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:-1.351,.0433,1.1067;-4.0917,-.8698,1.2498;2.0527,-2.124,-.094;1.2934,-1.9057,-2.1885;.8385,3.0497,-1.5634;5.1022,-1.6932,1.1215;-.1114,-4.2458,.3523;-.6006,-2.8955,.7539;-.0245,-3.1066,-.6429;1.1132,-4.8041,1.0378;-1.1166,-5.3163,-.0073;-2.0232,-2.5376,.899;1.1594,-2.3405,-1.0785;-2.4371,-1.2871,1.0653;3.0065,-1.0871,-.3146;2.4011,.2369,.0824;4.1745,-1.4337,.4959;1.9089,1.0777,-.9038;2.2365,.5576,1.4251;1.2553,2.2514,-.5477;1.5829,1.7279,1.7676;1.087,2.5798,.7918;-.2598,3.8481,-1.3869;-1.4816,3.3135,-.999;-.1311,5.2014,-1.6548;-2.5783,4.1509,-.8743;-1.2399,6.0269,-1.5359;-2.4633,5.5084,-1.1405;.0636,-2.3554,1.4205;-.7528,-3.1591,-1.4437;1.6639,-5.4661,.368;.8061,-5.3931,1.9035;1.7982,-4.038,1.3894;-1.4925,-5.8085,.8916;-.65,-6.0795,-.631;-1.9725,-4.9288,-.5603;-2.777,-3.3149,.8743;3.3194,-1.0667,-1.3625;2.0136,.8258,-1.9514;2.6204,-.0949,2.1989;1.4578,1.9881,2.8099;.5836,3.4943,1.0763;-1.5781,2.2535,-.8026;.828,5.598,-1.9606;-3.5304,3.7347,-.5729;-1.1415,7.0832,-1.7483;-3.3241,6.1561,-1.0452; 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 2898.3391892938 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 6.424e-06 Time for diagonalization 0.427 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.360 sec Total time needed 0.800 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:-1.351,.0433,1.1067;-4.0917,-.8698,1.2498;2.0527,-2.1241,-.094;1.2934,-1.9057,-2.1885;.8385,3.0497,-1.5634;5.1022,-1.6932,1.1215;-.1114,-4.2458,.3523;-.6006,-2.8955,.7539;-.0245,-3.1066,-.6429;1.1132,-4.8041,1.0378;-1.1166,-5.3163,-.0073;-2.0232,-2.5376,.899;1.1594,-2.3405,-1.0785;-2.4371,-1.2871,1.0653;3.0065,-1.0871,-.3146;2.4011,.2369,.0824;4.1745,-1.4337,.4959;1.9089,1.0777,-.9038;2.2365,.5576,1.4251;1.2553,2.2514,-.5477;1.5829,1.7279,1.7676;1.087,2.5798,.7918;-.2598,3.8481,-1.3869;-1.4816,3.3135,-.999;-.1311,5.2014,-1.6548;-2.5783,4.1509,-.8743;-1.2399,6.0269,-1.5359;-2.4633,5.5084,-1.1405;.0636,-2.3554,1.4205;-.7528,-3.1591,-1.4437;1.6639,-5.4661,.3681;.8061,-5.3931,1.9035;1.7982,-4.038,1.3894;-1.4925,-5.8085,.8916;-.65,-6.0795,-.631;-1.9725,-4.9288,-.5603;-2.777,-3.3149,.8743;3.3194,-1.0667,-1.3625;2.0136,.8258,-1.9514;2.6204,-.0949,2.1989;1.4578,1.9881,2.8099;.5836,3.4943,1.0763;-1.5781,2.2535,-.8026;.828,5.598,-1.9606;-3.5304,3.7347,-.5729;-1.1415,7.0832,-1.7483;-3.3241,6.1561,-1.0452; 