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:3.257,-1.1528,-1.678;4.804,-.4459,.6543;-1.7466,-1.4749,-.1069;-2.2603,-1.837,2.0371;-1.2129,3.5998,.1573;-3.4679,-1.071,-2.8926;.611,-3.3934,.5039;1.0399,-1.9646,.325;-.051,-2.296,1.3147;-.1117,-4.0716,-.6339;1.5016,-4.3334,1.2795;2.3346,-1.4654,.8206;-1.455,-1.8577,1.1509;3.3311,-1.0817,.0337;-3.043,-.9377,-.3173;-3.1489,.4913,.1618;-3.2679,-1.0164,-1.7629;-2.0953,1.3647,-.0795;-4.2934,.9201,.8099;-2.1941,2.6816,.3455;-4.3885,2.2464,1.2099;-3.3477,3.1269,.9854;.0391,3.1603,-.1941;.8879,2.6546,.7795;.4446,3.2502,-1.5153;2.1601,2.2379,.4208;1.7206,2.8294,-1.8628;2.5793,2.3213,-.8996;.7077,-1.5078,-.6003;.2278,-2.2899,2.3631;-.7985,-4.8324,-.2586;.6131,-4.5728,-1.2769;-.6773,-3.3844,-1.2576;.9236,-5.1764,1.6605;1.9855,-3.8558,2.1309;2.2882,-4.7303,.636;2.4921,-1.3884,1.8896;-3.8031,-1.55,.1791;-1.2077,1.0187,-.5934;-5.1018,.2293,1.011;-5.2785,2.5929,1.7176;-3.413,4.1581,1.306;.5546,2.5962,1.8078;-.2334,3.6462,-2.26;2.83,1.8492,1.176;2.0416,2.8972,-2.8937;3.5724,1.9925,-1.1734; 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 2927.8014053273 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 6.560e-06 Time for diagonalization 0.286 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.288 sec Total time needed 0.581 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:3.257,-1.1528,-1.678;4.804,-.4459,.6543;-1.7466,-1.4749,-.1069;-2.2603,-1.837,2.0371;-1.2129,3.5998,.1573;-3.4679,-1.071,-2.8926;.611,-3.3934,.5039;1.0399,-1.9646,.325;-.051,-2.296,1.3147;-.1117,-4.0716,-.6339;1.5016,-4.3334,1.2795;2.3346,-1.4654,.8206;-1.455,-1.8577,1.1509;3.3311,-1.0817,.0337;-3.043,-.9377,-.3173;-3.1489,.4913,.1618;-3.2679,-1.0164,-1.7629;-2.0953,1.3647,-.0795;-4.2934,.9201,.8099;-2.1941,2.6816,.3455;-4.3885,2.2464,1.2099;-3.3477,3.1269,.9854;.0391,3.1603,-.1941;.8879,2.6546,.7795;.4446,3.2502,-1.5153;2.1601,2.2379,.4208;1.7206,2.8294,-1.8628;2.5793,2.3213,-.8996;.7077,-1.5078,-.6003;.2278,-2.2899,2.3631;-.7985,-4.8324,-.2586;.6131,-4.5728,-1.2769;-.6773,-3.3844,-1.2576;.9236,-5.1764,1.6605;1.9855,-3.8558,2.1309;2.2882,-4.7303,.636;2.4921,-1.3884,1.8896;-3.8031,-1.55,.1791;-1.2077,1.0187,-.5934;-5.1018,.2293,1.011;-5.2785,2.5929,1.7176;-3.413,4.1581,1.306;.5546,2.5962,1.8078;-.2334,3.6462,-2.26;2.83,1.8492,1.176;2.0416,2.8972,-2.8937;3.5724,1.9925,-1.1734; 