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:-1.6857,-4.8199,-.8591;-3.3401,-5.3975,1.4327;1.1906,-.7317,-.0239;1.3642,-.2127,2.1347;1.2402,4.3357,-.4079;4.1135,-1.9246,1.2335;-1.8543,-.5104,.386;-1.417,-1.9453,.4208;-.7415,-.9271,1.3287;-1.5828,.2854,-.8674;-3.1459,-.1017,1.0546;-2.2223,-2.9951,1.0567;.6844,-.5795,1.2113;-2.3858,-4.23,.5988;2.5526,-.4102,-.2214;2.8749,1.0688,-.1002;3.4101,-1.2439,.6322;1.8695,2.0059,-.3009;4.1827,1.4814,.1177;2.1798,3.3595,-.2733;4.4759,2.8375,.1403;3.4849,3.7828,-.0562;.0579,4.0908,-1.057;.03,3.5745,-2.3466;-1.1149,4.444,-.4068;-1.1916,3.4083,-2.982;-2.3297,4.2857,-1.06;-2.374,3.7632,-2.3446;-.8352,-2.259,-.4378;-1.0379,-.9666,2.3708;-.734,-.0767,-1.4419;-1.4162,1.3369,-.6255;-2.4573,.2367,-1.5191;-3.3098,-.5898,2.0146;-3.9969,-.3326,.4113;-3.1487,.975,1.2337;-2.718,-2.7541,1.9896;2.7543,-.7243,-1.25;.8492,1.6923,-.4748;4.9785,.7634,.2703;5.494,3.1612,.3118;3.7154,4.8405,-.0359;.949,3.3104,-2.8553;-1.0752,4.8491,.5967;-1.2158,3.0072,-3.987;-3.2445,4.5684,-.5553;-3.323,3.6367,-2.8488; 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 2824.5515064306 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 5.100e-06 Time for diagonalization 0.431 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.340 sec Total time needed 0.788 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:-1.6857,-4.8199,-.8591;-3.3401,-5.3975,1.4327;1.1906,-.7317,-.0239;1.3642,-.2127,2.1347;1.2402,4.3357,-.4079;4.1135,-1.9246,1.2335;-1.8543,-.5104,.386;-1.417,-1.9453,.4208;-.7415,-.9271,1.3287;-1.5828,.2854,-.8674;-3.1459,-.1017,1.0546;-2.2223,-2.9951,1.0567;.6844,-.5795,1.2113;-2.3858,-4.23,.5988;2.5526,-.4102,-.2214;2.8749,1.0688,-.1002;3.4101,-1.2439,.6322;1.8695,2.0059,-.3009;4.1827,1.4814,.1177;2.1798,3.3595,-.2733;4.4759,2.8375,.1403;3.4849,3.7828,-.0562;.0579,4.0908,-1.057;.03,3.5745,-2.3466;-1.1149,4.444,-.4068;-1.1916,3.4083,-2.982;-2.3297,4.2857,-1.06;-2.374,3.7632,-2.3446;-.8352,-2.259,-.4378;-1.0379,-.9666,2.3708;-.734,-.0767,-1.4419;-1.4162,1.3369,-.6255;-2.4573,.2367,-1.5191;-3.3098,-.5898,2.0146;-3.9969,-.3326,.4113;-3.1487,.975,1.2337;-2.718,-2.7541,1.9896;2.7543,-.7243,-1.25;.8492,1.6923,-.4748;4.9785,.7634,.2703;5.494,3.1612,.3118;3.7154,4.8405,-.0359;.949,3.3104,-2.8553;-1.0752,4.8491,.5967;-1.2158,3.0072,-3.987;-3.2445,4.5684,-.5553;-3.323,3.6367,-2.8488; 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 "1-OCTANOL" 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:-1.6857,-4.8199,-.8591;-3.3401,-5.3975,1.4327;1.1906,-.7317,-.0239;1.3642,-.2127,2.1347;1.2402,4.3357,-.4079;4.1135,-1.9246,1.2335;-1.8543,-.5104,.386;-1.417,-1.9453,.4208;-.7415,-.9271,1.3287;-1.5828,.2854,-.8674;-3.1459,-.1017,1.0546;-2.2223,-2.9951,1.0567;.6844,-.5795,1.2113;-2.3858,-4.23,.5988;2.5526,-.4102,-.2214;2.8749,1.0688,-.1002;3.4101,-1.2439,.6322;1.8695,2.0059,-.3009