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:.8555,-6.272,-1.2265;3.6262,-5.8677,-1.9228;-.2543,.0026,-.856;-1.4908,-1.7863,-.3237;-1.4517,4.2351,2.2321;-.7247,2.4535,-3.0239;1.1165,-2.5986,1.2323;1.0139,-3.3625,-.0547;.8888,-1.8519,-.0671;.0024,-2.7601,2.2373;2.4679,-2.4013,1.878;2.1796,-3.9909,-.6885;-.418,-1.2543,-.4088;2.2067,-5.2117,-1.2089;-1.4365,.7174,-1.2055;-2.0494,1.3983,-.0065;-1.0253,1.6858,-2.2244;-1.4377,2.5229,.534;-3.1987,.8764,.5676;-2.0004,3.1427,1.6405;-3.7425,1.4957,1.6834;-3.1548,2.6275,2.2188;-.7438,5.1359,1.4825;.4745,5.5689,1.981;-1.2426,5.6445,.2899;1.1978,6.5225,1.28;-.5031,6.5863,-.4071;.7168,7.03,.0829;.0742,-3.8855,-.1908;1.7428,-1.2923,-.4315;.2447,-3.579,2.9165;-.9572,-2.9826,1.7782;-.1124,-1.8555,2.8371;2.7555,-3.2915,2.4395;2.4335,-1.5635,2.5755;3.2615,-2.1922,1.1619;3.1011,-3.4248,-.7433;-2.1693,.0436,-1.6601;-.5374,2.9232,.0832;-3.6615,-.009,.1535;-4.6403,1.097,2.1361;-3.5827,3.1218,3.081;.8456,5.1632,2.913;-2.1965,5.3085,-.0957;2.1473,6.8627,1.6711;-.8877,6.976,-1.3399;1.2875,7.7666,-.4658; 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 2686.8668252599 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.012e-06 Time for diagonalization 0.547 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.495 sec Total time needed 1.077 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:.8555,-6.272,-1.2265;3.6262,-5.8677,-1.9228;-.2543,.0026,-.856;-1.4908,-1.7863,-.3237;-1.4517,4.2351,2.2321;-.7247,2.4535,-3.0239;1.1165,-2.5986,1.2323;1.0139,-3.3625,-.0547;.8888,-1.8519,-.0671;.0024,-2.7601,2.2373;2.4679,-2.4013,1.878;2.1796,-3.9909,-.6885;-.418,-1.2543,-.4088;2.2067,-5.2117,-1.2089;-1.4365,.7174,-1.2055;-2.0494,1.3983,-.0065;-1.0253,1.6858,-2.2244;-1.4377,2.5229,.534;-3.1987,.8764,.5676;-2.0004,3.1427,1.6405;-3.7425,1.4957,1.6834;-3.1548,2.6275,2.2188;-.7438,5.1359,1.4825;.4745,5.5688,1.981;-1.2426,5.6445,.2899;1.1978,6.5225,1.28;-.5031,6.5863,-.4071;.7168,7.03,.0829;.0742,-3.8855,-.1907;1.7428,-1.2923,-.4315;.2447,-3.579,2.9165;-.9572,-2.9826,1.7782;-.1124,-1.8555,2.8371;2.7555,-3.2915,2.4395;2.4335,-1.5635,2.5755;3.2615,-2.1922,1.1619;3.1011,-3.4248,-.7433;-2.1693,.0436,-1.6601;-.5374,2.9232,.0832;-3.6615,-.009,.1535;-4.6403,1.097,2.1361;-3.5827,3.1218,3.081;.8456,5.1632,2.913;-2.1965,5.3085,-.0957;2.1473,6.8627,1.6711;-.8877,6.976,-1.3399;1.2875,7.7666,-.4658; 