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:-1.4921,-.5497,-1.4762;-3.9984,-1.3415,-2.6758;1.7077,-2.3509,-.3424;.7117,-2.1605,1.6518;.8326,2.7651,1.7721;4.7952,-1.7924,-1.3942;-1.2393,-4.3711,.5673;-1.797,-3.0134,.312;-.3816,-3.3304,-.1275;-.954,-4.785,1.9899;-1.6886,-5.5135,-.3132;-2.8288,-2.7379,-.7109;.7034,-2.5755,.5254;-2.7799,-1.683,-1.5149;2.6565,-1.3612,.042;2.0871,.0157,-.2009;3.847,-1.6115,-.7719;1.7589,.8196,.8767;1.8186,.4354,-1.4999;1.1549,2.0537,.6612;1.2115,1.6612,-1.7017;.8702,2.4756,-.6305;.6333,4.1159,1.681;1.649,4.9614,1.2547;-.5929,4.6248,2.0762;1.4251,6.3284,1.2235;-.8014,5.9962,2.0494;.2016,6.8509,1.6191;-1.8468,-2.3667,1.1849;-.2374,-3.4877,-1.1899;-.1447,-5.516,2.0236;-1.8404,-5.2552,2.4189;-.6775,-3.9495,2.6274;-2.6114,-5.953,.0703;-.9334,-6.3001,-.3339;-1.8705,-5.2042,-1.3428;-3.6827,-3.4002,-.7925;2.9383,-1.4758,1.0931;1.946,.4912,1.891;2.078,-.1887,-2.3454;.9913,1.9932,-2.7073;.3854,3.4261,-.8087;2.6063,4.5542,.9553;-1.3702,3.9496,2.4086;2.2158,6.989,.8934;-1.7568,6.3954,2.3628;.0344,7.9191,1.5965; 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 2828.8364372474 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 6.645e-06 Time for diagonalization 0.403 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.322 sec Total time needed 0.740 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:-1.4921,-.5497,-1.4762;-3.9984,-1.3415,-2.6758;1.7077,-2.3509,-.3424;.7117,-2.1605,1.6518;.8326,2.7651,1.7721;4.7952,-1.7924,-1.3942;-1.2393,-4.3711,.5673;-1.797,-3.0134,.312;-.3816,-3.3304,-.1275;-.954,-4.785,1.9899;-1.6886,-5.5135,-.3132;-2.8288,-2.7379,-.7109;.7034,-2.5755,.5254;-2.7799,-1.683,-1.5149;2.6565,-1.3612,.042;2.0871,.0157,-.2009;3.847,-1.6115,-.7719;1.7589,.8196,.8767;1.8186,.4354,-1.4999;1.1549,2.0537,.6612;1.2115,1.6612,-1.7017;.8702,2.4756,-.6305;.6333,4.1159,1.681;1.649,4.9614,1.2547;-.5929,4.6248,2.0762;1.4251,6.3284,1.2235;-.8014,5.9962,2.0494;.2016,6.8509,1.6191;-1.8468,-2.3667,1.1849;-.2374,-3.4877,-1.1899;-.1447,-5.516,2.0236;-1.8404,-5.2552,2.4189;-.6775,-3.9495,2.6274;-2.6114,-5.953,.0703;-.9334,-6.3001,-.3339;-1.8705,-5.2042,-1.3428;-3.6827,-3.4002,-.7925;2.9383,-1.4758,1.0931;1.946,.4912,1.891;2.078,-.1887,-2.3454;.9913,1.9932,-2.7073;.3854,3.4261,-.8087;2.6063,4.5542,.9553;-1.3702,3.9496,2.4086;2.2158,6.989,.8934;-1.7568,6.3954,2.3628;.0344,7.9191,1.5965; 