;4.1827,1.4814,.1177;2.1798,3.3595,-.2733;4.4759,2.8375,.1403;3.4849,3.7828,-.0562;.0579,4.0908,-1.057;.03,3.5745,-2.3466;-1.1149,4.444,-.4068;-1.1916,3.4083,-2.982;-2.3297,4.2857,-1.06;-2.374,3.7632,-2.3446;-.8352,-2.259,-.4378;-1.0379,-.9666,2.3708;-.734,-.0767,-1.4419;-1.4162,1.3369,-.6255;-2.4573,.2367,-1.5191;-3.3098,-.5898,2.0146;-3.9969,-.3326,.4113;-3.1487,.975,1.2337;-2.718,-2.7541,1.9896;2.7543,-.7243,-1.25;.8492,1.6923,-.4748;4.9785,.7634,.2703;5.494,3.1612,.3118;3.7154,4.8405,-.0359;.949,3.3104,-2.8553;-1.0752,4.8491,.5967;-1.2158,3.0072,-3.987;-3.2445,4.5684,-.5553;-3.323,3.6367,-2.8488; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2732 GEPOL Volume 2953.6609 GEPOL Surface-area 1622.5654 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2050.68191762 2824.55150643 -4875.23342405 -8423.98341518 3548.74999113 -0.03536845 -4095.13662738 2044.45470975 2.00304590 108.000091769896 108.000091769896 216.000183539792 -151.867607766930 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 -2765.6817 -2765.6281 -525.3083 -524.6809 -523.4300 -392.8656 -283.7653 -282.9360 -282.8182 -281.7519 -281.5641 -281.2404 -280.6750 -280.6483 -280.4448 -280.4072 -280.3820 -279.9690 -279.9557 -279.8869 -279.8737 -279.8450 -279.8385 -279.8082 -279.8057 -279.7200 -279.3486 -279.3143 -260.9499 -260.8956 -199.7913 -199.7391 -199.5453 -199.5391 -199.4887 -199.4851 -34.2896 -33.0389 -31.6017 -28.4544 -28.4075 -27.7034 -27.1764 -26.7140 -26.0197 -25.3328 -24.1663 -24.1276 -23.7582 -23.6677 -23.2673 -22.8809 -21.9878 -21.3178 -20.6273 -20.0746 -19.7827 -19.6670 -19.0331 -18.8850 -18.1889 -18.1239 -17.2244 -16.9665 -16.7152 -16.3283 -16.2296 -16.1031 -16.0828 -15.9520 -15.8416 -15.4037 -15.3068 -14.8644 -14.7885 -14.5351 -14.3641 -14.3374 -14.1388 -14.0902 -13.9334 -13.8503 -13.6633 -13.4312 -13.2143 -13.0386 -13.0001 -12.8583 -12.7646 -12.6604 -12.4560 -12.4175 -12.3091 -12.1269 -11.9902 -11.8365 -11.7751 -11.7547 -11.6524 -11.5295 -11.2221 -10.8489 -10.3510 -9.6663 -9.4605 -9.3917 -8.8911 -8.5523 1.1489 1.3257 1.4394 1.7007 1.9563 2.1235 2.3162 2.5104 2.8662 3.1689 3.3921 3.7217 3.8909 4.1647 4.2510 4.3569 4.3923 4.5452 4.6770 4.9177 4.9399 5.0848 5.1301 5.2445 5.3588 5.5267 5.5496 5.6859 5.7879 5.9714 6.0163 6.1369 6.1931 6.3853 6.5360 6.6515 6.6866 6.7539 7.0514 7.1956 7.2538 7.5436 7.5614 7.5760 7.7110 7.7466 7.8746 7.9968 8.0746 8.1358 8.2101 8.3674 8.4056 8.4886 8.6667 8.8263 8.8675 8.9806 9.1086 9.1682 9.3296 9.4396 9.4778 9.5355 9.6146 9.8310 9.8882 9.9167 10.0190 10.2655 10.3267 10.4726 10.5442 10.5838 10.7147 10.7730 10.9119 11.0676 11.1016 11.2971 11.3769 11.4384 11.4824 11.5547 11.6566 11.6923 11.7955 11.8680 11.9365 12.0529 12.1389 12.2749 12.3350 12.4010 12.5085 12.6110 12.7130 12.8236 12.8494 12.9382 12.9857 13.1106 13.2065 13.2489 13.4574 13.5371 13.5428 13.7073 13.8096 13.8605 13.9399 