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:-3.1048,-3.8313,-.4735;-3.1155,-6.6133,.2923;-.1197,-.899,-.9074;-.736,-.5654,1.2171;2.3046,4.3031,.7717;-.5492,.8711,-3.6803;.6812,-3.3498,1.5935;-.8024,-3.5168,1.6026;-.1582,-2.7662,.4656;1.3228,-2.4528,2.6227;1.541,-4.5291,1.2047;-1.4299,-4.8353,1.3646;-.3812,-1.3127,.3492;-2.4169,-5.0589,.5071;-.1515,.5001,-1.1246;1.1415,1.1668,-.7097;-.3758,.6835,-2.5607;1.0977,2.4271,-.1368;2.3582,.5363,-.9376;2.2839,3.0753,.1891;3.5311,1.1796,-.5787;3.5029,2.4497,-.0253;1.4375,5.275,.3567;1.0927,5.444,-.9789;.9491,6.1394,1.3255;.2427,6.48,-1.3335;.11,7.1782,.9537;-.2518,7.351,-.374;-1.3329,-2.8843,2.3106;-.0769,-3.2853,-.4821;2.2388,-2.0056,2.2326;1.592,-3.0412,3.5015;.6723,-1.6464,2.9518;1.7493,-5.1555,2.0742;2.4986,-4.1895,.8078;1.0724,-5.1578,.4472;-1.081,-5.6779,1.9506;-.991,.9588,-.5916;.1446,2.9046,.0568;2.3948,-.4437,-1.394;4.4832,.6949,-.7481;4.4182,2.9605,.2426;1.4826,4.7801,-1.7397;1.2319,5.9963,2.36;-.0264,6.6082,-2.3736;-.2679,7.8517,1.7114;-.9122,8.1584,-.6592; 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 2717.7484718971 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 6.987e-06 Time for diagonalization 0.310 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.255 sec Total time needed 0.576 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:-3.1048,-3.8313,-.4735;-3.1155,-6.6133,.2923;-.1197,-.899,-.9074;-.736,-.5654,1.2171;2.3046,4.3031,.7717;-.5492,.8711,-3.6803;.6812,-3.3498,1.5935;-.8024,-3.5168,1.6026;-.1582,-2.7662,.4656;1.3228,-2.4528,2.6227;1.541,-4.5291,1.2047;-1.4299,-4.8353,1.3646;-.3812,-1.3127,.3492;-2.4169,-5.0589,.5071;-.1515,.5001,-1.1246;1.1415,1.1668,-.7097;-.3758,.6835,-2.5607;1.0977,2.4271,-.1368;2.3582,.5363,-.9376;2.2839,3.0753,.1891;3.5311,1.1796,-.5787;3.5029,2.4497,-.0253;1.4375,5.275,.3567;1.0927,5.444,-.9789;.9491,6.1394,1.3255;.2427,6.48,-1.3335;.11,7.1782,.9537;-.2518,7.351,-.374;-1.3329,-2.8843,2.3106;-.0769,-3.2853,-.4821;2.2388,-2.0056,2.2326;1.592,-3.0412,3.5015;.6723,-1.6464,2.9518;1.7493,-5.1555,2.0742;2.4986,-4.1895,.8078;1.0724,-5.1578,.4472;-1.081,-5.6779,1.9506;-.991,.9588,-.5916;.1446,2.9046,.0568;2.3948,-.4437,-1.394;4.4831,.6949,-.7481;4.4182,2.9605,.2426;1.4826,4.7801,-1.7397;1.2319,5.9963,2.36;-.0264,6.6082,-2.3736;-.2679,7.8517,1.7114;-.9122,8.1584,-.6592; 