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:3.257,-1.1528,-1.678;4.804,-.4459,.6543;-1.7466,-1.4749,-.1069;-2.2603,-1.837,2.0371;-1.2129,3.5998,.1573;-3.4679,-1.071,-2.8926;.611,-3.3934,.5039;1.0399,-1.9646,.325;-.051,-2.296,1.3147;-.1117,-4.0716,-.6339;1.5016,-4.3334,1.2795;2.3346,-1.4654,.8206;-1.455,-1.8577,1.1509;3.3311,-1.0817,.0337;-3.043,-.9377,-.3173;-3.1489,.4913,.1618;-3.2679,-1.0164,-1.7629;-2.0953,1.3647,-.0795;-4.2934,.9201,.8099;-2.1941,2.6816,.3455;-4.3885,2.2464,1.2099;-3.3477,3.1269,.9854;.0391,3.1603,-.1941;.8879,2.6546,.7795;.4446,3.2502,-1.5153;2.1601,2.2379,.4208;1.7206,2.8294,-1.8628;2.5793,2.3213,-.8996;.7077,-1.5078,-.6003;.2278,-2.2899,2.3631;-.7985,-4.8324,-.2586;.6131,-4.5728,-1.2769;-.6773,-3.3844,-1.2576;.9236,-5.1764,1.6605;1.9855,-3.8558,2.1309;2.2882,-4.7303,.636;2.4921,-1.3884,1.8896;-3.8031,-1.55,.1791;-1.2077,1.0187,-.5934;-5.1018,.2293,1.011;-5.2785,2.5929,1.7176;-3.413,4.1581,1.306;.5546,2.5962,1.8078;-.2334,3.6462,-2.26;2.83,1.8492,1.176;2.0416,2.8972,-2.8937;3.5724,1.9925,-1.1734; -2050.65791901 2927.80140533 -4978.45932433 -8630.72089912 3652.26157479 -4095.20191736 2044.54399835 2.00299036 108.000118581429 108.000118581429 216.000237162859 -151.873934321919 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 -2765.8828 -2765.8688 -525.3614 -524.6832 -523.4119 -392.7584 -283.7746 -283.0944 -283.0388 -281.8770 -281.5970 -281.0067 -280.9760 -280.7220 -280.7066 -280.7008 -280.6633 -280.1761 -280.0937 -280.0581 -280.0570 -280.0388 -280.0129 -280.0025 -279.9893 -279.9125 -279.8753 -279.7353 -261.1486 -261.1357 -199.9922 -199.9786 -199.7436 -199.7365 -199.7315 -199.7233 -34.3033 -33.1150 -31.6604 -28.7331 -28.2730 -28.0159 -27.3028 -26.8622 -26.2576 -25.4858 -24.4431 -24.2730 -23.9139 -23.8762 -23.5014 -23.0971 -22.4541 -21.4360 -20.8058 -20.1704 -20.0154 -19.4610 -19.2974 -19.0204 -18.4718 -18.3264 -17.7709 -17.1185 -16.9385 -16.6636 -16.4691 -16.3409 -16.2094 -16.0550 -15.9606 -15.6888 -15.3211 -15.2205 -15.0706 -14.8637 -14.5951 -14.5540 -14.3362 -14.3089 -14.1720 -13.9457 -13.8280 -13.6133 -13.4603 -13.2616 -13.1949 -13.0081 -12.8741 -12.8061 -12.7055 -12.4949 -12.4018 -12.2275 -12.1906 -12.1429 -11.9496 -11.7677 -11.7198 -11.5116 -11.4144 -10.8436 -10.6742 -9.8170 -9.6077 -9.3598 -9.1944 -8.8279 0.8513 1.1522 1.4651 1.5134 1.6922 1.8067 2.3125 2.4838 2.6764 2.9172 3.1014 3.3787 3.4866 3.5936 3.8385 3.9318 4.1095 4.1918 4.3156 4.4465 4.5888 4.7311 4.9082 4.9743 4.9874 5.0862 5.2981 5.4941 5.6958 5.7386 5.8024 5.8724 5.9145 6.0554 6.2252 6.2832 6.4863 6.6361 6.6677 6.8140 7.0240 7.0625 7.1872 7.2419 7.4807 7.5109 7.6256 7.7538 7.8576 7.8644 7.9828 8.1271 8.2251 8.3735 8.3854 8.4464 8.5765 8.6204 8.6776 8.9792 9.0382 9.1317 9.1562 9.3300 9.3653 9.5887 9.6983 9.7736 9.9147 9.9962 10.0714 10.1553 10.2841 10.3318 10.5924 10.6968 10.7646 10.8568 10.9947 11.1403 11.2182 11.2483 11.3277 11.3902 11.4707 11.5903 11.6575 11.7182 11.7905 