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:-1.0705,-5.2657,-1.5436;-3.7994,-5.6384,-.6865;.7685,-1.002,.3532;-.4515,.4611,1.5237;2.2688,4.4683,.3676;3.8126,-2.2423,.6388;-1.815,-.8913,-1.4283;-1.5468,-2.2418,-.8217;-1.5744,-1.0152,.0639;-.7521,-.3109,-2.3293;-3.2129,-.5042,-1.8419;-2.6117,-3.2386,-.6527;-.3888,-.4403,.7234;-2.5011,-4.5318,-.9276;1.971,-.3995,.8314;2.3207,.8239,.0205;2.9928,-1.4397,.7144;2.1774,2.0728,.605;2.7082,.7058,-1.3102;2.3917,3.2116,-.1603;2.948,1.8511,-2.0516;2.7797,3.1078,-1.4872;1.2465,4.735,1.2475;1.5326,5.5862,2.3046;-.0347,4.2252,1.0704;.5247,5.9315,3.1938;-1.0284,4.5698,1.9753;-.7564,5.4203,3.0388;-.5649,-2.6423,-1.0415;-2.4655,-.8811,.6671;-.7015,.7744,-2.2246;-1.0006,-.5298,-3.3688;.2388,-.7184,-2.1436;-3.2953,.5821,-1.9032;-3.9769,-.8501,-1.1472;-3.4439,-.9101,-2.8281;-3.566,-2.8993,-.2673;1.8888,-.1463,1.8924;1.8914,2.152,1.6462;2.8225,-.2682,-1.7699;3.2537,1.7692,-3.0858;2.9502,4.0016,-2.0734;2.5345,5.9772,2.4274;-.265,3.5691,.2405;.7493,6.5972,4.0167;-2.0255,4.1714,1.8404;-1.5378,5.6848,3.7384; 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 2772.2831439084 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 6.482e-06 Time for diagonalization 0.295 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.256 sec Total time needed 0.557 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:-1.0705,-5.2657,-1.5436;-3.7994,-5.6384,-.6865;.7685,-1.002,.3532;-.4515,.4611,1.5237;2.2688,4.4683,.3676;3.8126,-2.2423,.6388;-1.815,-.8913,-1.4283;-1.5468,-2.2418,-.8217;-1.5744,-1.0152,.0639;-.7521,-.3109,-2.3293;-3.2129,-.5042,-1.8419;-2.6117,-3.2386,-.6527;-.3888,-.4403,.7234;-2.5011,-4.5318,-.9276;1.971,-.3995,.8314;2.3207,.8239,.0205;2.9928,-1.4397,.7144;2.1774,2.0728,.605;2.7082,.7058,-1.3102;2.3917,3.2116,-.1603;2.948,1.8511,-2.0516;2.7797,3.1078,-1.4872;1.2465,4.735,1.2475;1.5326,5.5862,2.3046;-.0347,4.2252,1.0704;.5247,5.9315,3.1938;-1.0284,4.5698,1.9753;-.7564,5.4203,3.0388;-.5649,-2.6423,-1.0415;-2.4655,-.8811,.6671;-.7015,.7744,-2.2246;-1.0006,-.5298,-3.3688;.2388,-.7184,-2.1436;-3.2953,.5821,-1.9032;-3.9769,-.8501,-1.1472;-3.4439,-.9101,-2.8281;-3.566,-2.8993,-.2673;1.8888,-.1463,1.8924;1.8914,2.152,1.6462;2.8225,-.2682,-1.7699;3.2537,1.7692,-3.0858;2.9502,4.0016,-2.0734;2.5345,5.9772,2.4274;-.265,3.5691,.2405;.7493,6.5972,4.0167;-2.0254,4.1714,1.8404;-1.5378,5.6848,3.7384; 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 cpcm smd true smdsolvent "WATER" 