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:.8555,-6.272,-1.2265;3.6262,-5.8677,-1.9228;-.2543,.0026,-.856;-1.4908,-1.7863,-.3237;-1.4517,4.2351,2.2321;-.7247,2.4535,-3.0239;1.1165,-2.5986,1.2323;1.0139,-3.3625,-.0547;.8888,-1.8519,-.0671;.0024,-2.7601,2.2373;2.4679,-2.4013,1.878;2.1796,-3.9909,-.6885;-.418,-1.2543,-.4088;2.2067,-5.2117,-1.2089;-1.4365,.7174,-1.2055;-2.0494,1.3983,-.0065;-1.0253,1.6858,-2.2244;-1.4377,2.5229,.534;-3.1987,.8764,.5676;-2.0004,3.1427,1.6405;-3.7425,1.4957,1.6834;-3.1548,2.6275,2.2188;-.7438,5.1359,1.4825;.4745,5.5689,1.981;-1.2426,5.6445,.2899;1.1978,6.5225,1.28;-.5031,6.5863,-.4071;.7168,7.03,.0829;.0742,-3.8855,-.1908;1.7428,-1.2923,-.4315;.2447,-3.579,2.9165;-.9572,-2.9826,1.7782;-.1124,-1.8555,2.8371;2.7555,-3.2915,2.4395;2.4335,-1.5635,2.5755;3.2615,-2.1922,1.1619;3.1011,-3.4248,-.7433;-2.1693,.0436,-1.6601;-.5374,2.9232,.0832;-3.6615,-.009,.1535;-4.6403,1.097,2.1361;-3.5827,3.1218,3.081;.8456,5.1632,2.913;-2.1965,5.3085,-.0957;2.1473,6.8627,1.6711;-.8877,6.976,-1.3399;1.2875,7.7666,-.4658; -2050.66231319 2686.86682526 -4737.52913845 -8149.12508904 3411.59595059 -4095.20158982 2044.53927664 2.00299482 108.000372687570 108.000372687570 216.000745375139 -151.872414622366 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 -2765.7201 -2765.6673 -525.3526 -524.7437 -523.4601 -392.7849 -283.8019 -283.0189 -282.9802 -281.9073 -281.6301 -280.9976 -280.9818 -280.7106 -280.6838 -280.6758 -280.6045 -280.2406 -280.2193 -280.1273 -280.1202 -279.9902 -279.9772 -279.9266 -279.8978 -279.8887 -279.8090 -279.6481 -260.9885 -260.9352 -199.8317 -199.7803 -199.5836 -199.5759 -199.5276 -199.5231 -34.2655 -33.1611 -31.6814 -28.5759 -28.2916 -27.9623 -27.3728 -26.8117 -26.0826 -25.5706 -24.3600 -24.3371 -23.9301 -23.8194 -23.4528 -23.1417 -22.4160 -21.4534 -20.8594 -20.2369 -19.8617 -19.4444 -19.2480 -18.7354 -18.4574 -18.2649 -17.7702 -17.2243 -17.0837 -16.5230 -16.5190 -16.2972 -16.2677 -16.0540 -15.9516 -15.6497 -15.1635 -15.0666 -14.9822 -14.9611 -14.6471 -14.4834 -14.2940 -14.1292 -14.0973 -14.0354 -13.8576 -13.5720 -13.4475 -13.2104 -13.1660 -13.0820 -12.9736 -12.8617 -12.6497 -12.4879 -12.3872 -12.2015 -12.1635 -12.0273 -11.8771 -11.7814 -11.6507 -11.5256 -11.2687 -10.8814 -10.6605 -9.8744 -9.6057 -9.5039 -9.0787 -8.6326 0.7726 1.2085 1.2936 1.5986 1.8789 1.9933 2.4768 2.6197 2.7456 2.9956 3.1138 3.3777 3.6280 3.8384 3.9786 4.0787 4.2497 4.3139 4.4296 4.5225 4.5624 4.7511 4.8182 4.8887 4.9549 5.1230 5.2921 5.3931 5.4756 5.6132 5.7696 5.8245 5.9345 6.1046 6.1581 6.2311 6.3915 6.6020 6.7406 6.7979 7.0360 7.2247 7.2608 7.4506 7.5157 7.5446 7.5869 7.6747 7.7445 7.8379 7.8926 7.9775 8.0395 8.2093 8.2729 8.4127 8.5451 8.6215 8.6656 8.7377 8.8824 9.0803 9.1894 9.2957 9.4346 9.5729 9.6325 9.7582 9.8895 9.9342 9.9570 9.9935 10.1723 10.2251 10.3781 10.5441 10.6404 10.7636 10.8070 10.9123 11.0138 11.0207 11.2507 11.2889 11.3748 11.4638 11.5773 11.5852 