13.9520 14.1319 14.3016 14.3600 14.4857 14.5872 14.6182 14.7072 14.8055 14.9127 15.0825 15.1263 15.2152 15.3025 15.3249 15.4417 15.4999 15.5929 15.7592 15.8188 15.9133 16.0317 16.1126 16.2445 16.3037 16.4001 16.4526 16.4761 16.6264 16.7202 16.7653 16.9634 17.0627 17.1663 17.2841 17.3790 17.5273 17.8059 17.9430 18.0474 18.2105 18.3367 18.4139 18.5302 18.8116 18.9520 19.0188 19.1397 19.2599 19.3012 19.4593 19.6758 19.8244 20.0113 20.1338 20.2166 20.3148 20.4227 20.6408 20.7242 20.8131 20.9786 21.0423 21.1473 21.2960 21.4342 21.5048 21.6123 21.7396 21.8944 21.9876 22.0204 22.1756 22.3069 22.4458 22.5499 22.7383 22.8443 22.9822 23.0215 23.3718 23.4983 23.5595 23.7822 23.8873 24.0363 24.1902 24.2183 24.4304 24.4756 24.4868 24.5925 24.9348 25.1498 25.2151 25.2785 25.3767 25.6673 25.8505 26.0783 26.1750 26.3043 26.3640 26.5172 26.8363 26.9381 27.1303 27.2590 27.4253 27.5416 27.8072 28.0598 28.1335 28.2112 28.3228 28.4272 28.5285 28.6676 28.8155 29.0099 29.0932 29.1531 29.2642 29.5869 29.7689 29.8454 29.9484 30.1284 30.2179 30.2844 30.3842 30.4958 30.7666 30.9238 30.9350 30.9669 31.3750 31.5131 31.6545 31.8824 31.9250 32.0456 32.1251 32.1665 32.2740 32.6374 32.6544 32.7017 32.9866 33.2647 33.2761 33.3903 33.4277 33.5174 33.5676 33.9561 34.0975 34.2847 34.3211 34.6437 34.7082 34.8002 34.9539 35.0683 35.3003 35.4922 35.5308 35.7354 35.7502 35.9581 36.0683 36.1854 36.3035 36.5901 36.5985 36.6243 36.7470 37.0276 37.1160 37.2654 37.4477 37.5001 37.7388 37.8332 37.8574 37.8991 38.0926 38.1074 38.3542 38.4534 38.5843 38.7050 38.9146 38.9802 39.1287 39.2789 39.3648 39.4115 39.6149 39.7917 39.9269 39.9789 40.1298 40.1701 40.5435 40.6521 40.7209 40.9216 41.0535 41.1833 41.3963 41.4864 41.5061 41.8752 41.9972 42.1084 42.2419 42.3260 42.4526 42.6612 42.6873 42.8226 42.8894 43.1439 43.5743 43.6030 43.6996 43.7890 43.9173 44.1037 44.1407 44.3392 44.3899 44.6101 44.6328 44.9183 44.9984 45.1629 45.2814 45.4931 45.5950 45.8547 45.9108 46.0418 46.2880 46.3237 46.4763 46.6153 46.7333 46.8437 47.0498 47.1594 47.3187 47.4429 47.5496 47.9254 48.1242 48.1774 48.5915 48.6723 48.7206 48.9753 49.0789 49.2148 49.4746 49.7132 49.9042 49.9847 50.1119 50.3617 50.5181 50.5772 50.6828 50.7110 50.9148 51.0652 51.4176 51.4763 51.5383 51.7297 51.8181 51.8844 52.1578 52.3393 52.3978 52.5006 52.5269 52.6901 52.9470 53.1142 53.2741 53.4052 53.5487 53.9034 54.1409 54.3493 54.3703 54.7333 55.0625 55.3570 55.4830 55.8152 55.9157 56.0836 56.2501 56.5853 56.9683 57.0097 57.0531 57.2437 57.4828 57.5856 57.6827 57.9614 58.0686 58.2134 58.3162 58.4712 58.7256 58.8042 58.9156 59.2125 59.2730 59.3457 59.4771 59.6099 59.7098 60.0531 60.2802 60.4032 60.5507 60.6849 60.9647 61.5898 61.6593 61.7484 62.0718 62.1844 62.4049 62.7962 62.8550 62.9993 63.1882 63.2766 63.4208 63.5538 63.7229 63.9250 63.9846 64.1746 64.4294 64.8096 64.9300 65.0947 