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:-1.0705,-5.2657,-1.5436;-3.7994,-5.6384,-.6865;.7685,-1.002,.3532;-.4515,.4611,1.5237;2.2688,4.4683,.3676;3.8126,-2.2423,.6388;-1.815,-.8913,-1.4283;-1.5468,-2.2418,-.8217;-1.5744,-1.0152,.0639;-.7521,-.3109,-2.3293;-3.2129,-.5042,-1.8419;-2.6117,-3.2386,-.6527;-.3888,-.4403,.7234;-2.5011,-4.5318,-.9276;1.971,-.3995,.8314;2.3207,.8239,.0205;2.9928,-1.4397,.7144;2.1774,2.0728,.605;2.7082,.7058,-1.3102;2.3917,3.2116,-.1603;2.948,1.8511,-2.0516;2.7797,3.1078,-1.4872;1.2465,4.735,1.2475;1.5326,5.5862,2.3046;-.0347,4.2252,1.0704;.5247,5.9315,3.1938;-1.0284,4.5698,1.9753;-.7564,5.4203,3.0388;-.5649,-2.6423,-1.0415;-2.4655,-.8811,.6671;-.7015,.7744,-2.2246;-1.0006,-.5298,-3.3688;.2388,-.7184,-2.1436;-3.2953,.5821,-1.9032;-3.9769,-.8501,-1.1472;-3.4439,-.9101,-2.8281;-3.566,-2.8993,-.2673;1.8888,-.1463,1.8924;1.8914,2.152,1.6462;2.8225,-.2682,-1.7699;3.2537,1.7692,-3.0858;2.9502,4.0016,-2.0734;2.5345,5.9772,2.4274;-.265,3.5691,.2405;.7493,6.5972,4.0167;-2.0255,4.1714,1.8404;-1.5378,5.6848,3.7384; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2755 GEPOL Volume 2936.5105 GEPOL Surface-area 1636.0931 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.4s -2050.67056767 2772.28314391 -4822.95371158 -8319.63615259 3496.68244101 -0.03740768 -4095.12706646 2044.45649879 2.00303947 108.000095934262 108.000095934262 216.000191868523 -151.862757252582 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 -2765.6603 -2765.6155 -525.2772 -524.6662 -523.4164 -392.9784 -283.7793 -282.8527 -282.7729 -281.6868 -281.5552 -281.3246 -280.5933 -280.5265 -280.3631 -280.3312 -280.2942 -280.0269 -279.9707 -279.9152 -279.9038 -279.8189 -279.8091 -279.7735 -279.7275 -279.6285 -279.2606 -279.2430 -260.9291 -260.8834 -199.7700 -199.7264 -199.5247 -199.5184 -199.4766 -199.4732 -34.1823 -32.9574 -31.5721 -28.5015 -28.4171 -27.6577 -27.1892 -26.6637 -26.0028 -25.3874 -24.1424 -24.0830 -23.7111 -23.6425 -23.1613 -22.8906 -21.9342 -21.2005 -20.6010 -20.0778 -19.7138 -19.4039 -19.1087 -18.6302 -18.2116 -17.8855 -17.4069 -17.0931 -16.7781 -16.4784 -16.2743 -16.1287 -15.9245 -15.8829 -15.7476 -15.4402 -15.0230 -14.7949 -14.6909 -14.5290 -14.3153 -14.2286 -14.1150 -14.0129 -13.9542 -13.7511 -13.5988 -13.3454 -13.2591 -13.0895 -12.9532 -12.8278 -12.8018 -12.7048 -12.6307 -12.3845 -12.3030 -12.1177 -12.0554 -11.8025 -11.7481 -11.6828 -11.5817 -11.3912 -11.2055 -10.8227 -10.3019 -9.7143 -9.4786 -9.4169 -8.8600 -8.5085 0.9221 1.3823 1.4811 1.7155 1.9989 2.0529 2.4844 2.5422 2.8805 3.0720 3.2663 3.5985 3.9707 4.1166 4.2206 4.2609 4.5566 4.6385 4.7777 4.8371 4.9811 5.0937 5.1428 5.3087 5.4492 5.6304 5.6832 5.7626 5.8692 6.0414 6.0772 6.1476 6.2096 6.3698 6.6318 6.6653 6.7248 6.8945 6.9888 7.2302 7.3579 7.4594 7.4909 7.6806 7.7701 7.8448 7.8978 7.9728 8.0240 8.0813 8.1265 8.2364 8.3435 8.4299 8.5026 8.5776 8.6494 8.8377 8.9800 9.0620 9.1571 9.2806 9.3231 