11.6642 11.7532 11.8499 11.8934 11.9926 12.0635 12.2088 12.3245 12.4186 12.4979 12.6330 12.6723 12.7445 12.7765 12.8032 12.9630 13.0290 13.0890 13.2140 13.2321 13.4131 13.5436 13.5807 13.6531 13.7516 13.8061 13.8838 13.9497 14.0528 14.1469 14.3031 14.3336 14.5188 14.5514 14.5583 14.6800 14.8559 14.9593 15.0081 15.0728 15.1655 15.2195 15.2754 15.4035 15.5531 15.7078 15.7622 15.8329 16.0012 16.0557 16.1032 16.2396 16.2573 16.3620 16.4097 16.4313 16.6180 16.7040 16.8322 16.9593 17.0604 17.3033 17.4636 17.5165 17.6393 17.7237 17.9056 18.0450 18.3232 18.3896 18.5904 18.7523 19.0316 19.0573 19.1853 19.3723 19.5262 19.7220 19.7612 19.9225 19.9738 20.2001 20.2677 20.3181 20.4209 20.5491 20.6522 20.7379 20.8037 21.0011 21.0901 21.2157 21.3160 21.4553 21.6251 21.6520 21.8288 21.8547 21.9943 22.1100 22.2452 22.4948 22.6518 22.7616 22.9718 23.2439 23.2782 23.3651 23.4445 23.5436 23.5555 23.7678 23.8885 24.0227 24.1836 24.3080 24.4173 24.5023 24.8119 24.8727 25.1273 25.2792 25.4896 25.6790 25.9296 26.1661 26.2780 26.3310 26.4576 26.5613 26.9340 27.0269 27.1487 27.1855 27.3302 27.3847 27.5628 27.7056 27.8636 28.0251 28.1147 28.3177 28.5044 28.6149 28.6946 28.9459 29.0488 29.0911 29.2586 29.3311 29.4147 29.5688 29.6906 29.7978 29.9958 30.1397 30.2921 30.3499 30.4305 30.5839 30.6703 30.9034 31.0562 31.1942 31.3665 31.4795 31.5551 31.7890 31.9251 32.0527 32.2549 32.4972 32.5127 32.6086 32.6673 32.7115 32.8184 33.2779 33.3634 33.4448 33.7408 33.8340 33.9581 34.1502 34.2172 34.3483 34.5795 34.7285 34.8450 34.9670 35.1410 35.3179 35.3985 35.5036 35.6853 35.7855 35.8999 35.9544 36.0191 36.2066 36.2466 36.5037 36.5876 36.6935 36.8545 37.0197 37.2475 37.3163 37.4510 37.5929 37.8210 37.9210 38.0488 38.1021 38.2152 38.2701 38.4313 38.4961 38.6605 38.7229 38.8135 38.9167 39.1406 39.1738 39.3005 39.3942 39.6301 39.9805 40.1062 40.3898 40.4249 40.5501 40.6727 40.7919 40.8181 41.0136 41.2487 41.3451 41.4897 41.6078 41.7645 41.8731 42.0167 42.1981 42.2918 42.3055 42.6913 42.8790 42.9023 43.0585 43.2899 43.3599 43.5232 43.6376 43.7735 43.8954 43.9614 43.9998 44.1389 44.2973 44.3458 44.4905 44.7614 44.8964 45.0022 45.2692 45.4318 45.5377 45.6667 45.7066 45.9546 46.0990 46.2426 46.4432 46.5040 46.5726 46.8038 46.9696 47.2112 47.3072 47.5575 47.6029 47.8475 48.0647 48.2407 48.4472 48.5344 48.6661 49.0318 49.0756 49.2527 49.4728 49.6233 49.9085 49.9352 50.0977 50.1512 50.5829 50.6745 50.7470 50.8113 51.0611 51.1345 51.3511 51.4954 51.6729 51.7449 51.8859 52.1512 52.3064 52.3546 52.3929 52.5644 52.6023 52.8673 52.9377 53.0691 53.5048 53.8048 53.9830 54.2141 54.5854 54.6919 54.9445 55.2210 55.5387 55.7353 55.8521 56.0007 56.1681 