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:-1.351,.0433,1.1067;-4.0917,-.8698,1.2498;2.0527,-2.124,-.094;1.2934,-1.9057,-2.1885;.8385,3.0497,-1.5634;5.1022,-1.6932,1.1215;-.1114,-4.2458,.3523;-.6006,-2.8955,.7539;-.0245,-3.1066,-.6429;1.1132,-4.8041,1.0378;-1.1166,-5.3163,-.0073;-2.0232,-2.5376,.899;1.1594,-2.3405,-1.0785;-2.4371,-1.2871,1.0653;3.0065,-1.0871,-.3146;2.4011,.2369,.0824;4.1745,-1.4337,.4959;1.9089,1.0777,-.9038;2.2365,.5576,1.4251;1.2553,2.2514,-.5477;1.5829,1.7279,1.7676;1.087,2.5798,.7918;-.2598,3.8481,-1.3869;-1.4816,3.3135,-.999;-.1311,5.2014,-1.6548;-2.5783,4.1509,-.8743;-1.2399,6.0269,-1.5359;-2.4633,5.5084,-1.1405;.0636,-2.3554,1.4205;-.7528,-3.1591,-1.4437;1.6639,-5.4661,.368;.8061,-5.3931,1.9035;1.7982,-4.038,1.3894;-1.4925,-5.8085,.8916;-.65,-6.0795,-.631;-1.9725,-4.9288,-.5603;-2.777,-3.3149,.8743;3.3194,-1.0667,-1.3625;2.0136,.8258,-1.9514;2.6204,-.0949,2.1989;1.4578,1.9881,2.8099;.5836,3.4943,1.0763;-1.5781,2.2535,-.8026;.828,5.598,-1.9606;-3.5304,3.7347,-.5729;-1.1415,7.0832,-1.7483;-3.3241,6.1561,-1.0452; -2050.65642098 2898.33918929 -4948.99561027 -8571.88664731 3622.89103704 -4095.19236193 2044.53594095 2.00299358 108.000144717645 108.000144717645 216.000289435290 -151.872585603660 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 -2765.8683 -2765.8131 -525.2591 -524.6981 -523.3488 -392.7881 -283.7337 -283.0794 -282.9940 -281.8918 -281.6192 -281.0027 -281.0019 -280.7444 -280.6889 -280.6572 -280.6564 -280.2432 -280.1599 -280.1407 -280.1000 -280.0216 -280.0177 -279.9476 -279.9321 -279.9244 -279.8649 -279.7144 -261.1322 -261.0802 -199.9745 -199.9249 -199.7301 -199.7186 -199.6731 -199.6689 -34.1816 -33.1349 -31.5805 -28.7055 -28.2951 -27.9856 -27.3518 -26.8208 -26.2268 -25.4745 -24.4365 -24.4142 -23.8794 -23.8153 -23.3574 -23.1713 -22.4709 -21.4036 -20.8143 -20.2124 -19.9258 -19.6920 -19.2794 -18.9582 -18.3512 -18.3097 -17.7003 -17.1593 -16.8465 -16.6045 -16.5597 -16.3961 -16.3118 -16.0576 -15.9827 -15.6092 -15.3242 -15.0399 -15.0030 -14.8448 -14.6105 -14.5298 -14.4034 -14.2417 -14.1232 -13.9266 -13.7323 -13.5784 -13.4786 -13.2299 -13.2137 -13.0982 -12.9708 -12.7975 -12.6662 -12.4886 -12.3582 -12.2396 -12.1936 -12.1479 -11.9596 -11.8470 -11.6278 -11.4041 -11.3053 -11.1326 -10.3691 -9.8850 -9.6053 -9.4950 -9.2508 -8.6741 0.7324 1.0187 1.2779 1.5529 1.8371 2.1444 2.3038 2.5896 2.8154 2.9153 3.1689 3.4118 3.5477 3.6907 3.8977 3.9288 4.0477 4.1393 4.3963 4.4871 4.5943 4.7308 4.8328 4.9415 4.9647 5.1945 5.3427 5.4303 5.6750 5.7636 5.8563 5.9346 5.9969 6.0771 6.1087 6.3223 6.3289 6.4615 6.7356 6.8385 6.9215 7.0344 7.2886 7.3917 7.4518 7.5319 7.6450 7.7505 7.8453 7.9278 8.0228 8.0697 8.1266 8.2616 8.3528 8.4640 8.5518 8.5863 8.6382 8.7906 9.0396 9.1238 9.1707 9.2566 9.3585 9.4146 9.4751 9.5408 9.7886 9.8046 9.8888 9.9253 10.1973 10.3214 10.5283 10.6455 10.7143 10.8268 10.9870 11.0394 11.1356 11.2490 11.3397 11.3725 11.4012 