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:-3.1048,-3.8313,-.4735;-3.1155,-6.6133,.2923;-.1197,-.899,-.9074;-.736,-.5654,1.2171;2.3046,4.3031,.7717;-.5492,.8711,-3.6803;.6812,-3.3498,1.5935;-.8024,-3.5168,1.6026;-.1582,-2.7662,.4656;1.3228,-2.4528,2.6227;1.541,-4.5291,1.2047;-1.4299,-4.8353,1.3646;-.3812,-1.3127,.3492;-2.4169,-5.0589,.5071;-.1515,.5001,-1.1246;1.1415,1.1668,-.7097;-.3758,.6835,-2.5607;1.0977,2.4271,-.1368;2.3582,.5363,-.9376;2.2839,3.0753,.1891;3.5311,1.1796,-.5787;3.5029,2.4497,-.0253;1.4375,5.275,.3567;1.0927,5.444,-.9789;.9491,6.1394,1.3255;.2427,6.48,-1.3335;.11,7.1782,.9537;-.2518,7.351,-.374;-1.3329,-2.8843,2.3106;-.0769,-3.2853,-.4821;2.2388,-2.0056,2.2326;1.592,-3.0412,3.5015;.6723,-1.6464,2.9518;1.7493,-5.1555,2.0742;2.4986,-4.1895,.8078;1.0724,-5.1578,.4472;-1.081,-5.6779,1.9506;-.991,.9588,-.5916;.1446,2.9046,.0568;2.3948,-.4437,-1.394;4.4832,.6949,-.7481;4.4182,2.9605,.2426;1.4826,4.7801,-1.7397;1.2319,5.9963,2.36;-.0264,6.6082,-2.3736;-.2679,7.8517,1.7114;-.9122,8.1584,-.6592; -2050.65900172 2717.74847190 -4768.40747362 -8210.82989291 3442.42241929 -4095.19606793 2044.53706621 2.00299429 108.000032214524 108.000032214524 216.000064429048 -151.871242212893 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 -2765.7917 -2765.7504 -525.3066 -524.7569 -523.4286 -392.7142 -283.7383 -283.0971 -283.0027 -281.9053 -281.6766 -280.9361 -280.9202 -280.7582 -280.6568 -280.5997 -280.5901 -280.2816 -280.2719 -280.1442 -280.1187 -279.9993 -279.9938 -279.9301 -279.8794 -279.8778 -279.8014 -279.6435 -261.0601 -261.0187 -199.9031 -199.8638 -199.6580 -199.6448 -199.6121 -199.6058 -34.2507 -33.1769 -31.6607 -28.6772 -28.2214 -27.9262 -27.3874 -26.8133 -26.1622 -25.5432 -24.3637 -24.3374 -23.9581 -23.8251 -23.4287 -23.1313 -22.4033 -21.4661 -20.8453 -20.2526 -19.8815 -19.6631 -19.2586 -18.5848 -18.1787 -18.0665 -17.6986 -17.3994 -17.2387 -16.6966 -16.4186 -16.3144 -16.1534 -16.0472 -15.9741 -15.9149 -15.3663 -15.0971 -15.0213 -14.8899 -14.5806 -14.4782 -14.2431 -14.1489 -14.0667 -14.0368 -13.8874 -13.5710 -13.4378 -13.2202 -13.1645 -13.1263 -12.9411 -12.8017 -12.6495 -12.5024 -12.3616 -12.1968 -12.1879 -12.1102 -11.8833 -11.8458 -11.4653 -11.3567 -11.0146 -10.8638 -10.6103 -9.8967 -9.6053 -9.5294 -9.4415 -8.6085 0.8747 1.1184 1.2290 1.6140 1.8592 1.9148 2.4133 2.5694 2.7606 3.0045 3.3167 3.3721 3.6212 3.6717 3.7090 3.8838 4.1004 4.1888 4.2609 4.4916 4.5320 4.6850 4.7959 4.9339 4.9366 5.1863 5.2616 5.3697 5.3829 5.6597 5.8220 5.9253 6.0074 6.0814 6.2204 6.2279 6.3289 6.5765 6.7740 6.9530 6.9741 7.0644 7.2247 7.4655 7.5237 7.5596 7.6806 7.7213 7.8067 7.8987 7.9915 8.0641 8.1013 8.2522 8.3286 8.4173 8.5533 8.6554 8.7647 8.8468 8.9880 9.0864 9.1562 9.2388 9.2701 9.3926 9.4521 9.5775 9.7036 9.8086 9.9665 10.0635 10.1578 10.1820 10.2002 10.4499 10.5568 10.6567 10.7208 10.8655 10.9376 11.1331 11.1744 11.2185 11.3318 11.3990 11.5017 11.6453 11.6894 11.7651 11.7891 11.9246 12.0483 