56.3176 56.5104 56.7985 56.9475 57.0504 57.1586 57.3181 57.6710 57.7106 58.1436 58.1741 58.3149 58.4501 58.5366 58.6964 58.8226 58.9866 59.2068 59.3454 59.4705 59.6873 59.8823 59.9409 60.1371 60.2905 60.4930 60.6489 61.3444 61.5008 61.6473 61.8099 62.0248 62.1266 62.3515 62.9705 63.0081 63.1004 63.2743 63.2878 63.5436 63.6739 63.8176 63.9050 64.1596 64.3338 64.6510 64.7160 64.9519 65.1670 65.3662 65.3781 65.4571 65.7141 66.0363 66.1716 66.4511 66.5252 66.8884 67.0826 67.3301 67.5411 67.6613 67.7632 68.0133 68.2106 68.5174 68.6231 68.6624 68.9805 69.1819 69.4396 69.5927 70.0068 70.2620 70.6207 70.8574 71.1188 71.7472 71.9040 72.1158 72.4648 72.6614 72.8095 72.8525 73.3805 73.5531 73.7317 74.0412 74.2160 74.2612 74.3982 74.5503 74.7664 75.0776 75.3107 75.4080 75.6251 75.7731 75.9904 76.3527 76.4515 76.6096 76.7378 76.8764 77.1693 77.3114 77.3829 77.5216 77.5680 77.8324 78.0088 78.0629 78.2377 78.4128 78.6165 78.6767 78.8052 78.9998 79.0373 79.1306 79.2920 79.3332 79.4439 79.6000 79.6951 79.8711 79.9741 80.2789 80.3081 80.4362 80.9241 80.9931 81.2246 81.2715 81.4027 81.5309 81.6510 81.7533 81.9182 82.0458 82.1755 82.4032 82.4704 82.5513 82.7441 82.7706 83.0135 83.1354 83.2286 83.3909 83.6385 83.6437 83.9293 83.9528 84.1542 84.3322 84.5483 84.6106 84.6706 84.9035 85.0285 85.1895 85.3166 85.3843 85.4133 85.4799 85.6173 85.6912 85.8221 85.8983 86.0866 86.2464 86.3584 86.4255 86.5214 86.8252 87.0086 87.1267 87.3746 87.6290 87.6924 87.8394 87.8769 88.0745 88.1039 88.3707 88.4691 88.5713 88.7325 88.8092 88.8513 88.9684 89.0684 89.1239 89.2694 89.4577 89.5354 89.6110 89.6723 89.8028 89.8479 90.1734 90.2205 90.4986 90.6553 90.9061 91.0488 91.1063 91.1717 91.2728 91.4995 91.7428 91.8479 92.0899 92.1631 92.2569 92.3657 92.5481 92.5966 92.6932 92.7707 92.9660 93.1456 93.3169 93.3466 93.3766 93.5654 93.6226 93.7056 93.7863 93.8874 94.1756 94.3744 94.4394 94.6241 94.7532 94.8412 94.9341 95.0938 95.1686 95.2805 95.3385 95.6030 95.7510 95.8462 95.9740 96.3010 96.4326 96.5001 96.6381 96.8433 96.9156 97.0037 97.0353 97.2903 97.4252 97.5137 97.6336 97.6703 97.9821 98.2556 98.3098 98.3672 98.4896 98.6343 98.7284 98.8499 98.9212 99.0798 99.3925 99.4943 99.8614 100.0866 100.2149 100.3147 100.5052 100.8731 100.9948 101.1520 101.4086 101.7168 102.0053 102.1841 102.3764 102.4630 102.5551 102.7978 102.9067 103.2942 103.5635 103.6555 103.8396 104.2107 104.4139 104.4532 104.5854 104.7740 104.8830 104.9814 105.2242 105.3073 105.4039 105.5606 105.5717 105.7468 105.8215 105.8888 106.1406 106.2126 106.3842 106.5364 106.6248 106.7693 106.8944 107.1401 107.3193 107.3833 107.5802 107.6278 108.0848 108.2087 108.3679 108.4788 108.8487 