9.3965 9.5800 9.6736 9.7974 9.9302 9.9578 10.0603 10.2594 10.3192 10.4201 10.5827 10.6852 10.8674 10.9592 10.9768 11.0772 11.1642 11.2015 11.2884 11.3881 11.4400 11.4814 11.6169 11.7477 11.8180 11.9122 11.9500 12.0662 12.1631 12.2675 12.3288 12.4566 12.4875 12.6149 12.7552 12.8015 12.8599 13.0100 13.1419 13.1749 13.2014 13.2325 13.5288 13.5987 13.6147 13.6868 13.7914 13.8924 13.9422 14.0521 14.1899 14.2363 14.3390 14.4164 14.5435 14.6017 14.7789 14.8422 14.8782 14.9665 15.0765 15.1292 15.1713 15.4142 15.6036 15.6364 15.7136 15.8008 15.8322 15.9005 15.9635 16.1580 16.2169 16.3312 16.3810 16.4732 16.6090 16.6502 16.7905 16.8740 17.0093 17.1413 17.2719 17.3145 17.5147 17.5792 17.6422 17.9753 18.0623 18.1515 18.4247 18.4488 18.6035 18.6428 18.8853 19.0366 19.1421 19.1830 19.2402 19.4061 19.5773 19.7059 19.7634 19.9703 20.0814 20.2501 20.3560 20.4252 20.6495 20.7606 20.8515 20.8952 20.9462 21.2652 21.3073 21.3542 21.4682 21.6315 21.7156 21.7786 21.9397 22.1515 22.3346 22.4113 22.5298 22.6346 22.8066 22.9054 23.0772 23.1905 23.4001 23.4973 23.6253 23.8423 23.8610 24.0471 24.1471 24.2815 24.4874 24.7503 24.9176 24.9361 24.9987 25.1683 25.2720 25.3857 25.6868 25.8852 25.9758 26.2101 26.3844 26.5970 26.6683 26.7576 26.9285 27.0041 27.1923 27.4227 27.5910 27.7578 27.8290 27.9732 28.1211 28.1816 28.4533 28.5677 28.8399 28.8840 28.9208 29.0110 29.2792 29.3388 29.4323 29.6047 29.6948 29.8384 29.9083 30.2723 30.3473 30.4697 30.5548 30.6824 30.8499 30.9132 31.0197 31.2491 31.4590 31.6318 31.8062 31.9107 32.2134 32.2351 32.3796 32.5034 32.5687 32.7074 32.7965 32.9214 33.1350 33.1818 33.3812 33.4388 33.5922 33.6982 33.7984 34.1392 34.2551 34.4009 34.5154 34.6615 34.7363 34.9855 35.0842 35.2540 35.3667 35.5169 35.5681 35.6974 35.7500 36.0499 36.2256 36.3861 36.5327 36.6198 36.6737 36.8189 36.8859 37.0221 37.2158 37.2766 37.4059 37.4927 37.7397 37.9002 37.9574 38.1423 38.2536 38.3704 38.4743 38.5731 38.6802 38.7468 38.8089 39.0248 39.2352 39.3963 39.4974 39.6314 39.8093 39.8923 39.9907 40.2040 40.3190 40.4642 40.6679 40.8360 40.9625 41.1598 41.2249 41.4482 41.5985 41.7424 41.8113 42.0263 42.0632 42.3760 42.5398 42.6321 42.6821 42.7817 42.9141 42.9434 43.1959 43.2658 43.4972 43.5952 43.6564 43.6831 43.9857 44.1430 44.4612 44.5488 44.6446 44.7521 44.8551 45.0434 45.1285 45.2616 45.4841 45.5950 45.7333 45.8602 45.9312 46.0617 46.2208 46.2951 46.3905 46.6584 46.7587 47.0436 47.0833 47.3227 47.5118 47.8445 48.0425 48.0916 48.1448 48.4460 48.5803 48.8053 48.9792 49.0220 49.2343 49.3215 49.3843 49.5123 49.6678 50.2542 50.2647 50.4089 50.6512 50.7230 50.7707 50.9286 51.0170 51.0815 51.2677 51.4684 51.6950 51.7924 52.0507 52.1533 52.2978 52.3956 52.4640 52.5022 52.7446 