11.9514 12.0218 12.0825 12.2319 12.3161 12.4056 12.5480 12.5708 12.6645 12.7166 12.7996 12.8785 12.9913 13.0984 13.1912 13.2838 13.3642 13.4537 13.5774 13.7383 13.7805 13.8025 13.8885 13.9736 14.0093 14.1666 14.2373 14.2958 14.4715 14.5110 14.6194 14.6620 14.7359 14.8591 15.0909 15.1195 15.1901 15.2605 15.3528 15.3762 15.4305 15.6219 15.6672 15.7522 15.9319 15.9490 16.1671 16.1835 16.3581 16.4369 16.5217 16.5927 16.8709 16.9514 17.0920 17.1689 17.2450 17.3195 17.3549 17.5687 17.7697 17.8374 17.8863 17.9650 18.2721 18.3315 18.3721 18.5710 18.7232 18.7941 19.0779 19.3643 19.3998 19.5125 19.5859 19.8931 20.0004 20.0433 20.1518 20.3510 20.4333 20.5907 20.7192 20.7491 20.8004 20.8821 21.0257 21.0722 21.2560 21.3224 21.6095 21.6487 21.7545 22.0737 22.1652 22.3630 22.4276 22.5017 22.6046 22.7589 22.8741 22.9009 23.0755 23.1448 23.2825 23.4809 23.6122 23.7714 23.8160 24.0632 24.1260 24.2636 24.4255 24.4927 24.7568 24.8622 25.1183 25.2173 25.3100 25.3868 25.6959 25.7543 26.0010 26.0904 26.1572 26.4050 26.5293 26.6433 26.7522 26.9145 27.0872 27.1417 27.5252 27.6699 27.7714 27.8334 27.9963 28.1099 28.4784 28.5315 28.6866 28.6946 28.7550 28.9167 29.1279 29.3197 29.4051 29.4462 29.5772 29.7296 29.7682 30.1134 30.2455 30.2834 30.4219 30.5709 30.8779 31.0525 31.1507 31.3772 31.4703 31.7107 31.8022 31.9545 32.0843 32.1757 32.2821 32.3904 32.5366 32.6589 32.8201 32.9093 33.0389 33.1372 33.2117 33.3753 33.5151 33.6750 33.8232 33.8857 33.9927 34.1557 34.1972 34.3809 34.7314 34.9888 35.1120 35.1567 35.2439 35.4246 35.4608 35.5828 35.8259 36.0098 36.1779 36.2698 36.3469 36.4564 36.5652 36.6807 36.7731 36.9145 37.0855 37.1269 37.1891 37.3209 37.5250 37.6451 37.7998 37.8913 38.1001 38.1546 38.3356 38.4672 38.6124 38.6592 38.8035 38.9360 39.0526 39.1190 39.3065 39.4190 39.4728 39.5845 39.7071 39.8080 40.1117 40.1993 40.3997 40.5981 40.6777 40.7140 40.8317 41.2128 41.2658 41.4222 41.5772 41.6954 41.7542 42.0804 42.1991 42.3367 42.4478 42.5307 42.8639 43.0212 43.1954 43.3040 43.4578 43.5099 43.7559 43.8189 43.9010 44.0249 44.1763 44.3252 44.5324 44.7070 44.8050 44.9204 45.1529 45.3840 45.4018 45.5616 45.6071 45.6728 45.8074 45.9552 46.1631 46.4559 46.5369 46.7682 46.8392 46.9547 47.1482 47.2583 47.4831 47.5241 47.7533 47.9367 48.1349 48.3934 48.4697 48.6875 48.8308 48.9527 49.1270 49.4817 49.5692 49.7414 49.9420 50.1270 50.1488 50.3241 50.5756 50.6263 50.9967 51.1435 51.2114 51.2584 51.3370 51.4743 51.5924 51.6258 51.8053 52.0334 52.2059 52.3059 52.6314 52.7792 52.9760 53.1191 53.3538 53.5175 53.6343 53.8934 54.2107 54.3285 54.5935 54.5954 55.1018 55.2092 55.4208 55.6012 55.8291 56.0282 56.3016 56.4302 56.5959 56.6824 