11.5188 11.6821 11.6967 11.7385 11.8644 11.9825 12.1055 12.2089 12.2297 12.3881 12.4573 12.5083 12.7104 12.7319 12.8741 12.9342 13.0119 13.1017 13.2336 13.3410 13.4023 13.4980 13.5536 13.6504 13.6650 13.7326 13.8330 13.8873 13.9976 14.0789 14.1032 14.2596 14.3029 14.4308 14.4861 14.5646 14.7398 14.8484 14.9171 14.9611 15.0967 15.1876 15.2331 15.4319 15.5489 15.6257 15.6895 15.8069 15.8429 15.9104 16.0453 16.2034 16.2914 16.3537 16.4631 16.5938 16.6887 16.7725 16.9001 17.0317 17.1494 17.1700 17.3069 17.3452 17.6154 17.7179 17.7782 17.9301 17.9972 18.3272 18.4321 18.4803 18.6525 18.9148 19.0031 19.0438 19.1951 19.4307 19.4867 19.5957 19.6785 19.9431 20.0313 20.0967 20.2721 20.3845 20.4552 20.5695 20.7168 20.8400 20.8443 21.0935 21.2304 21.4204 21.5692 21.6992 21.7733 21.9578 22.1026 22.1974 22.2737 22.4384 22.5529 22.6298 22.7670 22.8518 22.9140 23.1128 23.1899 23.3991 23.4480 23.5240 23.7664 23.8396 24.0026 24.0774 24.2708 24.4862 24.6615 24.8665 24.9655 25.0372 25.1814 25.3428 25.5238 25.6635 25.9048 25.9468 26.2503 26.4362 26.5852 26.6865 26.7566 27.0548 27.1859 27.3114 27.3512 27.4660 27.4876 27.6311 27.8406 27.9223 28.0970 28.2819 28.5143 28.6346 28.6993 28.9107 28.9522 29.1683 29.3457 29.3676 29.4354 29.5857 29.8902 29.9237 30.0075 30.2115 30.2705 30.3527 30.4865 30.6030 30.7973 31.0684 31.1525 31.3217 31.4811 31.5924 31.7231 31.8646 32.1081 32.1752 32.3520 32.4415 32.4746 32.6197 32.8443 32.9269 33.1599 33.2659 33.4319 33.4904 33.6399 33.7722 33.8464 34.1384 34.2568 34.4166 34.4637 34.7269 34.7700 34.8308 34.9252 35.1430 35.1872 35.2783 35.4865 35.6516 35.8032 35.9708 36.1546 36.2668 36.4127 36.5145 36.7986 36.8892 37.0238 37.2909 37.3299 37.5321 37.5835 37.6659 37.8836 37.9519 38.0967 38.1291 38.2397 38.2921 38.5251 38.5994 38.7358 38.7657 38.9478 39.0152 39.2072 39.2650 39.4858 39.5843 39.7390 39.8766 39.9285 40.2189 40.2916 40.4835 40.6166 40.6691 40.8082 40.8939 41.1847 41.2973 41.4347 41.6610 41.9195 41.9956 42.1549 42.2296 42.3316 42.6283 42.7157 42.7953 42.9984 43.1500 43.2859 43.3655 43.4080 43.6353 43.6868 43.7898 44.0695 44.1143 44.2984 44.4330 44.5909 44.7187 44.7577 45.0434 45.1325 45.2484 45.4106 45.5135 45.6293 45.9458 46.0359 46.2035 46.2686 46.3206 46.6030 46.8754 46.8929 47.1058 47.2581 47.4051 47.4672 47.5407 47.6574 47.7408 47.9230 48.2088 48.4453 48.5393 48.8299 48.8955 49.2766 49.4847 49.5896 49.6514 49.8993 50.1839 50.2960 50.3127 50.6208 50.8877 50.9351 51.1334 51.2457 51.4565 51.6164 51.6967 51.8359 52.1459 52.2791 52.3858 52.5267 52.7534 52.9438 53.0566 53.3260 53.5882 53.6322 53.9201 54.1186 54.3684 54.4355 54.6196 54.8220 55.2106 55.5307 55.5889 55.6819 55.7891 56.0140 