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:-.5505,4.4863,.5048;-2.666,5.9974,-.7502;1.3161,.8559,-.479;-.1731,.2533,1.0827;1.3388,-4.6019,.6712;4.5283,1.5631,-.1828;-2.2124,.8431,-1.2229;-2.1816,1.9801,-.2582;-.8834,1.4796,-.844;-2.5867,-.5284,-.7176;-2.6638,1.0984,-2.6411;-2.681,3.3242,-.6228;.0788,.796,.0409;-2.0489,4.4524,-.3279;2.3523,.1777,.2277;2.4786,-1.2467,-.2558;3.5693,.9556,-.0104;1.8524,-2.2545,.4661;3.1579,-1.5405,-1.4312;1.9012,-3.5628,-.0003;3.2123,-2.8512,-1.8761;2.5829,-3.8638,-1.1718;.1993,-4.4048,1.4018;.1599,-4.9219,2.6873;-.9065,-3.7588,.8643;-.9981,-4.792,3.4395;-2.0535,-3.6277,1.6299;-2.1058,-4.1418,2.9178;-2.3313,1.7063,.7836;-.4302,2.0897,-1.6166;-2.1233,-1.3051,-1.3295;-3.6684,-.6579,-.7866;-2.2951,-.6945,.3166;-3.7495,1.0121,-2.7205;-2.225,.3643,-3.3182;-2.3812,2.0883,-3.0008;-3.6311,3.4026,-1.1382;2.1532,.1912,1.3034;1.3235,-2.0161,1.3803;3.6532,-.7581,-1.9915;3.7467,-3.0885,-2.786;2.6201,-4.8882,-1.5183;1.0302,-5.4246,3.0883;-.8739,-3.3612,-.1422;-1.0287,-5.1971,4.4424;-2.9151,-3.1245,1.2108;-3.0051,-4.0376,3.5095; 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 2807.6138547791 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 6.907e-06 Time for diagonalization 0.746 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.602 sec Total time needed 1.358 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:-.5505,4.4863,.5048;-2.666,5.9974,-.7502;1.3161,.8559,-.479;-.1731,.2533,1.0827;1.3388,-4.6019,.6712;4.5283,1.5631,-.1828;-2.2124,.8431,-1.2229;-2.1816,1.9801,-.2582;-.8834,1.4796,-.844;-2.5867,-.5284,-.7176;-2.6638,1.0984,-2.6411;-2.681,3.3242,-.6228;.0788,.796,.0409;-2.0489,4.4524,-.3279;2.3523,.1777,.2277;2.4786,-1.2467,-.2558;3.5693,.9556,-.0104;1.8524,-2.2545,.4661;3.1579,-1.5405,-1.4312;1.9012,-3.5628,-.0003;3.2123,-2.8512,-1.8761;2.5829,-3.8638,-1.1718;.1993,-4.4048,1.4018;.1599,-4.9219,2.6873;-.9065,-3.7588,.8643;-.9981,-4.792,3.4395;-2.0535,-3.6277,1.6299;-2.1058,-4.1418,2.9178;-2.3313,1.7063,.7836;-.4302,2.0897,-1.6166;-2.1233,-1.3051,-1.3295;-3.6684,-.6579,-.7866;-2.2951,-.6945,.3166;-3.7495,1.0121,-2.7205;-2.225,.3643,-3.3182;-2.3812,2.0883,-3.0008;-3.6311,3.4026,-1.1382;2.1532,.1912,1.3034;1.3235,-2.0161,1.3803;3.6532,-.7581,-1.9915;3.7467,-3.0885,-2.786;2.6201,-4.8882,-1.5183;1.0302,-5.4246,3.0883;-.8739,-3.3612,-.1422;-1.0287,-5.1971,4.4424;-2.9151,-3.1245,1.2108;-3.0051,-4.0376,3.5095; 