109.1474 109.2178 109.3093 109.4178 109.6817 109.7972 109.9076 110.0236 110.3270 110.4824 110.6566 110.6790 110.9022 110.9426 111.1767 111.2583 111.3202 111.4154 111.6913 111.9678 112.0559 112.4532 112.7071 112.8239 113.0333 113.0884 113.3377 113.4963 113.5897 113.9266 114.0220 114.3156 114.3634 114.5897 114.6352 114.9091 115.0229 115.3664 115.4482 115.8124 115.8601 115.9781 116.0772 116.1316 116.3191 116.4089 116.5195 116.5772 116.7705 117.0102 117.0817 117.1996 117.3272 117.4282 117.6649 117.9202 117.9479 118.1569 118.2937 118.3864 118.4174 118.5512 118.8250 118.9097 119.0498 119.3404 119.4437 119.7719 119.8566 119.9974 120.1659 120.2909 120.4951 120.5795 120.7831 120.9460 121.1631 121.3821 121.7489 121.9479 122.0630 122.3586 122.7848 122.9656 123.1291 123.3144 123.5903 123.7174 123.9629 124.1189 124.9261 125.2931 125.4473 125.5102 125.8817 125.9932 126.3941 126.4999 126.5316 127.0356 127.5686 127.6798 127.9755 128.0477 128.5054 128.8214 128.9078 128.9636 128.9927 129.1429 129.4441 129.4632 129.6600 129.9555 130.2380 130.3051 130.5255 130.7557 130.9542 130.9681 131.2804 131.5856 131.6889 131.7681 131.9650 132.0650 132.3745 132.6091 132.7859 132.9221 133.0524 133.8345 134.0521 134.1871 134.6890 134.8587 135.0799 135.2766 135.5871 136.1508 136.3823 136.5927 136.8848 137.6351 137.8609 137.8777 138.1830 138.2074 138.4685 138.5570 138.7494 139.2837 139.4155 139.9301 140.1782 140.3439 141.0541 141.1649 141.4106 141.7231 142.1939 142.6795 142.9154 143.6697 143.8291 144.0099 144.0915 144.1356 144.2397 144.4148 144.8963 145.0847 145.1228 145.4045 145.6125 146.0200 146.1052 146.5158 146.7008 147.1254 147.2338 147.5250 147.6404 147.8752 148.0850 148.3429 148.6399 148.7572 149.2423 149.4459 149.9130 150.0452 150.1960 150.3641 150.7924 151.1722 151.6180 152.0206 152.1392 152.4066 152.5087 153.2165 153.4250 154.1896 154.6245 155.3093 155.4270 155.6441 155.9638 156.1826 156.8759 156.9448 157.2481 157.3014 157.5541 158.4125 158.8278 158.9005 159.2908 159.4517 160.2037 160.4105 160.4853 161.5222 161.7923 162.2135 162.4821 163.1639 163.4241 164.1335 165.6265 167.1289 168.0804 169.0817 169.6786 172.0767 172.5123 172.6598 172.8319 174.2545 175.9491 177.3839 178.7039 179.1893 180.9387 182.2478 185.3496 185.8989 186.6335 187.3275 189.0787 189.6956 192.0646 192.4221 193.5802 195.5101 196.3127 198.7362 202.0809 204.7755 206.4121 206.5277 221.3117 221.6729 222.3706 222.8823 222.9246 223.5017 225.7444 225.9394 227.8766 229.3224 294.4674 294.7357 295.6755 297.0920 308.5381 313.3309 608.7890 618.3422 619.9722 625.5121 628.7926 630.7658 631.7969 632.1943 634.1705 634.4969 635.1303 635.2392 636.4952 636.8513 637.4960 