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:-1.4921,-.5497,-1.4762;-3.9984,-1.3415,-2.6758;1.7077,-2.3509,-.3424;.7117,-2.1605,1.6518;.8326,2.7651,1.7721;4.7952,-1.7924,-1.3942;-1.2393,-4.3711,.5673;-1.797,-3.0134,.312;-.3816,-3.3304,-.1275;-.954,-4.785,1.9899;-1.6886,-5.5135,-.3132;-2.8288,-2.7379,-.7109;.7034,-2.5755,.5254;-2.7799,-1.683,-1.5149;2.6565,-1.3612,.042;2.0871,.0157,-.2009;3.847,-1.6115,-.7719;1.7589,.8196,.8767;1.8186,.4354,-1.4999;1.1549,2.0537,.6612;1.2115,1.6612,-1.7017;.8702,2.4756,-.6305;.6333,4.1159,1.681;1.649,4.9614,1.2547;-.5929,4.6248,2.0762;1.4251,6.3284,1.2235;-.8014,5.9962,2.0494;.2016,6.8509,1.6191;-1.8468,-2.3667,1.1849;-.2374,-3.4877,-1.1899;-.1447,-5.516,2.0236;-1.8404,-5.2552,2.4189;-.6775,-3.9495,2.6274;-2.6114,-5.953,.0703;-.9334,-6.3001,-.3339;-1.8705,-5.2042,-1.3428;-3.6827,-3.4002,-.7925;2.9383,-1.4758,1.0931;1.946,.4912,1.891;2.078,-.1887,-2.3454;.9913,1.9932,-2.7073;.3854,3.4261,-.8087;2.6063,4.5542,.9553;-1.3702,3.9496,2.4086;2.2158,6.989,.8934;-1.7568,6.3954,2.3628;.0344,7.9191,1.5965; -2050.65870940 2828.83643725 -4879.49514665 -8433.29826588 3553.80311923 -4095.21014016 2044.55143076 2.00298710 108.000037924102 108.000037924102 216.000075848205 -151.874470719075 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 -2765.7586 -2765.7372 -525.1919 -524.7094 -523.3283 -392.6856 -283.6614 -283.0422 -282.9191 -281.8630 -281.6505 -280.9024 -280.8604 -280.6251 -280.6157 -280.5611 -280.5166 -280.1813 -280.1122 -280.0845 -280.0788 -280.0712 -280.0245 -280.0173 -279.9748 -279.9269 -279.8297 -279.5813 -261.0227 -261.0054 -199.8655 -199.8499 -199.6212 -199.6074 -199.5987 -199.5931 -34.1322 -33.1407 -31.5479 -28.6424 -28.1850 -27.8709 -27.3173 -26.8607 -26.1341 -25.4453 -24.4261 -24.3109 -23.9310 -23.7741 -23.3272 -23.1426 -22.3502 -21.3658 -20.7838 -20.1823 -19.9619 -19.6084 -19.2325 -18.5799 -18.2821 -18.0878 -17.5678 -17.2284 -17.1269 -16.6218 -16.3786 -16.3088 -16.1526 -16.0675 -15.9513 -15.7299 -15.3250 -15.1130 -15.0051 -14.7642 -14.5586 -14.4211 -14.2629 -14.1712 -14.0655 -13.9514 -13.8605 -13.5143 -13.2799 -13.2344 -13.1653 -13.0806 -12.8741 -12.7204 -12.7053 -12.4501 -12.3699 -12.1999 -12.1533 -12.1207 -11.8318 -11.7973 -11.4033 -11.3254 -10.9683 -10.7797 -10.5440 -9.8313 -9.6330 -9.4891 -9.3754 -8.6773 0.8685 1.1621 1.3140 1.5310 1.8009 2.0091 2.4114 2.7176 2.8566 3.0082 3.4193 3.4557 3.5612 3.7055 3.8348 4.0537 4.1362 4.2516 4.3666 4.4211 4.5259 4.6943 4.8793 4.9617 5.0208 5.0576 5.2263 5.3723 5.6524 5.7217 5.8379 5.9454 5.9844 6.1073 6.1822 6.3140 6.3436 6.6946 6.7865 6.9065 7.0152 7.1277 7.2544 7.3951 7.5392 7.5803 7.6848 7.6915 7.8136 7.9481 8.0730 8.1069 8.1531 8.2433 8.3034 8.5161 8.5504 8.6048 8.7520 8.8703 8.9685 9.0714 9.1577 9.2370 9.3513 9.4497 9.5757 9.6569 9.7876 9.8453 9.8864 10.0005 10.0938 10.2490 10.3099 10.5333 10.6685 10.7476 10.8017 10.9108 11.0649 11.1821 11.3116 11.3342 11.3830 11.4156 11.6209 