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:-.5505,4.4863,.5048;-2.666,5.9974,-.7502;1.3161,.8559,-.479;-.1731,.2533,1.0827;1.3388,-4.6019,.6712;4.5283,1.5631,-.1828;-2.2124,.8431,-1.2229;-2.1816,1.9801,-.2582;-.8834,1.4796,-.844;-2.5867,-.5284,-.7176;-2.6638,1.0984,-2.6411;-2.681,3.3242,-.6228;.0788,.796,.0409;-2.0489,4.4524,-.3279;2.3523,.1777,.2277;2.4786,-1.2467,-.2558;3.5693,.9556,-.0104;1.8524,-2.2545,.4661;3.1579,-1.5405,-1.4312;1.9012,-3.5628,-.0003;3.2123,-2.8512,-1.8761;2.5829,-3.8638,-1.1718;.1993,-4.4048,1.4018;.1599,-4.9219,2.6873;-.9065,-3.7588,.8643;-.9981,-4.792,3.4395;-2.0535,-3.6277,1.6299;-2.1058,-4.1418,2.9178;-2.3313,1.7063,.7836;-.4302,2.0897,-1.6166;-2.1233,-1.3051,-1.3295;-3.6684,-.6579,-.7866;-2.2951,-.6945,.3166;-3.7495,1.0121,-2.7205;-2.225,.3643,-3.3182;-2.3812,2.0883,-3.0008;-3.6311,3.4026,-1.1382;2.1532,.1912,1.3034;1.3235,-2.0161,1.3803;3.6532,-.7581,-1.9915;3.7467,-3.0885,-2.786;2.6201,-4.8882,-1.5183;1.0302,-5.4246,3.0883;-.8739,-3.3612,-.1422;-1.0287,-5.1971,4.4424;-2.9151,-3.1245,1.2108;-3.0051,-4.0376,3.5095; -2050.65958341 2807.61385478 -4858.27343819 -8390.48166176 3532.20822357 -4095.19744721 2044.53786379 2.00299418 108.000206944173 108.000206944173 216.000413888346 -151.871563895106 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 -2765.7911 -2765.7606 -525.2919 -524.7463 -523.4166 -392.7314 -283.7511 -283.0950 -282.9682 -281.8913 -281.6749 -280.9550 -280.9451 -280.7041 -280.6771 -280.6015 -280.5983 -280.2326 -280.2036 -280.1110 -280.1053 -280.0664 -280.0433 -280.0010 -279.9412 -279.9083 -279.8802 -279.7494 -261.0592 -261.0290 -199.9020 -199.8739 -199.6574 -199.6437 -199.6223 -199.6162 -34.2033 -33.1706 -31.6306 -28.6890 -28.2409 -27.9462 -27.3599 -26.8574 -26.1718 -25.5405 -24.3684 -24.3376 -23.9376 -23.8828 -23.4840 -23.1095 -22.4683 -21.4460 -20.8278 -20.1976 -19.9306 -19.6015 -19.3911 -18.6741 -18.2677 -18.1088 -17.6572 -17.3158 -17.2159 -16.5962 -16.4257 -16.3634 -16.1824 -16.0772 -16.0421 -15.8189 -15.3800 -15.1370 -15.0422 -14.8657 -14.5610 -14.5405 -14.2807 -14.1858 -14.0926 -14.0558 -13.8610 -13.5762 -13.4599 -13.2725 -13.1876 -13.0284 -12.9241 -12.8700 -12.7096 -12.5575 -12.4139 -12.2012 -12.1829 -12.1554 -11.8499 -11.8217 -11.4549 -11.3783 -11.0700 -10.8612 -10.6480 -9.8818 -9.6249 -9.5351 -9.4388 -8.6628 0.8057 1.1696 1.2678 1.5442 1.8379 1.9055 2.4083 2.6419 2.7008 2.9805 3.1628 3.4846 3.5672 3.7108 3.8108 3.9297 4.0489 4.1836 4.3667 4.4806 4.6106 4.7197 4.7542 4.8819 5.0085 5.1942 5.3054 5.5030 5.5618 5.6983 5.7795 5.8539 5.8833 6.0040 6.3195 6.3977 6.5881 6.7414 6.7635 6.9257 7.0389 7.1801 7.3966 7.4212 7.5144 7.5897 7.6772 7.7691 7.7892 7.9073 8.0969 8.1245 8.3259 8.3385 8.4238 8.5381 8.6205 8.6984 8.8375 9.0090 9.0609 9.1340 9.2488 9.2888 9.3778 9.5128 9.6382 9.6917 9.7843 9.8904 9.9856 10.1189 10.2327 10.2482 10.3788 10.5190 10.5949 10.7392 10.8555 10.9212 11.0306 11.1379 11.2477 