65.3640 65.5012 65.7249 65.8474 66.0684 66.3026 66.6163 66.7456 66.8127 67.0553 67.4464 67.5518 67.7319 67.8638 67.9845 68.1209 68.2433 68.5688 68.7768 68.8641 68.9450 69.5106 69.7163 69.8945 70.2868 70.5561 71.1143 71.4006 71.6678 72.0548 72.1220 72.5299 72.9682 73.3148 73.3491 73.5181 73.6931 73.9735 74.1264 74.1868 74.3981 74.4690 74.7369 74.8576 75.2294 75.2936 75.4776 75.6946 75.9144 76.1902 76.2523 76.4427 76.6441 76.7401 76.7775 77.1114 77.3269 77.5030 77.5717 77.7712 77.9312 78.1342 78.1539 78.3896 78.5646 78.5920 78.6759 78.9535 79.0013 79.1874 79.2881 79.4658 79.5357 79.7494 79.8855 80.0414 80.1418 80.2838 80.5094 80.6510 80.8063 81.0597 81.2081 81.3086 81.3517 81.4864 81.7412 81.8390 82.1672 82.2680 82.4380 82.5534 82.6507 82.8052 82.8458 82.9119 83.0434 83.2882 83.3919 83.4617 83.6893 83.9488 84.0469 84.3151 84.3977 84.5575 84.6574 84.6976 84.8611 84.9335 85.0533 85.1999 85.4771 85.5583 85.5800 85.7305 85.9085 85.9404 86.0540 86.2976 86.3186 86.4324 86.4805 86.5657 86.8071 86.8924 86.9840 87.0365 87.3137 87.4083 87.6028 87.8959 87.9707 88.0959 88.1624 88.2895 88.4075 88.5713 88.8331 88.8752 88.9064 88.9884 89.1323 89.2728 89.3435 89.4512 89.6178 89.6839 89.8923 89.9411 90.0444 90.2245 90.4018 90.4682 90.6127 90.7654 90.8943 90.9769 91.0945 91.3440 91.3789 91.5836 91.8345 91.9604 92.1834 92.2745 92.5063 92.5222 92.5930 92.7745 92.8830 93.0116 93.0938 93.1820 93.4660 93.5813 93.7315 93.7574 93.9119 94.0784 94.0984 94.1980 94.3500 94.4671 94.6081 94.6512 94.7818 94.8888 95.1323 95.1858 95.3444 95.3689 95.6609 95.6969 95.9008 96.1200 96.2561 96.3858 96.4693 96.5723 96.7006 96.8104 97.0703 97.2375 97.3176 97.4365 97.6233 97.7464 97.9523 98.1351 98.2374 98.4244 98.4918 98.6239 98.7312 98.8348 99.0143 99.1020 99.2308 99.5186 99.6819 99.8143 100.0871 100.1763 100.2818 100.3727 100.5619 100.9558 101.0666 101.4915 101.6405 101.7802 101.9722 102.0974 102.3181 102.4164 102.6904 102.9476 102.9936 103.1189 103.2224 103.8176 104.0402 104.1784 104.2552 104.4117 104.7505 104.9180 104.9651 105.1648 105.2542 105.4297 105.5160 105.6824 105.7164 105.8213 105.9376 106.1534 106.3575 106.3968 106.4921 106.8119 106.9240 106.9469 107.2518 107.4080 107.5744 107.7608 107.8918 108.1871 108.4381 108.5179 108.6516 108.8376 109.1048 109.1776 109.4777 109.6280 109.7796 109.9054 110.0076 110.2126 110.2440 110.4343 110.5545 110.6191 110.7673 111.1355 111.3275 111.4241 111.6264 111.7418 111.8018 111.9487 112.1552 112.3163 112.6234 112.7156 112.8880 113.0909 113.3728 113.4985 113.7549 113.7778 113.9840 114.0642 114.3797 114.4154 114.5768 114.8566 114.9583 115.1938 115.4833 115.5332 115.9555 116.1575 116.2053 116.3219 116.5789 116.7044 116.8472 116.9582 117.1350 117.2252 117.2437 117.4824 117.5550 117.6889 117.7135 117.9238 118.1942 118.2821 118.4628 118.5853 118.6315 118.7234 118.8219 119.1937 119.2724 119.4605 119.5921 