11.6621 11.7501 11.8226 11.9494 12.0170 12.0858 12.2660 12.3189 12.3907 12.4369 12.6063 12.6915 12.7709 12.7917 12.8620 13.0335 13.2024 13.2644 13.4059 13.5198 13.5472 13.6005 13.6699 13.6987 13.7897 13.8874 13.9722 14.0106 14.0382 14.1136 14.2171 14.3520 14.5129 14.6488 14.7365 14.8999 14.9155 15.0124 15.0674 15.1311 15.2251 15.2585 15.3738 15.5181 15.5260 15.6521 15.7031 15.7533 15.8400 15.9443 16.0289 16.0985 16.2837 16.3814 16.4474 16.4754 16.6761 16.7747 16.9111 17.0640 17.2248 17.3714 17.4542 17.4702 17.7995 17.9468 18.0380 18.1081 18.2311 18.5372 18.5864 18.7375 18.8263 18.9089 19.1506 19.2603 19.3843 19.5133 19.8280 19.8690 19.9781 20.0480 20.0770 20.3261 20.4981 20.5320 20.7148 20.7784 20.8039 21.0576 21.1073 21.2585 21.3807 21.4309 21.5356 21.6163 21.9116 21.9357 22.1998 22.3216 22.4283 22.5631 22.6949 22.8027 22.9251 23.0010 23.1774 23.2873 23.4334 23.4978 23.8864 23.9168 23.9505 24.1636 24.2283 24.5323 24.6466 24.6923 25.0465 25.1215 25.3265 25.3939 25.6081 25.7050 26.0377 26.0670 26.2699 26.4731 26.5647 26.6938 26.9774 27.2004 27.2837 27.3291 27.3833 27.5504 27.5859 27.8039 28.0332 28.2622 28.3601 28.3949 28.5980 28.6721 28.8131 28.9014 28.9512 29.1941 29.2602 29.2660 29.4215 29.6044 29.6449 29.7899 29.9444 29.9743 30.1093 30.2607 30.3996 30.6248 30.8348 31.0178 31.2251 31.2871 31.3948 31.5846 31.6568 31.8044 31.8991 31.9876 32.1452 32.2812 32.3481 32.5014 32.7571 32.8197 32.9813 33.1761 33.1878 33.4614 33.7135 33.7999 33.8823 34.0368 34.2682 34.3527 34.4896 34.5575 34.6758 35.0069 35.0758 35.0930 35.4171 35.5716 35.7138 35.7685 36.0020 36.0597 36.1685 36.3575 36.4438 36.5134 36.7617 36.8884 36.9659 37.1776 37.2759 37.3377 37.5450 37.7599 37.8572 37.8679 38.0200 38.1635 38.1883 38.2373 38.4064 38.5839 38.6600 38.7811 38.9131 39.0610 39.2439 39.3840 39.4669 39.5601 39.7123 39.8615 40.0021 40.1829 40.3774 40.4717 40.7314 40.8388 40.8695 41.0782 41.3219 41.4126 41.6416 41.7359 41.8158 41.8787 42.0503 42.2244 42.3744 42.4493 42.6220 42.6465 42.7100 42.9108 43.1699 43.2401 43.4081 43.5413 43.6577 43.7856 43.8950 43.9316 44.1445 44.2791 44.3562 44.4320 44.6083 44.7499 44.9806 45.2669 45.3851 45.5133 45.5984 45.7513 45.8383 45.9222 46.0881 46.1739 46.5610 46.6856 46.8246 47.1232 47.1927 47.2305 47.3425 47.4573 47.7964 47.8890 48.0844 48.1825 48.2735 48.4647 48.5362 48.7027 49.1129 49.2286 49.2780 49.6424 49.9524 50.1940 50.2622 50.4159 50.5108 50.6696 50.9755 51.1904 51.4228 51.4602 51.5621 51.5835 51.8390 52.0171 52.3872 52.4198 52.5751 52.6156 52.7914 53.0161 53.3192 53.5415 53.6228 53.7862 54.0408 54.1442 54.5163 54.6859 54.8167 55.0961 55.2134 55.2935 55.5527 55.9696 56.1499 56.2185 