11.3036 11.4005 11.5460 11.5885 11.7044 11.7363 11.8449 11.8999 11.9567 12.0868 12.1698 12.2634 12.3383 12.4377 12.6151 12.6549 12.7194 12.8098 12.8743 12.9633 13.0528 13.0945 13.2460 13.3567 13.4828 13.5533 13.7012 13.7795 13.8842 13.9107 13.9665 14.0637 14.1083 14.1684 14.3157 14.4310 14.5022 14.5769 14.6711 14.7937 14.8377 14.9271 14.9774 15.1443 15.2003 15.2885 15.4039 15.4909 15.5743 15.6115 15.7698 15.9055 15.9358 16.0129 16.1864 16.3317 16.3950 16.5517 16.6848 16.7201 16.8514 17.0973 17.1873 17.2818 17.3788 17.4508 17.5562 17.6867 17.8860 18.0068 18.1787 18.2379 18.4270 18.4739 18.5978 18.8081 18.9905 19.0733 19.1658 19.3557 19.4687 19.6087 19.7026 19.7745 19.9455 20.0980 20.1491 20.3705 20.5723 20.6371 20.6744 20.7681 20.9384 20.9799 21.0686 21.2483 21.2652 21.3507 21.5642 21.6473 21.8055 21.8441 22.1265 22.2286 22.4546 22.6079 22.7305 22.8971 22.9754 23.0691 23.1878 23.2465 23.4635 23.7337 23.8599 24.0701 24.0894 24.1842 24.2321 24.4148 24.4763 24.7456 24.9269 25.0680 25.2713 25.3403 25.5967 25.6647 25.8684 26.0713 26.1786 26.4285 26.5290 26.7066 26.7923 27.0102 27.0794 27.1951 27.3571 27.4577 27.7179 27.8102 27.8796 28.0539 28.2315 28.3592 28.5180 28.7444 28.8057 28.8870 29.0604 29.1466 29.2188 29.3283 29.4640 29.5927 29.6288 29.7518 29.9393 30.0696 30.2486 30.4151 30.5309 30.7614 30.8690 31.0128 31.1541 31.3201 31.4527 31.5661 31.6478 31.8120 31.8878 32.0196 32.2436 32.3777 32.5911 32.6543 32.8382 32.9959 33.0394 33.2751 33.3157 33.5470 33.5983 33.7522 33.9001 33.9851 34.0998 34.2352 34.4466 34.5328 34.6586 34.7764 34.9399 35.1999 35.3019 35.5307 35.6624 35.7475 35.9485 35.9760 36.2574 36.3448 36.4630 36.5595 36.7174 36.8375 37.0912 37.1712 37.2440 37.3215 37.4582 37.6226 37.8246 37.8752 37.9888 38.1594 38.2448 38.2619 38.5350 38.5916 38.6787 38.8088 38.8902 39.0219 39.2127 39.2926 39.3347 39.5757 39.6911 39.8344 40.1381 40.3043 40.3304 40.5066 40.6321 40.6644 40.7928 41.0711 41.3192 41.4643 41.5751 41.6576 41.7434 41.8581 41.9749 42.2051 42.3130 42.4267 42.5715 42.8433 42.8930 42.9701 43.1181 43.1527 43.2803 43.3953 43.6547 43.9558 44.0412 44.1380 44.3084 44.3532 44.4158 44.4912 44.7950 44.8088 44.9638 45.0829 45.4063 45.5865 45.6460 45.7699 46.0224 46.2154 46.3170 46.4086 46.5405 46.6537 46.8442 46.9178 47.0874 47.3866 47.4293 47.7051 47.7245 47.9058 48.0178 48.2487 48.5300 48.6488 48.8130 49.0729 49.3377 49.3639 49.6761 49.8479 50.1135 50.2062 50.3346 50.4575 50.5956 50.7703 50.8726 50.9762 51.1107 51.2542 51.4133 51.5074 51.6426 51.8455 51.8702 52.0473 52.0834 52.4452 52.4907 52.8318 52.9326 52.9865 53.2132 53.3434 53.6417 53.9461 54.2441 54.3581 54.5765 54.8520 54.9842 55.1663 55.4607 55.7113 