639.1335 641.8532 642.7734 646.9241 650.1211 657.1770 658.1439 702.1898 708.0170 877.0849 1200.2293 1213.0191 1215.0017 -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 -0.039127 -0.043643 -0.261383 -0.383292 -0.297375 -0.003003 0.066922 0.043055 -0.099913 -0.246856 -0.243099 -0.203502 0.364780 0.051456 0.330369 -0.000001 -0.267891 -0.174393 -0.133111 0.210462 -0.094521 -0.197539 0.238842 -0.207206 -0.162687 -0.091695 -0.098806 -0.141698 0.087667 0.083076 0.090191 0.100631 0.090154 0.100132 0.095395 0.073121 0.098465 0.123643 0.128649 0.119969 0.128487 0.129294 0.124247 0.131850 0.125028 0.128309 0.126547 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 17.0391 17.0436 8.2614 8.3833 8.2974 7.0030 5.9331 5.9569 6.0999 6.2469 6.2431 6.2035 5.6352 5.9485 5.6696 6.0000 6.2679 6.1744 6.1331 5.7895 6.0945 6.1975 5.7612 6.2072 6.1627 6.0917 6.0988 6.1417 0.9123 0.9169 0.9098 0.8994 0.9098 0.8999 0.9046 0.9269 0.9015 0.8764 0.8714 0.8800 0.8715 0.8707 0.8758 0.8682 0.8750 0.8717 0.8735 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 -0.0391 -0.0436 -0.2614 -0.3833 -0.2974 -0.0030 0.0669 0.0431 -0.0999 -0.2469 -0.2431 -0.2035 0.3648 0.0515 0.3304 -0.0000 -0.2679 -0.1744 -0.1331 0.2105 -0.0945 -0.1975 0.2388 -0.2072 -0.1627 -0.0917 -0.0988 -0.1417 0.0877 0.0831 0.0902 0.1006 0.0902 0.1001 0.0954 0.0731 0.0985 0.1236 0.1286 0.1200 0.1285 0.1293 0.1242 0.1318 0.1250 0.1283 0.1265 1.2880 1.2617 2.1364 2.1210 2.1143 3.1153 3.7598 3.8230 3.8821 3.9151 3.9091 3.9207 4.2281 4.2507 3.8269 3.6649 4.0295 3.9728 3.9804 3.8645 3.9562 4.0329 3.8022 4.0440 3.9569 3.9313 3.9499 3.9624 1.0498 1.0354 1.0014 1.0209 1.0016 1.0026 1.0043 1.0101 1.0297 1.0173 1.0157 1.0214 0.9996 1.0115 1.0135 1.0034 0.9991 1.0001 1.0003 1.2880 1.2617 2.1364 2.1210 2.1143 3.1153 3.7598 3.8230 3.8821 3.9151 3.9091 3.9207 4.2281 4.2507 3.8269 3.6649 4.0295 3.9728 3.9804 3.8645 3.9562 4.0329 3.8022 4.0440 3.9569 3.9313 3.9499 3.9624 1.0498 1.0354 1.0014 1.0209 1.0016 1.0026 1.0043 1.0101 1.0297 1.0173 1.0157 1.0214 0.9996 1.0115 1.0135 1.0034 0.9991 1.0001 1.0003 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 1.1976 1.1557 1.1449 0.8601 1.9293 1.0100 0.9308 3.0584 0.9015 0.8651 0.9660 0.9570 0.9173 1.0211 0.9863 1.0470 1.0158 0.9888 0.9821 0.9907 0.9939 0.9884 0.9860 1.8707 0.9544 0.9163 0.9182 0.9998 1.3685 1.3794 1.3948 0.9440 1.4437 0.9674 1.4067 1.4577 0.9763 0.9701 1.4262 1.3696 1.4366 0.9715 1.4396 0.9653 1.4287 0.9747 1.4303 0.9701 0.9763 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 -0.023270520 -2050.685583706009 -6.58739 6.70558 0.11819 30.98983 -30.85237 0.13746 21.44560 -20.10566 1.33994 1.35214 3.43688