56.3540 56.4056 56.4949 56.7793 56.7986 56.9122 57.2319 57.3178 57.6313 57.7736 58.0750 58.1404 58.6157 58.8045 58.8916 59.0336 59.0974 59.1495 59.3372 59.5863 59.6476 59.8547 59.9987 60.2529 60.3146 60.6163 60.8864 61.1212 61.4122 61.5592 61.8987 62.3154 62.3583 62.7139 62.8484 62.9486 63.0286 63.2348 63.3370 63.5788 63.8821 64.1417 64.2228 64.3687 64.5612 64.7016 64.9512 65.1470 65.4282 65.5660 65.7502 65.7731 66.0351 66.2278 66.5072 66.7072 66.7533 67.0290 67.2149 67.2269 67.4630 67.4773 67.7848 68.0106 68.1676 68.3331 68.5354 68.7642 68.9539 69.1855 69.3430 69.6426 69.8642 70.1072 70.5261 70.8461 71.0966 71.2821 71.6096 71.9331 72.1290 72.3361 72.6131 72.8918 73.0688 73.1195 73.5406 73.7020 74.1285 74.2544 74.4351 74.6221 74.7268 75.0125 75.1579 75.3303 75.5912 75.7109 75.9264 76.1433 76.3507 76.6351 76.7965 76.8254 77.0418 77.1398 77.2614 77.3093 77.7263 77.7408 77.9206 78.0893 78.1947 78.2917 78.4040 78.6320 78.7806 78.8377 79.0191 79.1122 79.2165 79.3054 79.3844 79.6663 79.7845 80.0256 80.1075 80.4672 80.5821 80.6236 80.8737 81.0286 81.2311 81.3138 81.4166 81.6668 81.7428 81.9191 82.0643 82.1382 82.2682 82.3416 82.5476 82.5929 82.7419 82.7682 82.9263 83.1698 83.3181 83.6466 83.7762 83.8205 84.0169 84.1507 84.3961 84.5648 84.6423 84.7597 84.9290 84.9851 85.1419 85.2885 85.3383 85.3966 85.4916 85.5504 85.5872 85.7954 85.9861 86.0484 86.1609 86.2146 86.3291 86.3995 86.5017 86.7815 86.9546 87.1401 87.3563 87.5460 87.7863 87.8258 87.9832 88.0199 88.2503 88.4230 88.4545 88.6377 88.6496 88.8084 88.8571 88.8819 88.9701 89.1269 89.3129 89.3554 89.5708 89.6958 89.7755 89.9029 90.0245 90.1863 90.2445 90.4544 90.5692 90.9933 91.0207 91.0319 91.2298 91.4153 91.6557 91.7230 91.9428 92.0425 92.1426 92.2094 92.3952 92.4496 92.5571 92.7179 92.9466 93.0098 93.1074 93.2072 93.2506 93.3787 93.4472 93.6233 93.8630 93.8758 93.9972 94.1425 94.2529 94.3325 94.4237 94.5767 94.6785 94.8173 95.0191 95.1439 95.2015 95.4744 95.6052 95.7647 95.7698 95.9580 95.9677 96.1224 96.4181 96.5383 96.7031 96.8970 96.9427 97.0858 97.1779 97.2971 97.4958 97.6173 97.7546 98.0046 98.0889 98.2327 98.3190 98.4102 98.5713 98.6787 98.8724 99.0446 99.1000 99.4619 99.5811 99.7023 99.7699 100.0356 100.2712 100.3366 100.4734 100.6073 101.1440 101.2164 101.3279 101.7322 101.8410 101.9108 102.0933 102.1405 102.5909 102.7697 102.8848 103.3530 103.5991 103.9194 104.1645 104.1866 104.2586 104.3195 104.7021 104.8298 105.0358 105.1816 105.2590 105.3299 105.3812 105.4890 105.5551 105.8228 106.0668 106.1117 106.3699 106.4375 106.4818 106.5532 106.7110 106.9522 107.1574 107.2428 107.2762 107.6992 107.8491 107.9708 108.2305 108.3107 108.6089 108.6772 