56.2794 56.5294 56.7738 56.8067 56.9840 57.2221 57.2563 57.4340 57.6302 57.8038 57.9413 58.1929 58.2792 58.3963 58.6747 58.7044 58.9524 58.9944 59.1165 59.2554 59.4908 59.5680 59.6267 59.7345 59.9155 60.4592 60.5145 60.6256 60.7610 61.2671 61.6150 61.9580 62.0266 62.3249 62.6429 62.7431 62.9292 63.0847 63.4149 63.5615 63.5941 63.8124 64.0313 64.1136 64.2357 64.6542 64.8104 65.1042 65.3026 65.4291 65.5823 65.6391 65.7615 66.0280 66.1064 66.5644 66.6899 66.7753 67.1231 67.2580 67.4328 67.5245 67.7046 67.8439 68.0730 68.2927 68.4013 68.6254 68.8146 68.9431 69.3291 69.5143 69.7058 69.8874 70.5816 70.7266 70.9329 70.9829 71.3655 71.4573 71.8379 71.9542 72.3016 72.5844 72.7017 73.0222 73.3897 73.6628 73.8882 74.1427 74.3813 74.4994 74.6277 74.9314 74.9620 75.1851 75.2663 75.4072 75.5459 75.6755 75.9242 76.1401 76.4184 76.6569 76.7014 76.9223 77.1202 77.1755 77.3620 77.4918 77.6330 77.8812 78.0047 78.0979 78.1917 78.2752 78.4339 78.6231 78.9678 79.1389 79.2569 79.3512 79.3928 79.4396 79.5003 79.7574 79.8392 80.0355 80.2736 80.4596 80.6888 80.8330 81.0743 81.2160 81.3293 81.4023 81.5735 81.7643 81.9257 82.0397 82.1164 82.2974 82.3866 82.5702 82.7299 82.8356 83.0153 83.2085 83.2974 83.3643 83.5421 83.6954 83.7890 84.0945 84.1904 84.3438 84.5506 84.7718 84.8646 84.9082 84.9960 85.0847 85.2380 85.3617 85.4676 85.5254 85.5845 85.6607 85.9177 85.9407 86.0061 86.0515 86.1045 86.2340 86.4853 86.6021 86.7250 86.8235 86.9664 87.2612 87.3868 87.5250 87.6700 87.8419 88.0381 88.1499 88.2629 88.4227 88.4857 88.5597 88.6127 88.6884 88.8232 88.9336 89.0327 89.3493 89.4597 89.4788 89.5968 89.9408 90.0228 90.0438 90.2709 90.3890 90.5798 90.6580 90.7502 90.8843 91.0712 91.3176 91.3743 91.5031 91.7109 91.7551 91.9810 92.1193 92.3508 92.4576 92.4958 92.6012 92.7113 92.8880 92.8988 92.9448 93.1410 93.2813 93.4033 93.4543 93.5207 93.5853 93.8939 94.0121 94.2442 94.2861 94.4006 94.5486 94.5983 94.8359 94.8895 95.1336 95.2300 95.3080 95.5199 95.5984 95.7351 95.8483 95.9529 96.1728 96.2436 96.3247 96.3760 96.5928 96.8055 97.0268 97.0908 97.1268 97.2743 97.3955 97.5625 97.7363 97.8498 98.1347 98.2414 98.3427 98.4131 98.4200 98.5736 98.7398 98.8971 99.0115 99.3699 99.4544 99.6719 99.8167 100.0441 100.2524 100.3439 100.4444 100.6341 101.0539 101.2486 101.4581 101.5463 101.7986 102.0502 102.2871 102.3726 102.4931 102.7110 102.8734 102.9246 103.2655 103.7139 104.0798 104.2389 104.3952 104.5240 104.6129 104.9228 105.2100 105.2942 105.3494 105.4195 105.4527 105.5232 105.6590 105.8876 106.0076 106.0506 106.1864 106.4258 106.5570 106.7021 106.8143 106.8898 107.1856 107.3959 107.5332 107.6889 107.7606 107.9735 108.2408 108.3429 108.7210 