56.9445 57.0301 57.2905 57.4393 57.5002 57.6455 57.7451 57.9012 58.0795 58.3852 58.4383 58.6494 58.6990 58.7675 59.0186 59.3119 59.3894 59.6248 59.7373 59.8942 60.3113 60.4272 60.6149 60.6554 60.8310 61.1886 61.2995 61.4980 61.7339 61.9791 62.1465 62.3516 62.9566 62.9713 63.2935 63.4682 63.6048 63.9088 64.0726 64.2117 64.4423 64.5708 64.8659 64.8904 65.2378 65.3333 65.4847 65.5346 65.7709 65.9619 66.0167 66.1916 66.4558 66.6225 66.9011 67.0121 67.0940 67.3573 67.5571 67.7071 67.9030 67.9424 68.2239 68.4987 68.7236 68.8179 69.0899 69.2469 69.3060 69.5482 69.6188 69.9935 70.2681 70.7117 71.1645 71.3125 71.7238 71.9483 72.1141 72.4643 72.7622 72.9227 72.9999 73.4777 73.6972 73.8587 74.0662 74.5718 74.5954 74.8238 75.0555 75.2217 75.3398 75.3843 75.5201 75.8414 75.9020 76.2778 76.5493 76.6496 76.8413 76.8855 77.0221 77.1388 77.3561 77.4993 77.5406 77.6449 77.8615 77.9595 77.9940 78.3421 78.3589 78.7284 78.8041 78.8535 79.0031 79.1533 79.2420 79.3403 79.5209 79.6342 79.7322 79.9559 80.0711 80.1849 80.4377 80.4955 80.8831 81.1011 81.1788 81.2685 81.4405 81.5682 81.8032 81.9364 82.0040 82.2277 82.2734 82.4651 82.5996 82.7104 82.8407 82.9291 83.2160 83.3309 83.5286 83.6872 83.7686 83.8892 84.1503 84.2171 84.4209 84.5358 84.6025 84.8219 85.0367 85.0948 85.1493 85.3151 85.4569 85.5279 85.6914 85.7875 85.8411 85.9425 86.0894 86.1513 86.2868 86.4123 86.4416 86.6243 86.7118 86.8021 86.9698 87.0767 87.3378 87.3932 87.5987 87.6401 87.8490 87.8965 87.9991 88.2956 88.3437 88.5175 88.7494 88.8269 88.9855 89.1083 89.1967 89.2710 89.3676 89.4550 89.5888 89.7753 89.9398 89.9903 90.2091 90.4194 90.4828 90.7270 90.7960 90.9451 91.0274 91.1553 91.4253 91.4831 91.5312 91.5723 91.8028 92.0195 92.1555 92.2560 92.4566 92.4984 92.6039 92.8238 92.8388 92.9623 93.0013 93.2573 93.3465 93.4790 93.5809 93.7086 93.7859 93.8747 93.9760 94.1411 94.1948 94.3985 94.6097 94.6915 94.7328 94.9489 95.1231 95.1762 95.3598 95.4275 95.5338 95.8590 95.8705 96.0441 96.2536 96.4273 96.5060 96.5869 96.8475 96.8844 97.0240 97.2478 97.2790 97.3802 97.6039 97.6955 97.8866 97.9774 98.2195 98.3438 98.5262 98.6865 98.7160 98.8844 99.1133 99.2585 99.4245 99.5173 99.6274 99.9588 100.0977 100.1198 100.3914 100.4818 100.8169 101.1159 101.1623 101.3510 101.5430 101.7572 101.8986 102.1911 102.4476 102.5239 102.6157 102.9739 103.1350 103.4069 103.5437 103.6367 103.6796 103.9279 104.3530 104.4827 104.6388 104.9010 105.0226 105.1044 105.1567 105.1873 105.3932 105.5177 105.5972 105.6728 105.8004 106.0642 106.3408 106.4324 106.5660 106.6955 106.8016 106.8873 107.0387 107.1017 107.4618 107.8319 107.9058 108.2404 108.3748 108.5762 108.8153 108.8805 108.9179 