12.1052 12.1881 12.2683 12.3664 12.4864 12.5810 12.7552 12.7718 12.7890 12.8531 12.9729 13.1161 13.2446 13.2881 13.3922 13.4446 13.5495 13.6424 13.7183 13.8293 13.9387 13.9673 14.0474 14.1174 14.2685 14.2997 14.3464 14.4269 14.4841 14.5789 14.7225 14.7833 14.8510 14.9586 15.0138 15.0545 15.1355 15.2810 15.3902 15.6395 15.6579 15.7315 15.7988 15.8647 15.9011 16.0578 16.1244 16.2353 16.3610 16.4561 16.6176 16.6427 16.7729 16.9962 17.0970 17.2486 17.4193 17.5890 17.6708 17.7414 17.8988 18.0328 18.0759 18.2234 18.4789 18.6746 18.7445 18.7925 19.0033 19.0558 19.3767 19.5332 19.6330 19.8348 19.8943 19.9183 20.0484 20.2876 20.3220 20.4460 20.5928 20.6374 20.6957 20.9759 21.0876 21.1431 21.2171 21.3274 21.3533 21.5288 21.6232 21.6676 21.8861 21.9413 22.0350 22.4522 22.6397 22.7433 22.8744 22.9613 23.0345 23.1780 23.3391 23.5142 23.7049 23.7737 23.8713 23.9225 24.0813 24.2825 24.5540 24.5986 24.8181 24.9429 25.1658 25.2545 25.3449 25.4806 25.8136 25.9305 26.0910 26.4110 26.5369 26.6144 26.7888 26.9049 27.0172 27.0871 27.1791 27.2741 27.5496 27.6684 27.8801 27.9103 28.0119 28.2844 28.4705 28.5791 28.7198 28.8624 28.9936 29.0961 29.1104 29.2377 29.3021 29.4354 29.5190 29.6172 29.8652 30.0260 30.1985 30.2763 30.4364 30.5349 30.8179 30.9466 31.0167 31.0995 31.3059 31.4170 31.5872 31.8234 32.0024 32.0216 32.1905 32.3402 32.5453 32.6550 32.8258 32.9898 33.0336 33.0623 33.1475 33.2972 33.4174 33.7026 33.7811 33.9320 33.9851 34.1061 34.3012 34.4275 34.5043 34.7883 34.8632 35.0312 35.1839 35.3844 35.4013 35.4750 35.6721 35.8964 36.0816 36.1929 36.3203 36.6152 36.7182 36.8108 36.9365 37.1157 37.1902 37.2523 37.3783 37.5275 37.8341 37.9269 37.9570 38.1055 38.1294 38.2464 38.4062 38.4801 38.5782 38.7198 38.7951 38.9001 39.0683 39.1652 39.2786 39.3921 39.6641 39.8123 39.9166 40.0383 40.3209 40.3587 40.4801 40.6221 40.6697 40.9775 41.1667 41.2879 41.4278 41.5317 41.5655 41.6678 41.9444 42.0957 42.1969 42.3407 42.4133 42.6011 42.7309 42.8214 43.0261 43.1711 43.2359 43.3867 43.5098 43.6833 43.8545 43.9198 44.1005 44.1868 44.3817 44.4657 44.6046 44.7776 44.9471 45.1793 45.3127 45.3583 45.4847 45.6462 45.8804 46.0491 46.1594 46.2516 46.4009 46.6022 46.8355 46.8808 47.0469 47.0934 47.3517 47.4673 47.5583 47.8018 48.0785 48.0836 48.2896 48.4112 48.4630 48.8176 49.0762 49.3669 49.4672 49.6730 49.8256 50.0734 50.2068 50.3386 50.4254 50.6328 50.7124 50.8168 50.9091 51.1593 51.2667 51.5642 51.6395 51.8860 51.9638 52.0817 52.3473 52.3985 52.6092 52.6264 52.8155 53.0599 53.2750 53.3979 53.7660 53.8824 54.0867 54.5202 54.5272 54.7009 54.8132 55.0808 55.1461 55.7153 55.8725 56.0501 56.1603 56.3558 56.3925 56.6681 