108.8655 108.8926 109.1377 109.2264 109.4361 109.6168 109.7013 109.9922 110.2166 110.3025 110.3285 110.5501 110.6969 110.8796 110.9290 110.9987 111.2235 111.3860 111.4413 111.7124 111.8464 111.9807 112.1242 112.5375 112.7323 113.0629 113.1113 113.1731 113.4828 113.5498 113.8325 114.1066 114.1485 114.3752 114.4867 114.5785 114.8160 115.1374 115.3342 115.4517 115.5247 115.7558 115.8077 115.9086 115.9691 116.3412 116.3613 116.5658 116.6980 116.8067 116.8959 117.1308 117.1929 117.5363 117.6770 117.7818 118.0354 118.1020 118.1789 118.3237 118.4534 118.5369 118.6196 118.7349 119.0041 119.0355 119.3590 119.4334 119.7642 119.8530 119.9737 119.9933 120.0934 120.2575 120.4361 120.8238 120.9275 120.9752 121.1635 121.3248 121.6580 121.8069 122.0032 122.3248 122.6338 122.7125 122.9059 123.2549 123.3572 123.5387 124.0299 124.2187 124.8000 124.8684 125.0715 125.2455 125.5137 125.9131 126.5332 126.6458 126.8397 127.1902 127.3659 127.5119 128.0495 128.2093 128.4613 128.5178 128.8967 128.9516 129.0815 129.3203 129.4556 129.5765 129.6940 130.1762 130.3494 130.3958 130.5432 130.8341 131.0234 131.0513 131.4475 131.6586 131.9585 132.1690 132.2801 132.5146 132.6578 132.8411 133.1199 133.3515 133.5990 134.0283 134.3004 134.4955 134.8213 134.8612 135.3673 135.4347 135.8057 135.8270 135.9940 136.7739 136.9002 137.3893 137.6684 137.9546 138.1106 138.3534 138.4155 138.8129 138.8837 139.1813 139.3234 140.2666 140.5984 140.9318 141.0270 141.3865 141.7640 142.0974 142.4034 142.7982 143.4093 143.5668 143.9670 144.0732 144.2447 144.3483 144.3936 144.5666 144.7694 145.0386 145.1343 145.2281 145.6402 145.7826 146.0800 146.3693 146.4020 147.2025 147.3242 147.5438 147.8772 148.1541 148.1799 148.3125 148.8082 148.9831 149.3761 149.4246 149.8580 149.9925 150.3741 150.5188 150.9917 151.1025 151.3977 152.0978 152.2251 152.4228 152.9811 153.3519 153.7277 153.9482 154.5409 154.7002 154.9605 155.6818 155.7866 156.6922 156.9132 157.1084 157.2526 157.4733 157.7456 158.2198 158.3513 159.1370 159.2163 159.3718 159.3991 160.3627 160.7273 160.8503 161.5257 161.6067 162.5197 162.7046 164.0020 164.6093 165.7830 167.2689 168.2496 168.8477 170.0517 172.3262 172.6341 172.7469 173.1815 174.0613 175.8372 177.2766 177.8540 178.9516 181.1322 182.1717 185.0981 186.6289 187.2409 187.4456 188.6169 190.0287 191.9743 193.0624 193.6499 196.1413 196.4673 198.9117 201.7521 205.5493 206.4661 206.9760 221.1585 222.2318 222.4547 222.9603 223.6717 224.1619 226.0216 226.7102 228.3043 229.6876 294.4586 296.0842 297.5520 300.2061 309.3463 314.7037 608.8777 618.2729 621.4657 624.8205 630.8239 631.5737 631.6046 632.7153 634.0145 634.4051 635.2116 635.4258 636.7048 636.7849 