52.8739 53.0831 53.2766 53.5248 53.8145 54.1103 54.1327 54.4521 54.6614 54.9150 55.0938 55.2536 55.4479 55.7487 56.0084 56.2429 56.4526 56.5529 56.6220 56.9821 57.1667 57.2227 57.4440 57.4952 57.7702 57.8828 57.9840 58.1728 58.2298 58.4928 58.5912 58.7162 59.1043 59.1290 59.3326 59.3953 59.5247 59.7475 59.8541 59.9964 60.2149 60.4536 60.6254 60.7508 61.1802 61.3997 61.7453 61.7976 61.9857 62.4586 62.6289 62.9405 63.0520 63.0860 63.2113 63.4293 63.5768 63.6883 63.8242 64.1851 64.2753 64.5643 64.7841 64.9198 65.0369 65.1469 65.4576 65.5931 65.7854 65.9222 66.0565 66.2641 66.3561 66.5326 66.6987 66.8751 67.3197 67.5526 67.6943 67.8427 67.9289 68.1730 68.5122 68.6735 68.8304 69.0019 69.1150 69.1319 69.3689 69.9906 70.2650 70.5517 71.0392 71.3071 71.7451 71.9499 72.5052 72.6361 72.9194 73.0577 73.2818 73.6413 73.6914 73.8747 74.1302 74.2630 74.6033 74.7166 74.9185 75.0177 75.1203 75.3940 75.6511 75.9274 76.0087 76.0860 76.4921 76.5969 76.7042 76.8471 77.0718 77.1483 77.3075 77.4127 77.6587 77.7299 77.9807 78.0455 78.2180 78.5393 78.6087 78.7729 78.8633 78.9515 79.0821 79.2568 79.4265 79.4755 79.7442 79.8090 79.8394 79.9778 80.2721 80.3843 80.3889 80.6437 80.7593 80.8822 81.0469 81.3351 81.3957 81.8092 81.8695 82.0303 82.1530 82.3254 82.4610 82.5558 82.6736 82.6890 82.7577 82.8419 83.0697 83.2025 83.4843 83.6954 83.7723 83.8865 83.9364 84.1732 84.5376 84.5816 84.7084 84.7981 84.9065 84.9866 85.0657 85.2332 85.2808 85.3713 85.5129 85.6413 85.7331 85.8720 85.9705 86.0872 86.2954 86.3877 86.4140 86.5549 86.7939 86.8987 87.0032 87.1854 87.2752 87.3393 87.5899 87.7538 88.0167 88.1283 88.2337 88.2785 88.3024 88.4921 88.6921 88.8002 88.8974 89.1298 89.1951 89.2748 89.4137 89.5439 89.6009 89.7169 89.8025 90.0154 90.1514 90.2320 90.3281 90.3997 90.6328 90.6934 90.9941 91.1434 91.2306 91.5138 91.6419 91.6734 91.8844 92.0278 92.2591 92.4002 92.5256 92.6346 92.7147 92.9340 92.9908 93.1147 93.2136 93.3343 93.3739 93.5032 93.5978 93.7069 93.7782 93.8884 93.9824 94.1084 94.3549 94.4221 94.5335 94.6664 94.8322 95.0422 95.1689 95.2078 95.2885 95.4003 95.6108 95.7252 95.8671 95.9387 96.1446 96.3182 96.5886 96.7300 96.8428 96.9225 97.0533 97.2879 97.3520 97.4176 97.6646 97.7290 98.0176 98.0492 98.2469 98.3760 98.5398 98.6200 98.7196 98.9150 99.0290 99.0736 99.3314 99.4417 99.6940 99.8101 99.9117 100.3703 100.4847 100.7235 100.8285 101.0272 101.2503 101.2775 101.4887 101.6581 101.8243 102.0397 102.2649 102.5757 102.6959 102.9834 103.1892 103.3163 103.6919 103.8715 104.0565 104.1566 104.5364 104.7808 104.8321 104.8769 105.1708 105.2734 105.5072 105.5360 105.6073 105.7320 105.8089 106.0149 106.1631 106.1722 106.2920 106.3585 106.5724 106.6886 106.8571 107.1770 107.1936 