108.6945 109.0204 109.3311 109.4439 109.7521 109.8961 110.1678 110.2525 110.5047 110.5336 110.6846 110.7934 110.8652 110.9078 111.0972 111.2508 111.5554 111.7271 111.8481 111.9925 112.1665 112.3761 112.5867 112.7845 112.8743 113.1381 113.2527 113.3598 113.6461 113.9176 113.9909 114.2368 114.3541 114.4733 114.5412 114.6663 114.8691 115.0519 115.1294 115.4849 115.5497 115.6980 115.8856 116.1279 116.2119 116.3388 116.4830 116.5740 116.9070 116.9375 117.1095 117.2013 117.3240 117.5680 117.6864 117.8316 117.9255 117.9931 118.2436 118.3913 118.5034 118.6200 118.7459 118.8671 119.0755 119.2358 119.3500 119.6440 119.7980 119.8474 119.9660 120.1067 120.2639 120.4873 120.6475 120.6769 121.1581 121.2489 121.3417 121.6721 121.7352 122.0632 122.2689 122.4318 122.7215 123.0889 123.1791 123.5528 123.8141 124.0121 124.0932 124.3904 124.8280 125.2898 125.4119 125.7470 125.8403 126.4807 126.9176 126.9558 127.1202 127.2858 127.7219 127.9444 128.2080 128.3815 128.4282 128.5510 129.0000 129.1442 129.3671 129.5052 129.6188 129.9328 130.0524 130.3036 130.4040 130.7070 130.7687 131.0672 131.1328 131.4625 131.7923 131.9845 132.2621 132.3872 132.5365 132.7269 133.0764 133.2194 133.3004 133.6098 133.7606 134.1407 134.3306 134.8974 135.0198 135.3361 135.5098 135.6716 135.7472 135.8819 136.7660 137.1243 137.2294 137.4708 137.8316 137.9136 138.2952 138.4872 138.7907 138.9160 139.2573 139.3410 139.6629 140.3782 140.8774 141.0952 141.4506 141.7911 142.0158 142.3186 142.6395 143.0990 143.7192 143.9742 144.0264 144.0653 144.2213 144.3912 144.5483 144.6835 145.3129 145.4328 145.5922 145.6382 145.8585 146.0881 146.3675 146.8585 146.9441 147.2656 147.5017 147.5577 148.0270 148.2247 148.4180 148.4904 148.5965 149.1274 149.5643 149.6898 149.7944 150.2948 150.4899 150.5816 151.0481 151.4737 151.8089 152.0157 152.3364 152.5003 153.2088 153.6191 153.8373 154.4599 154.5564 154.8503 155.5613 155.7518 156.1012 156.5257 156.9389 157.1129 157.2955 157.5516 157.8128 158.5490 159.0301 159.2222 159.3031 159.4954 159.7266 160.3304 160.9158 161.1414 161.6281 162.4236 162.8275 163.9209 164.7649 165.2603 167.0677 168.2944 168.4952 169.9498 172.3419 172.4232 172.7799 173.2529 174.3149 175.7588 177.3886 178.7914 179.3913 181.5408 182.4113 184.8997 186.4441 186.7211 187.4497 189.3018 189.9224 191.6049 192.3342 193.6961 196.1407 196.6043 199.1010 201.5686 205.0063 206.7268 206.8532 221.2792 222.1331 222.9759 223.1056 223.7563 224.2079 225.9494 226.5316 228.3380 229.9226 294.5728 295.9683 296.2138 299.6450 309.2754 314.5727 607.8972 618.4175 621.6571 625.2088 630.1207 631.0616 631.6672 632.7374 633.9085 634.1926 634.4802 635.2261 636.5708 636.7323 