109.0826 109.1861 109.3015 109.7533 109.9483 110.1377 110.1834 110.4022 110.4465 110.5665 110.7938 110.8641 110.9854 111.1480 111.2192 111.5318 111.6182 111.8273 111.9165 112.1551 112.3906 112.4477 112.5896 112.8935 113.2704 113.2997 113.5000 113.6531 113.8498 114.0482 114.1562 114.2666 114.5034 114.6714 114.7668 114.9653 115.1117 115.3587 115.6085 115.7385 115.9314 116.0627 116.2115 116.3006 116.5211 116.6254 116.8282 117.0223 117.1653 117.2190 117.4326 117.5487 117.6601 117.7250 117.9738 118.1216 118.2498 118.3999 118.4809 118.6872 118.7350 118.8552 118.9122 118.9578 119.3235 119.4270 119.5272 119.8905 119.9128 120.0902 120.2732 120.6385 120.7229 120.7728 121.0925 121.1522 121.4093 121.7425 121.8244 121.9943 122.1721 122.2853 122.6551 122.7615 122.9482 123.4254 123.6302 123.7991 124.0964 124.2704 124.8790 125.0691 125.5207 125.6991 126.1038 126.2943 126.3598 126.5990 126.7979 126.8981 127.2688 127.3328 128.1393 128.2826 128.4281 128.5362 128.5794 129.0508 129.2179 129.3646 129.4881 129.6550 130.0083 130.1172 130.1957 130.3848 130.4673 131.0424 131.3101 131.3478 131.5021 131.6671 132.1540 132.1873 132.4025 132.4731 132.6540 132.7253 132.9793 133.1461 133.4597 134.1331 134.1621 134.4971 134.5934 134.9857 135.2053 135.4430 135.5087 135.8422 136.6102 137.0695 137.4295 137.4854 137.6707 138.2273 138.2865 138.3994 138.5050 138.8810 139.3005 139.6344 139.8481 140.2034 140.4517 140.9785 141.0000 141.0871 141.5644 142.1843 142.5045 142.9136 143.1559 143.4373 143.5962 143.8194 144.1403 144.2405 144.6242 144.6649 145.0386 145.0706 145.2871 145.4510 145.7044 145.9879 146.1795 146.5585 146.8881 147.0686 147.5471 147.6357 147.7418 148.0832 148.4007 148.5655 148.6492 148.9489 149.0031 149.8067 149.9398 150.0584 150.2323 150.6139 151.0933 151.3745 151.5314 151.7437 151.9726 152.8641 153.1193 153.5120 153.6197 154.2944 154.5582 155.0458 155.5071 155.6685 155.7964 156.1355 156.8381 157.0242 157.3118 157.6258 158.0482 158.0945 159.0065 159.1909 159.3899 159.6657 160.2724 160.4227 160.9234 161.3596 161.7284 161.9458 162.0533 162.4638 164.2386 164.7633 165.9936 166.5856 167.4278 169.2122 169.8302 171.5225 172.4647 173.2795 174.7801 175.9182 176.1534 176.9452 177.5174 179.1331 181.7707 182.0070 184.6047 186.9867 187.4481 187.9539 188.3997 189.8419 191.1704 193.1223 193.2919 196.6583 197.3075 198.3450 200.5057 206.0731 206.6178 207.4321 221.6741 221.9882 222.5357 223.2154 223.3554 224.5519 225.9246 226.3351 228.1687 229.6008 295.6352 295.9203 296.1217 297.5183 308.8927 314.1670 609.5353 620.8045 621.3987 626.5541 629.4753 630.9985 632.1719 632.8409 633.9672 634.4280 635.5135 635.7505 636.8338 637.0250 637.5736 