56.8637 56.9144 56.9659 57.1100 57.2832 57.5731 57.6603 57.7369 58.0863 58.2327 58.7376 58.7847 59.0274 59.1021 59.2884 59.4517 59.5522 59.6734 59.8078 59.8606 60.1537 60.3496 60.5061 60.8802 61.3539 61.4788 61.6253 61.6563 62.1512 62.2772 62.6526 62.8709 62.9867 63.2426 63.4346 63.5128 63.5695 63.8400 63.9786 64.2129 64.3143 64.4654 64.6450 64.8384 65.0958 65.2524 65.5589 65.6470 65.7511 66.0146 66.2963 66.3883 66.6640 67.0383 67.0821 67.2709 67.3168 67.3835 67.6131 67.6772 67.9929 68.2982 68.4417 68.4463 68.6195 68.8188 69.0614 69.3872 69.7705 69.9957 70.1571 70.6617 70.9532 71.1392 71.3462 71.7202 71.7483 72.1044 72.1967 72.6001 72.9387 73.3304 73.3962 73.5821 73.8234 73.8978 74.2868 74.5543 74.7534 74.9465 75.0816 75.4365 75.6638 75.8234 76.0170 76.1508 76.2613 76.4129 76.5216 76.5621 76.9189 77.0508 77.2014 77.5197 77.5941 77.6975 77.8854 78.0454 78.1883 78.2629 78.4161 78.5470 78.6888 78.8035 78.9778 79.0401 79.1701 79.3471 79.4413 79.6441 79.6951 79.8488 80.0599 80.1505 80.3475 80.4458 80.5364 80.5471 80.9311 81.1146 81.3818 81.4180 81.5797 81.7365 81.9038 82.0269 82.0697 82.3191 82.4120 82.4425 82.5401 82.7513 82.9576 83.0026 83.0837 83.3601 83.6099 83.8180 83.8458 84.0407 84.2333 84.3273 84.4216 84.5947 84.6394 84.8222 84.9818 85.0544 85.1549 85.3189 85.3948 85.5136 85.5757 85.6833 85.8906 86.0026 86.0647 86.2034 86.2562 86.4519 86.4612 86.6824 86.7850 86.9771 87.0606 87.4765 87.5806 87.6879 87.7599 88.0349 88.2620 88.2664 88.5391 88.5503 88.6066 88.6894 88.7819 88.9531 88.9566 89.0458 89.2255 89.3282 89.4334 89.5281 89.7588 89.9743 90.0044 90.0773 90.2143 90.3331 90.4372 90.6895 90.7611 90.8529 91.0753 91.3041 91.4074 91.5474 91.7609 91.8246 91.9316 92.1200 92.3349 92.4533 92.6074 92.6484 92.7622 92.8782 93.0179 93.1431 93.1899 93.2630 93.3532 93.5324 93.5920 93.6803 93.7619 93.9747 94.2227 94.3418 94.4235 94.6419 94.8812 94.9757 95.0496 95.2385 95.2500 95.3672 95.5580 95.5994 95.7423 95.9166 96.1438 96.2960 96.3773 96.5292 96.5688 96.6438 96.9317 97.1246 97.1405 97.2331 97.4087 97.4762 97.7177 97.7722 97.9123 98.0167 98.2195 98.4182 98.4871 98.5644 98.7727 98.8460 99.0933 99.1481 99.5116 99.6567 99.8622 100.0360 100.2441 100.3066 100.7235 100.7942 100.9258 101.1441 101.4471 101.5901 101.8938 102.0781 102.2831 102.3174 102.4667 102.7372 102.9903 103.3455 103.4621 103.7547 104.0063 104.2011 104.3727 104.5314 104.6518 104.6968 104.9296 105.1373 105.2087 105.3530 105.4208 105.5914 105.6469 105.6936 105.8124 106.0327 106.1095 106.2199 106.2949 106.4069 106.8082 106.8459 107.0379 107.1275 107.3005 107.3877 107.5823 107.7569 107.8562 108.1263 108.2506 108.4206 108.7048 108.8051 109.0168 