107.3007 107.6595 107.6859 107.9108 108.0153 108.2200 108.3924 108.5243 108.8246 109.0605 109.3524 109.4969 109.6417 109.7012 109.9030 110.0494 110.1951 110.2757 110.4100 110.5631 110.6991 110.8675 111.0782 111.2041 111.2528 111.3868 111.6592 111.7493 111.8766 112.1357 112.5130 112.7841 112.8974 113.0470 113.2556 113.3742 113.5512 113.6691 113.7875 113.9907 114.3401 114.4202 114.7440 114.9253 115.0352 115.3614 115.4476 115.5845 115.7364 115.9730 116.0864 116.1762 116.4686 116.5662 116.6596 116.7288 117.0290 117.2125 117.3152 117.3533 117.4755 117.7823 117.8828 117.9077 118.0735 118.1797 118.2767 118.4005 118.5748 118.6023 118.7774 118.9742 119.1589 119.2136 119.3645 119.4468 119.6706 119.8494 120.1811 120.3021 120.4872 120.6163 120.7019 120.8718 121.0789 121.2582 121.5628 121.7480 121.8690 121.9623 122.3309 122.4862 122.8936 123.0616 123.2553 123.3593 123.5165 123.9500 124.2365 124.4290 124.6501 125.1983 125.4028 125.6412 125.8788 126.0906 126.2886 126.5340 126.7249 127.0467 127.1785 127.4262 127.7265 127.9619 128.1320 128.8205 129.1291 129.2966 129.3496 129.4771 129.6663 129.9358 130.0228 130.1579 130.2489 130.5216 130.5954 130.8382 131.2864 131.4120 131.4998 131.6617 131.9122 131.9875 132.2794 132.3382 132.6861 132.9246 133.2163 133.3757 133.8352 133.9071 134.2060 134.5653 134.8446 135.0569 135.2703 135.4966 135.6397 135.9397 136.3214 136.7079 137.1294 137.3354 137.9131 138.0289 138.0755 138.3887 138.7540 138.9518 139.1329 139.3084 139.5907 139.8079 140.3398 140.7870 141.0713 141.3673 141.8309 142.0073 142.0807 142.1570 142.7089 143.0143 143.7208 143.9268 144.1240 144.3948 144.4327 144.6151 144.8679 145.0713 145.1441 145.4649 145.6699 146.0287 146.1927 146.4130 146.7888 147.0434 147.5480 147.6039 147.7961 148.0604 148.2501 148.2962 148.5022 148.6062 149.1291 149.6845 149.9727 150.1193 150.4069 150.7651 151.3199 151.4744 151.5486 152.1296 152.2526 152.5832 152.5998 152.7509 154.0294 154.3869 154.6088 154.7524 154.8379 155.7302 156.0737 156.3649 156.4821 156.9477 156.9979 157.2769 157.6470 158.1151 158.9462 159.0218 159.5776 159.9552 160.0726 160.1525 160.4584 161.3244 161.5606 161.8284 162.3321 162.6326 163.4171 164.0415 164.3363 165.4114 167.1157 168.6149 169.2342 170.4389 171.3672 172.2855 172.7134 172.9373 174.4813 175.3283 177.4872 177.9201 178.7305 180.4256 182.0349 185.3677 186.8239 187.1380 187.3581 188.3679 189.4842 192.0827 192.3904 193.5824 195.2261 196.3926 198.4955 201.9714 205.4359 206.3293 207.4432 221.3449 221.7166 222.4388 222.9449 222.9689 223.5405 225.8380 225.9762 227.8939 229.3089 294.5064 294.7644 295.7248 297.1865 308.5351 313.3887 609.1775 618.1189 620.5171 625.6234 629.3531 630.5639 631.4746 632.3775 634.1262 