639.6795 642.6033 642.9968 647.0627 650.1965 657.4652 658.5190 705.8966 710.7987 877.1066 1198.8997 1211.9406 1215.6658 -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 -0.036190 -0.045400 -0.280436 -0.333061 -0.297327 0.002066 0.115261 0.015178 -0.114025 -0.261486 -0.234785 -0.192339 0.324840 0.028275 0.272489 0.061340 -0.260447 -0.168922 -0.170682 0.224634 -0.078006 -0.202838 0.206308 -0.149715 -0.160127 -0.123118 -0.118208 -0.116434 0.098431 0.083053 0.095306 0.090452 0.097404 0.097628 0.073798 0.097253 0.110388 0.127463 0.124018 0.105739 0.126167 0.127599 0.128950 0.128399 0.124011 0.128865 0.128231 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 17.0362 17.0454 8.2804 8.3331 8.2973 6.9979 5.8847 5.9848 6.1140 6.2615 6.2348 6.1923 5.6752 5.9717 5.7275 5.9387 6.2604 6.1689 6.1707 5.7754 6.0780 6.2028 5.7937 6.1497 6.1601 6.1231 6.1182 6.1164 0.9016 0.9169 0.9047 0.9095 0.9026 0.9024 0.9262 0.9027 0.8896 0.8725 0.8760 0.8943 0.8738 0.8724 0.8710 0.8716 0.8760 0.8711 0.8718 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 -0.0362 -0.0454 -0.2804 -0.3331 -0.2973 0.0021 0.1153 0.0152 -0.1140 -0.2615 -0.2348 -0.1923 0.3248 0.0283 0.2725 0.0613 -0.2604 -0.1689 -0.1707 0.2246 -0.0780 -0.2028 0.2063 -0.1497 -0.1601 -0.1231 -0.1182 -0.1164 0.0984 0.0831 0.0953 0.0905 0.0974 0.0976 0.0738 0.0973 0.1104 0.1275 0.1240 0.1057 0.1262 0.1276 0.1290 0.1284 0.1240 0.1289 0.1282 1.2893 1.2608 2.0919 2.1765 2.1195 3.1170 3.7357 3.7617 3.9155 3.9257 3.9138 3.8421 4.2687 4.2282 3.8790 3.6830 4.0079 3.9271 4.0471 3.8649 3.9552 4.0380 3.8444 4.0175 4.0109 3.8736 3.9870 3.8776 1.0287 1.0337 1.0010 1.0044 1.0124 1.0041 1.0079 1.0041 1.0187 1.0193 1.0251 1.0129 0.9995 1.0130 1.0070 1.0093 1.0093 1.0005 1.0162 1.2893 1.2608 2.0919 2.1765 2.1195 3.1170 3.7357 3.7617 3.9155 3.9257 3.9138 3.8421 4.2687 4.2282 3.8790 3.6830 4.0079 3.9271 4.0471 3.8649 3.9552 4.0380 3.8444 4.0175 4.0109 3.8736 3.9870 3.8776 1.0287 1.0337 1.0010 1.0044 1.0124 1.0041 1.0079 1.0041 1.0187 1.0193 1.0251 1.0129 0.9995 1.0130 1.0070 1.0093 1.0093 1.0005 1.0162 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1967 1.1402 1.1068 0.8893 2.0115 1.0400 0.8905 3.0543 0.8684 0.9006 0.9586 0.9594 0.9201 0.9719 0.9943 1.0356 1.0129 0.9950 0.9896 0.9828 0.9897 0.9800 0.9952 1.8396 0.9710 0.8918 0.9349 1.0048 1.3461 1.4207 1.3672 0.9487 1.4362 0.9622 1.3880 1.4730 0.9760 0.9706 1.4121 1.4217 1.4342 0.9749 1.4269 0.9781 1.3656 0.9724 1.4533 0.9728 0.9728 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 -0.029114661 -2050.687033665779 -13.86663 14.50880 0.64216 -8.63552 8.26059 -0.37493 6.72795 -5.76056 0.96739 1.22016 3.10140