433 163.9943 164.5042 165.4719 167.0779 168.0409 169.2113 169.4343 172.2515 172.3965 172.8181 173.0081 174.0702 175.7268 177.4455 178.7811 179.1636 180.9649 182.2413 184.9980 186.1782 186.5845 187.2756 188.9369 189.8456 191.9546 192.2703 193.5454 195.8976 196.4484 198.8092 201.9310 204.8292 206.4382 206.6582 221.2669 221.6763 222.3263 222.8322 222.9455 223.4367 225.7200 225.9068 227.8291 229.2973 294.4335 294.6640 295.5990 297.0059 308.5057 313.3252 608.3975 617.8911 620.8060 626.0101 628.7905 631.0731 631.3564 632.1926 633.9269 634.3839 634.9670 635.1956 636.5244 636.6873 637.3085 638.8838 642.0031 643.1493 646.9505 650.1603 657.2186 658.0602 702.2830 708.0139 876.6393 1200.0225 1212.4705 1215.0565 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 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 H -0.038925 -0.042756 -0.261700 -0.381807 -0.294355 -0.001136 0.074665 0.033504 -0.105582 -0.250493 -0.232640 -0.198028 0.357867 0.043235 0.330384 0.002789 -0.263439 -0.199199 -0.119792 0.196112 -0.114438 -0.146345 0.220030 -0.193882 -0.154834 -0.098598 -0.118399 -0.136017 0.092035 0.081345 0.089390 0.089537 0.101873 0.095866 0.071933 0.099105 0.102516 0.119254 0.121487 0.116013 0.130009 0.135579 0.128800 0.134455 0.127308 0.129501 0.127774 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 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 H 17.0389 17.0428 8.2617 8.3818 8.2944 7.0011 5.9253 5.9665 6.1056 6.2505 6.2326 6.1980 5.6421 5.9568 5.6696 5.9972 6.2634 6.1992 6.1198 5.8039 6.1144 6.1463 5.7800 6.1939 6.1548 6.0986 6.1184 6.1360 0.9080 0.9187 0.9106 0.9105 0.8981 0.9041 0.9281 0.9009 0.8975 0.8807 0.8785 0.8840 0.8700 0.8644 0.8712 0.8655 0.8727 0.8705 0.8722 17.0000 17.0000 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 1.0000 -0.0389 -0.0428 -0.2617 -0.3818 -0.2944 -0.0011 0.0747 0.0335 -0.1056 -0.2505 -0.2326 -0.1980 0.3579 0.0432 0.3304 0.0028 -0.2634 -0.1992 -0.1198 0.1961 -0.1144 -0.1463 0.2200 -0.1939 -0.1548 -0.0986 -0.1184 -0.1360 0.0920 0.0813 0.0894 0.0895 0.1019 0.0959 0.0719 0.0991 0.1025 0.1193 0.1215 0.1160 0.1300 0.1356 0.1288 0.1345 0.1273 0.1295 0.1278 1.2884 1.2632 2.1388 2.1210 2.1091 3.1175 3.7541 3.8139 3.8936 3.9144 3.9077 3.9008 4.2279 4.2458 3.8221 3.6760 4.0248 4.0894 3.9846 3.9064 3.9733 3.9355 3.8172 4.0335 3.9516 3.9360 3.9471 3.9535 1.0455 1.0375 1.0019 1.0021 1.0207 1.0045 1.0092 1.0035 1.0255 1.0182 1.0289 1.0203 1.0009 1.0032 1.0123 1.0026 0.9988 0.9995 0.9998 1.2884 1.2632 2.1388 2.1210 2.1091 3.1175 3.7541 3.8139 3.8936 3.9144 3.9077 3.9008 4.2279 4.2458 3.8221 3.6760 4.0248 4.0894 3.9846 3.9064 3.9733 3.9355 3.8172 4.0335 3.9516 3.9360 3.9471 3.9535 1.0455 1.0375 1.0019 1.0021 1.0207 1.0045 1.0092 1.0035 1.0255 1.0182 1.0289 1.0203 1.0009 1.0032 1.0123 1.0026 0.9988 0.9995 0.9998 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.2035 1.1594 1.1391 0.8727 1.9301 0.9996 0.9307 3.0585 0.8931 0.8646 0.9660 0.9612 0.9248 1.0100 0.9864 1.0441 1.0210 0.9911 0.9888 0.9822 0.9894 0.9819 0.9941 1.8607 0.9602 0.9171 0.9212 0.9993 1.4129 1.3590 1.4608 0.9458 1.4599 0.9707 1.3620 1.4378 0.9705 0.9592 1.4292 1.3750 1.4351 0.9702 1.4350 0.9656 1.4290 0.9741 1.4298 0.9715 0.9762 0 13 1 13 2 12 2 14 3 12 4 19 4 22 5 16 6 7 6 8 6 9 6 10 7 8 7 11 7 28 8 12 8 29 9 30 9 31 9 32 10 33 10 34 10 35 11 13 11 36 14 15 14 16 14 37 15 17 15 18 17 19 17 38 18 20 18 39 19 21 20 21 20 40 21 41 22 23 22 24 23 25 23 42 24 26 24 43 25 27 25 44 26 27 26 45 27 46 -0.022904302 -2050.684117854920 15.18573 -15.99571 -0.80999 0.84799 -0.71416 0.13383 -5.93273 6.71890 0.78617 1.13668 2.88922