634.2600 635.1792 635.7301 636.7166 636.9770 637.7195 639.7753 642.5243 643.1340 647.7153 650.9875 657.2640 657.9997 701.9738 707.6080 876.7205 1199.6519 1212.8758 1214.6855 -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 -0.058060 -0.061337 -0.266110 -0.467874 -0.340000 -0.100296 0.102036 0.047175 -0.102426 -0.278186 -0.269257 -0.219787 0.430190 0.042413 0.379575 0.046555 -0.215594 -0.183153 -0.275320 0.278069 -0.109898 -0.226710 0.291364 -0.253298 -0.194787 -0.124691 -0.149894 -0.187248 0.087852 0.103847 0.103925 0.103071 0.093709 0.100067 0.092086 0.100590 0.134241 0.141508 0.148620 0.149909 0.162818 0.150796 0.148760 0.159698 0.161118 0.162468 0.161466 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 17.0581 17.0613 8.2661 8.4679 8.3400 7.1003 5.8980 5.9528 6.1024 6.2782 6.2693 6.2198 5.5698 5.9576 5.6204 5.9534 6.2156 6.1832 6.2753 5.7219 6.1099 6.2267 5.7086 6.2533 6.1948 6.1247 6.1499 6.1872 0.9121 0.8962 0.8961 0.8969 0.9063 0.8999 0.9079 0.8994 0.8658 0.8585 0.8514 0.8501 0.8372 0.8492 0.8512 0.8403 0.8389 0.8375 0.8385 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 -0.0581 -0.0613 -0.2661 -0.4679 -0.3400 -0.1003 0.1020 0.0472 -0.1024 -0.2782 -0.2693 -0.2198 0.4302 0.0424 0.3796 0.0466 -0.2156 -0.1832 -0.2753 0.2781 -0.1099 -0.2267 0.2914 -0.2533 -0.1948 -0.1247 -0.1499 -0.1872 0.0879 0.1038 0.1039 0.1031 0.0937 0.1001 0.0921 0.1006 0.1342 0.1415 0.1486 0.1499 0.1628 0.1508 0.1488 0.1597 0.1611 0.1625 0.1615 1.2673 1.2440 2.1394 2.0267 2.0689 3.1078 3.7171 3.8517 3.8683 3.9111 3.9070 3.8863 4.1585 4.2094 3.7601 3.5385 4.0664 3.9369 3.9722 3.7234 3.8897 4.0306 3.6700 4.0062 3.8857 3.8778 3.8921 3.9010 1.0363 1.0285 0.9980 1.0024 1.0070 1.0001 1.0052 1.0012 1.0168 1.0170 1.0122 1.0045 0.9878 1.0034 1.0071 0.9995 0.9879 0.9902 0.9890 1.2673 1.2440 2.1394 2.0267 2.0689 3.1078 3.7171 3.8517 3.8683 3.9111 3.9070 3.8863 4.1585 4.2094 3.7601 3.5385 4.0664 3.9369 3.9722 3.7234 3.8897 4.0306 3.6700 4.0062 3.8857 3.8778 3.8921 3.9010 1.0363 1.0285 0.9980 1.0024 1.0070 1.0001 1.0052 1.0012 1.0168 1.0170 1.0122 1.0045 0.9878 1.0034 1.0071 0.9995 0.9879 0.9902 0.9890 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1856 1.1591 1.1624 0.8713 1.8497 0.9502 0.9258 3.0561 0.8894 0.8670 0.9459 0.9523 0.9311 1.0229 0.9879 1.0384 0.9970 0.9954 0.9893 0.9814 0.9860 0.9894 0.9938 1.8599 0.9509 0.8967 0.9255 0.9857 1.3480 1.3222 1.3707 0.9626 1.4423 0.9963 1.4022 1.4222 0.9825 0.9830 1.3845 1.3403 1.4294 0.9858 1.4148 0.9689 1.4034 0.9792 1.4134 0.9769 0.9830 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 -0.025907414 -2050.696475085339 0.33558 -1.91164 -1.57607 38.63333 -37.02347 1.60986 -1.79258 1.04803 -0.74455 2.37276 6.03108