637.5957 640.0068 641.7143 642.8150 647.0244 650.3767 657.2613 658.1542 705.9036 714.1692 877.4954 1199.2002 1212.4027 1215.1413 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 -0.043603 -0.042418 -0.268098 -0.349526 -0.294548 -0.001934 0.111719 -0.045761 -0.054911 -0.232956 -0.278208 -0.203744 0.323181 0.074836 0.297278 0.015973 -0.265100 -0.135924 -0.178006 0.202656 -0.139528 -0.148534 0.200716 -0.128171 -0.179442 -0.137213 -0.107719 -0.124376 0.101067 0.091377 0.093546 0.086251 0.094833 0.101272 0.099065 0.076157 0.116402 0.125354 0.124588 0.118194 0.129848 0.133247 0.133149 0.126791 0.128501 0.126767 0.126951 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 17.0436 17.0424 8.2681 8.3495 8.2945 7.0019 5.8883 6.0458 6.0549 6.2330 6.2782 6.2037 5.6768 5.9252 5.7027 5.9840 6.2651 6.1359 6.1780 5.7973 6.1395 6.1485 5.7993 6.1282 6.1794 6.1372 6.1077 6.1244 0.8989 0.9086 0.9065 0.9137 0.9052 0.8987 0.9009 0.9238 0.8836 0.8746 0.8754 0.8818 0.8702 0.8668 0.8669 0.8732 0.8715 0.8732 0.8730 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 -0.0436 -0.0424 -0.2681 -0.3495 -0.2945 -0.0019 0.1117 -0.0458 -0.0549 -0.2330 -0.2782 -0.2037 0.3232 0.0748 0.2973 0.0160 -0.2651 -0.1359 -0.1780 0.2027 -0.1395 -0.1485 0.2007 -0.1282 -0.1794 -0.1372 -0.1077 -0.1244 0.1011 0.0914 0.0935 0.0863 0.0948 0.1013 0.0991 0.0762 0.1164 0.1254 0.1246 0.1182 0.1298 0.1332 0.1331 0.1268 0.1285 0.1268 0.1270 1.3196 1.2663 2.0929 2.1540 2.1082 3.1114 3.7895 3.8496 3.7976 3.8936 3.9237 3.8847 4.2680 4.2204 3.8524 3.6441 4.0183 4.0182 3.9796 3.8835 3.9432 3.8770 3.8283 3.9237 4.0233 3.9747 3.9391 3.9433 1.0261 1.0268 1.0037 1.0024 1.0161 0.9989 1.0055 1.0044 1.0210 1.0204 1.0305 1.0180 1.0032 1.0073 1.0262 1.0120 1.0014 0.9990 0.9996 1.3196 1.2663 2.0929 2.1540 2.1082 3.1114 3.7895 3.8496 3.7976 3.8936 3.9237 3.8847 4.2680 4.2204 3.8524 3.6441 4.0183 4.0182 3.9796 3.8835 3.9432 3.8770 3.8283 3.9237 4.0233 3.9747 3.9391 3.9433 1.0261 1.0268 1.0037 1.0024 1.0161 0.9989 1.0055 1.0044 1.0210 1.0204 1.0305 1.0180 1.0032 1.0073 1.0262 1.0120 1.0014 0.9990 0.9996 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 1.1991 1.1605 1.1223 0.8883 1.9809 1.0060 0.9157 3.0531 0.9498 0.9003 0.9489 0.9339 0.8507 0.9999 0.9955 1.0331 1.0104 0.9934 0.9902 0.9828 0.9987 0.9883 0.9922 1.8588 0.9623 0.9240 0.9215 1.0017 1.3980 1.3480 1.4374 0.9598 1.4534 0.9857 1.3513 1.4027 0.9888 0.9753 1.3817 1.4332 1.4419 0.9537 1.4309 0.9724 1.4291 0.9726 1.4304 0.9737 0.9773 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 -0.027918447 -2050.684339424276 5.13287 -6.63948 -1.50662 -9.19115 9.04709 -0.14405 -2.76207 3.08042 0.31835 1.54661 3.93116