55.8777 56.0735 56.1357 56.2806 56.4427 56.6812 56.8830 57.1232 57.1380 57.3067 57.4606 57.6669 57.8064 57.9988 58.1756 58.2998 58.5409 59.0600 59.0806 59.1176 59.3082 59.5348 59.6031 59.8221 59.9632 60.0930 60.1968 60.4206 60.8051 61.0395 61.3172 61.4944 61.6243 61.6992 61.9262 62.2291 62.7181 62.8386 63.0373 63.2363 63.3804 63.5244 63.6044 63.8146 63.9844 64.0062 64.2010 64.4129 64.9308 65.0423 65.2242 65.3692 65.5536 65.8038 65.9010 66.0506 66.2618 66.3737 66.5349 66.9352 67.1614 67.2298 67.4705 67.4899 67.6379 67.7982 67.9259 67.9852 68.4056 68.5100 68.8092 68.9102 69.1545 69.3283 69.4562 69.9377 70.2982 70.6590 71.0885 71.4701 71.5689 71.9169 72.1585 72.3148 72.5170 73.0031 73.2104 73.5408 73.6671 73.9113 73.9451 74.1477 74.3450 74.6165 74.8865 75.1148 75.2612 75.3383 75.4998 75.7732 75.8589 76.0289 76.4005 76.4925 76.6881 76.8982 77.0334 77.1903 77.2812 77.2865 77.5585 77.6304 77.7859 78.1031 78.2807 78.4219 78.4930 78.6215 78.7639 78.9620 78.9684 79.1040 79.1333 79.3084 79.5614 79.7015 79.7576 79.9840 80.2709 80.3490 80.5221 80.5482 80.8669 81.1523 81.3572 81.3880 81.5898 81.6803 81.7339 81.8890 82.0016 82.0835 82.1312 82.4563 82.4992 82.5739 82.7029 82.7248 82.9931 83.1842 83.2600 83.6936 83.7408 83.7848 83.9564 84.2487 84.2752 84.3906 84.5081 84.5964 84.7634 84.9120 85.0776 85.1874 85.3210 85.3642 85.3718 85.5443 85.6774 85.7787 85.9595 86.1348 86.1606 86.2314 86.2827 86.5223 86.6804 86.7729 86.8936 87.0823 87.2352 87.4975 87.5344 87.7308 87.9170 88.0059 88.1613 88.2885 88.3895 88.5125 88.6274 88.7226 88.8516 88.9167 89.0608 89.1910 89.2714 89.3583 89.4204 89.6099 89.7366 89.8101 89.8946 90.2232 90.2714 90.3460 90.5969 90.7231 90.8178 91.1119 91.1714 91.3948 91.4177 91.7118 91.7917 91.8206 92.0963 92.2589 92.4053 92.4857 92.6281 92.6792 92.8250 92.9896 93.0370 93.2889 93.3482 93.4889 93.5131 93.6258 93.6400 93.8586 94.0489 94.0801 94.1495 94.4375 94.5100 94.5954 94.8347 94.8928 95.0513 95.1693 95.2760 95.3733 95.4902 95.7350 95.8184 95.9450 96.0783 96.1953 96.5030 96.6787 96.7500 96.8712 96.9955 97.0792 97.2054 97.4135 97.5095 97.6716 97.7948 97.8161 98.0299 98.1139 98.3107 98.5389 98.5930 98.6981 98.7232 98.9416 99.1443 99.2103 99.2971 99.5357 99.8256 100.1785 100.2192 100.4505 100.5351 100.8427 101.0941 101.2318 101.3817 101.6501 101.9327 102.0278 102.1099 102.3538 102.6459 102.8311 103.1887 103.4270 103.5158 103.8360 104.0193 104.0823 104.3922 104.6658 104.7148 104.7882 105.0818 105.1598 105.2815 105.3493 105.4587 105.5034 105.6440 105.8051 105.9206 106.0581 106.1231 106.2585 106.3612 106.5008 106.7139 106.9057 107.0052 107.2751 107.4927 107.6144 107.7576 107.8527 108.0277 108.3405 108.4129 