109.2793 109.5235 109.8617 109.9412 110.0438 110.1635 110.4359 110.5498 110.6154 110.8264 110.9415 111.0353 111.1583 111.4672 111.5554 111.8850 112.0274 112.1777 112.2638 112.4715 112.6216 112.8923 113.0814 113.1153 113.2739 113.5660 113.6588 113.8053 113.9823 114.0434 114.2504 114.4157 114.7261 114.8722 115.0163 115.1292 115.2551 115.5155 115.6873 115.9520 115.9628 116.1318 116.3240 116.3405 116.6918 116.7162 116.8670 117.0462 117.0928 117.2216 117.4199 117.6314 117.6744 117.8578 117.9023 117.9833 118.0935 118.3254 118.4174 118.5912 118.8158 118.9633 119.1472 119.2864 119.3155 119.7481 119.9122 119.9739 120.1815 120.3682 120.4758 120.6316 120.8937 120.9847 121.3519 121.5386 121.6049 121.7499 122.0170 122.0625 122.5241 122.5724 122.6498 122.9317 123.3990 123.4808 123.9733 124.4554 124.8763 125.0465 125.4131 125.5749 125.7435 126.1682 126.2869 126.3633 126.8127 127.1679 127.2279 127.6122 127.8440 128.0624 128.1848 128.4804 128.9184 128.9929 129.0268 129.2008 129.5659 129.7548 129.8481 129.9662 130.0525 130.3974 130.4633 130.5834 131.0344 131.1568 131.3289 131.5378 131.7092 131.8292 132.1433 132.3162 132.7340 132.8421 132.9379 133.2025 133.6916 133.8334 133.9015 134.0353 134.4833 134.7679 135.0567 135.1215 135.4942 135.7374 136.1290 136.4531 136.9841 137.2218 137.7505 137.8695 137.9838 138.0448 138.2885 138.4574 138.9284 139.0869 139.2763 140.1162 140.1702 140.6864 141.0243 141.1681 141.3585 141.7499 142.4503 142.7009 143.3954 143.5287 143.6946 143.9829 144.0953 144.1549 144.2316 144.4939 144.6638 144.8530 145.2814 145.4286 145.5299 145.9118 145.9952 146.1590 146.6993 146.8745 147.2606 147.4723 147.6987 147.9457 148.2085 148.2213 148.3646 148.8715 149.1065 149.4852 149.6522 150.0129 150.1299 150.2905 150.6711 151.0012 151.4263 151.8687 152.0436 152.2722 152.5378 152.9943 153.7542 153.8853 154.2672 154.6528 154.6942 155.2322 155.6676 155.7819 156.1707 156.8203 156.9210 157.1362 157.2125 157.9664 158.4554 158.9132 159.1078 159.1839 159.5534 160.2007 160.6266 161.1375 161.2451 161.7150 162.0573 162.3046 163.3175 164.1679 165.5731 166.8714 168.0672 169.0295 170.2039 171.4091 172.2733 173.0492 173.2936 174.5837 175.7256 177.7068 178.5544 179.1291 180.6189 181.9922 185.2261 186.4495 186.6663 187.3875 189.1613 189.5893 192.1828 192.5101 193.3219 195.3610 196.2584 198.8624 202.1685 204.9854 206.4109 206.8850 221.3025 222.0828 222.2424 222.9021 223.2836 223.6318 225.7691 226.0286 228.0842 229.5112 294.5449 294.8790 295.8216 298.2189 308.6642 313.2703 607.3838 617.9826 620.5011 625.3320 629.6914 630.7231 631.8144 632.4574 633.8593 634.0018 634.2373 635.1787 636.5706 636.7826 637.4144 639.6439 