637.5921 640.0032 642.0666 643.4389 647.2428 650.3653 657.3138 658.1362 704.9334 712.9485 876.6982 1200.5513 1212.6089 1215.3383 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 -0.029450 -0.042706 -0.255338 -0.381009 -0.292752 -0.003102 0.129366 -0.028817 -0.138489 -0.250778 -0.269181 -0.256582 0.347884 0.108379 0.336128 0.039112 -0.261417 -0.157462 -0.229704 0.217658 -0.141441 -0.126332 0.208949 -0.152557 -0.179157 -0.118710 -0.105387 -0.129090 0.113268 0.105652 0.088999 0.084733 0.102840 0.094284 0.097093 0.086840 0.119702 0.117621 0.115283 0.120870 0.133290 0.134249 0.135325 0.127263 0.129452 0.127175 0.128045 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 17.0294 17.0427 8.2553 8.3810 8.2928 7.0031 5.8706 6.0288 6.1385 6.2508 6.2692 6.2566 5.6521 5.8916 5.6639 5.9609 6.2614 6.1575 6.2297 5.7823 6.1414 6.1263 5.7911 6.1526 6.1792 6.1187 6.1054 6.1291 0.8867 0.8943 0.9110 0.9153 0.8972 0.9057 0.9029 0.9132 0.8803 0.8824 0.8847 0.8791 0.8667 0.8658 0.8647 0.8727 0.8705 0.8728 0.8720 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 -0.0294 -0.0427 -0.2553 -0.3810 -0.2928 -0.0031 0.1294 -0.0288 -0.1385 -0.2508 -0.2692 -0.2566 0.3479 0.1084 0.3361 0.0391 -0.2614 -0.1575 -0.2297 0.2177 -0.1414 -0.1263 0.2089 -0.1526 -0.1792 -0.1187 -0.1054 -0.1291 0.1133 0.1057 0.0890 0.0847 0.1028 0.0943 0.0971 0.0868 0.1197 0.1176 0.1153 0.1209 0.1333 0.1342 0.1353 0.1273 0.1295 0.1272 0.1280 1.3269 1.2641 2.1307 2.1160 2.1111 3.1198 3.7153 3.8505 3.8739 3.8989 3.9129 3.9242 4.2071 4.1999 3.8185 3.6028 4.0251 4.0529 4.0036 3.9032 3.9168 3.9056 3.8313 3.9675 4.0309 3.9417 3.9371 3.9475 1.0249 1.0259 1.0022 1.0023 1.0207 1.0008 1.0064 1.0009 1.0165 1.0201 1.0325 1.0215 1.0015 1.0050 1.0025 1.0119 0.9995 0.9992 0.9998 1.3269 1.2641 2.1307 2.1160 2.1111 3.1198 3.7153 3.8505 3.8739 3.8989 3.9129 3.9242 4.2071 4.1999 3.8185 3.6028 4.0251 4.0529 4.0036 3.9032 3.9168 3.9056 3.8313 3.9675 4.0309 3.9417 3.9371 3.9475 1.0249 1.0259 1.0022 1.0023 1.0207 1.0008 1.0064 1.0009 1.0165 1.0201 1.0325 1.0215 1.0015 1.0050 1.0025 1.0119 0.9995 0.9992 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 1.2121 1.1450 1.1399 0.8824 1.9222 1.0133 0.9139 3.0615 0.9564 0.8617 0.9563 0.9268 0.8972 0.9803 1.0006 1.0236 1.0202 0.9913 0.9897 0.9844 0.9956 0.9906 0.9898 1.8693 0.9770 0.9100 0.9223 1.0004 1.4133 1.3295 1.4308 0.9509 1.4556 0.9966 1.3728 1.4019 0.9871 0.9606 1.3859 1.4342 1.4329 0.9675 1.4282 0.9717 1.4261 0.9717 1.4314 0.9734 0.9756 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 -0.026105894 -2050.684815295843 3.74566 -5.24242 -1.49676 -3.86775 4.10891 0.24116 15.66846 -15.31311 0.35535 1.55715 3.95797