108.7180 108.8406 109.0180 109.2821 109.3665 109.5879 109.9099 110.0803 110.3937 110.5713 110.6870 110.6957 110.7645 110.8860 111.0519 111.1419 111.2217 111.4639 111.6844 111.9183 112.1214 112.2903 112.4684 112.5453 112.8829 112.9518 113.0606 113.2010 113.2941 113.4616 113.6333 113.7703 113.9923 114.2285 114.5174 114.5935 114.7879 115.0150 115.1554 115.3387 115.4955 115.7553 115.8448 115.9300 116.1478 116.2131 116.5290 116.6135 116.8217 116.8312 116.9663 117.0520 117.2244 117.4622 117.5255 117.7370 117.8753 117.9903 118.0885 118.1312 118.2196 118.4486 118.5836 118.7214 118.9935 119.0928 119.2183 119.3411 119.4098 119.5183 119.7728 119.9284 119.9749 120.1528 120.3760 120.5985 120.6309 120.9205 121.1909 121.3967 121.6824 121.9120 122.1177 122.5852 122.6753 122.7742 123.0993 123.2504 123.5844 123.6839 124.0157 124.3392 124.7704 125.0045 125.4015 125.7328 125.7373 125.8153 126.3917 126.7720 126.9460 127.3304 127.5348 127.6249 127.9391 128.2389 128.4769 128.5504 128.9117 129.0477 129.2675 129.3447 129.5203 129.6116 129.7896 130.1859 130.2986 130.4311 130.7449 130.8037 130.9870 131.1695 131.3776 131.7171 131.8156 132.0685 132.3193 132.4672 132.7495 132.8452 133.1616 133.5946 133.7671 133.8559 134.0924 134.3641 134.6230 134.9763 135.0588 135.3508 135.6186 135.8955 136.1696 136.5954 137.0755 137.4408 137.6581 137.9059 138.0475 138.4060 138.5334 138.7335 138.9115 139.0756 139.4848 139.8738 140.1914 140.7474 141.0652 141.2530 141.7556 141.8269 142.3836 142.4729 143.5626 143.7084 144.0286 144.0624 144.1817 144.2006 144.3773 144.4737 144.6228 144.8188 145.3519 145.3835 145.6071 145.9565 146.0156 146.4482 146.7972 147.1217 147.3434 147.5721 147.6781 147.8497 148.1730 148.3699 148.4950 148.7523 149.3024 149.5874 149.6267 149.8418 150.2812 150.3829 150.7501 151.1002 151.4543 151.8248 152.1005 152.3089 152.4635 153.0872 153.4334 154.1028 154.4274 154.7921 154.8579 155.5236 155.7452 155.7828 156.1185 156.9139 156.9974 157.2033 157.2405 157.6230 158.7545 158.9500 159.2126 159.3523 159.8720 159.9725 160.3700 160.5065 161.2470 161.7808 162.0872 162.7573 163.2260 164.3045 165.0881 167.3847 168.1434 168.9782 170.1791 172.0600 172.6434 172.7979 172.8551 174.3161 175.8341 177.3834 178.7200 179.4070 180.9058 182.3187 185.3164 185.6420 186.6151 187.2880 189.4648 189.7505 192.0364 192.5588 193.7775 195.6654 196.5449 198.7793 201.9581 204.9218 206.3451 206.6606 221.2784 222.0899 222.3125 222.9145 223.2424 223.7350 225.7560 226.0974 228.0618 229.4614 294.5418 294.8614 295.8334 298.1566 308.6809 313.3122 607.3214 618.3186 619.8822 625.1401 629.7789 630.7779 631.7888 632.5781 634.0353 634.1703 634.3527 635.3394 636.6795 636.8571 