642.0967 642.2993 647.3044 650.1655 657.2657 658.1118 703.9369 709.6022 876.5789 1200.5117 1212.4102 1214.8178 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 -0.027995 -0.039370 -0.268550 -0.366255 -0.297740 -0.000096 0.113061 -0.003833 -0.167297 -0.244705 -0.267535 -0.251705 0.348637 0.093377 0.310305 0.077589 -0.253281 -0.172168 -0.199587 0.214407 -0.096504 -0.185104 0.251343 -0.171933 -0.216976 -0.113800 -0.086186 -0.147873 0.107559 0.110097 0.087501 0.087370 0.103664 0.093713 0.094594 0.090599 0.118781 0.123885 0.118464 0.127175 0.128851 0.130329 0.136881 0.126076 0.131150 0.126280 0.126806 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 17.0280 17.0394 8.2686 8.3663 8.2977 7.0001 5.8869 6.0038 6.1673 6.2447 6.2675 6.2517 5.6514 5.9066 5.6897 5.9224 6.2533 6.1722 6.1996 5.7856 6.0965 6.1851 5.7487 6.1719 6.2170 6.1138 6.0862 6.1479 0.8924 0.8899 0.9125 0.9126 0.8963 0.9063 0.9054 0.9094 0.8812 0.8761 0.8815 0.8728 0.8711 0.8697 0.8631 0.8739 0.8688 0.8737 0.8732 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 -0.0280 -0.0394 -0.2686 -0.3663 -0.2977 -0.0001 0.1131 -0.0038 -0.1673 -0.2447 -0.2675 -0.2517 0.3486 0.0934 0.3103 0.0776 -0.2533 -0.1722 -0.1996 0.2144 -0.0965 -0.1851 0.2513 -0.1719 -0.2170 -0.1138 -0.0862 -0.1479 0.1076 0.1101 0.0875 0.0874 0.1037 0.0937 0.0946 0.0906 0.1188 0.1239 0.1185 0.1272 0.1289 0.1303 0.1369 0.1261 0.1312 0.1263 0.1268 1.3034 1.2657 2.1087 2.1374 2.1134 3.1223 3.7331 3.8405 3.8762 3.9007 3.9133 3.9094 4.1990 4.2075 3.8266 3.6488 4.0189 4.0008 4.0087 3.8727 3.9429 4.0349 3.7943 3.9355 4.0420 3.9502 3.9313 3.9660 1.0268 1.0237 1.0033 1.0030 1.0200 1.0021 1.0066 1.0000 1.0177 1.0250 1.0130 1.0193 0.9995 1.0107 1.0032 1.0139 0.9991 0.9986 1.0002 1.3034 1.2657 2.1087 2.1374 2.1134 3.1223 3.7331 3.8405 3.8762 3.9007 3.9133 3.9094 4.1990 4.2075 3.8266 3.6488 4.0189 4.0008 4.0087 3.8727 3.9429 4.0349 3.7943 3.9355 4.0420 3.9502 3.9313 3.9660 1.0268 1.0237 1.0033 1.0030 1.0200 1.0021 1.0066 1.0000 1.0177 1.0250 1.0130 1.0193 0.9995 1.0107 1.0032 1.0139 0.9991 0.9986 1.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.2105 1.1497 1.1152 0.8699 1.9687 0.9786 0.9547 3.0586 0.9583 0.8361 0.9641 0.9320 0.9361 0.9689 0.9950 1.0082 1.0227 0.9903 0.9904 0.9828 0.9961 0.9898 0.9869 1.8701 0.9763 0.8927 0.9319 1.0041 1.3911 1.3602 1.3964 0.9426 1.4525 0.9732 1.4287 1.4365 0.9750 0.9682 1.3611 1.4166 1.4359 0.9623 1.4461 0.9712 1.4365 0.9708 1.4240 0.9748 0.9771 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 -0.024272093 -2050.683273817440 26.52127 -25.51693 1.00433 22.49856 -22.82728 -0.32872 11.47936 -10.21364 1.26572 1.64888 4.19111