637.4380 639.6855 641.9944 642.6824 647.4924 650.4330 657.1401 658.1510 704.2315 709.3279 876.7763 1200.4938 1212.8328 1215.0147 -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 -0.027254 -0.038256 -0.250479 -0.385797 -0.297447 -0.002740 0.138275 -0.018427 -0.170842 -0.291178 -0.270451 -0.245296 0.393325 0.090041 0.310750 -0.006629 -0.255729 -0.138115 -0.174582 0.216047 -0.094088 -0.198667 0.229147 -0.202061 -0.149100 -0.092806 -0.107097 -0.143916 0.111323 0.107738 0.093129 0.093190 0.101919 0.093833 0.097708 0.089847 0.118820 0.122529 0.135874 0.121637 0.130027 0.129237 0.126590 0.127015 0.126648 0.131040 0.125266 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 17.0273 17.0383 8.2505 8.3858 8.2974 7.0027 5.8617 6.0184 6.1708 6.2912 6.2705 6.2453 5.6067 5.9100 5.6892 6.0066 6.2557 6.1381 6.1746 5.7840 6.0941 6.1987 5.7709 6.2021 6.1491 6.0928 6.1071 6.1439 0.8887 0.8923 0.9069 0.9068 0.8981 0.9062 0.9023 0.9102 0.8812 0.8775 0.8641 0.8784 0.8700 0.8708 0.8734 0.8730 0.8734 0.8690 0.8747 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 -0.0273 -0.0383 -0.2505 -0.3858 -0.2974 -0.0027 0.1383 -0.0184 -0.1708 -0.2912 -0.2705 -0.2453 0.3933 0.0900 0.3108 -0.0066 -0.2557 -0.1381 -0.1746 0.2160 -0.0941 -0.1987 0.2291 -0.2021 -0.1491 -0.0928 -0.1071 -0.1439 0.1113 0.1077 0.0931 0.0932 0.1019 0.0938 0.0977 0.0898 0.1188 0.1225 0.1359 0.1216 0.1300 0.1292 0.1266 0.1270 0.1266 0.1310 0.1253 1.3058 1.2679 2.1282 2.1113 2.1155 3.1162 3.7099 3.8449 3.9082 3.9072 3.9146 3.9052 4.1505 4.2101 3.8306 3.7152 4.0223 3.8859 4.0443 3.8703 3.9487 4.0439 3.8517 4.0406 3.9556 3.9385 3.9381 3.9875 1.0242 1.0248 0.9967 1.0044 1.0130 1.0013 1.0060 1.0010 1.0168 1.0205 1.0212 1.0171 0.9995 1.0118 1.0129 1.0009 0.9985 0.9953 1.0011 1.3058 1.2679 2.1282 2.1113 2.1155 3.1162 3.7099 3.8449 3.9082 3.9072 3.9146 3.9052 4.1505 4.2101 3.8306 3.7152 4.0223 3.8859 4.0443 3.8703 3.9487 4.0439 3.8517 4.0406 3.9556 3.9385 3.9381 3.9875 1.0242 1.0248 0.9967 1.0044 1.0130 1.0013 1.0060 1.0010 1.0168 1.0205 1.0212 1.0171 0.9995 1.0118 1.0129 1.0009 0.9985 0.9953 1.0011 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.2118 1.1520 1.1435 0.8644 1.9223 1.0024 0.9344 3.0581 0.9537 0.8450 0.9533 0.9331 0.9259 0.9741 0.9952 1.0163 1.0261 0.9927 0.9889 0.9839 0.9958 0.9904 0.9888 1.8694 0.9761 0.9294 0.9109 1.0030 1.3426 1.4174 1.3788 0.9506 1.4566 0.9551 1.4225 1.4439 0.9757 0.9702 1.4298 1.3969 1.4375 0.9699 1.4216 0.9557 1.4345 0.9735 1.4432 0.9653 0.9765 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 -0.026217854 -2050.685801267935 -9.86155 8.14787 -1.71368 -36.23346 35.16443 -1.06903 -4.88035 4.38331 -0.49703 2.08004 5.28704