119.6556 119.7339 120.0717 120.2900 120.3166 120.4070 120.7935 121.0249 121.0464 121.1635 121.6396 121.7322 121.8891 122.0100 122.1725 122.2803 122.5128 122.9966 123.2119 123.2875 123.7406 124.1522 124.4672 124.6322 124.7396 124.9732 125.2368 125.5269 125.7071 125.9434 126.2469 126.4254 126.7187 126.7864 126.9623 127.2288 127.3193 127.7032 128.0716 128.3958 128.8393 128.9129 129.0526 129.4185 129.6665 129.8121 129.8866 130.1315 130.1602 130.6517 130.8148 130.8868 131.1562 131.2100 131.3883 131.4843 131.6156 131.9374 132.1906 132.2436 132.5521 132.7247 132.8696 132.9496 133.4354 133.6128 134.0702 134.2540 134.6448 134.9342 135.3655 135.5556 135.6484 136.1399 136.4435 136.7709 136.8665 137.1623 137.7697 137.9694 138.2590 138.4568 138.5551 138.6696 138.9454 139.1152 139.2549 139.7392 140.2370 140.5618 141.1890 141.3136 141.3795 141.5813 141.7383 142.1482 142.3550 142.8072 143.0064 143.5900 143.8767 144.1151 144.3241 144.4313 144.6983 144.7443 145.2644 145.4720 145.7724 145.9264 146.1443 146.3943 146.5235 146.6878 146.9932 147.6385 147.7525 147.8859 148.1973 148.3428 148.4643 148.7291 148.9487 149.3238 149.4459 149.9239 150.3001 150.4230 151.2334 151.4982 151.7526 152.0270 152.2610 152.6071 152.9314 153.5070 153.7422 154.3714 154.6084 154.7592 154.9383 155.2869 155.6247 156.0237 156.5568 157.0023 157.3915 157.4362 157.8246 157.9014 158.4192 158.8984 159.2655 159.8932 160.0889 160.2775 160.6553 160.9617 161.1727 161.5270 161.7423 162.1618 162.9810 163.5695 163.8115 164.4536 166.0368 167.1665 167.9275 169.6183 170.6876 172.2815 172.6710 172.9197 173.3181 174.9539 176.5588 177.2738 178.0205 180.5763 181.3045 182.4120 185.4406 186.6064 187.4514 187.8718 188.5445 189.7564 191.9353 193.1684 193.7705 195.7362 196.4545 199.1275 201.8989 205.6507 206.7727 208.8219 221.3291 221.6645 222.4165 222.9114 222.9398 223.5210 225.7874 225.9598 227.8761 229.2658 294.4883 294.7536 295.7041 297.1276 308.5053 313.3783 609.1984 620.3748 622.1125 625.6934 629.6852 631.0134 632.1573 633.1445 634.3148 634.7357 635.3422 635.7979 636.6870 637.0091 637.6458 640.4495 641.5142 642.5901 647.8893 651.8853 657.3267 658.1297 702.0155 707.5894 877.3357 1199.8865 1211.7369 1215.2150 -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 -0.055147 -0.058766 -0.284954 -0.420998 -0.323695 -0.082262 0.120285 0.052147 -0.092599 -0.290394 -0.275597 -0.220348 0.398101 0.043429 0.432690 -0.040506 -0.235438 -0.181447 -0.215763 0.283269 -0.107865 -0.245493 0.271093 -0.190828 -0.211914 -0.142810 -0.130832 -0.180177 0.088861 0.094692 0.106069 0.061082 0.115613 0.093314 0.101945 0.098159 0.129201 0.146611 0.136716 0.135348 0.158563 0.146192 0.155874 0.145564 0.157788 0.157886 0.157341 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 17.0551 17.0588 8.2850 8.4210 8.3237 7.0823 5.8797 5.9479 6.0926 6.2904 6.2756 6.2203 5.6019 5.9566 5.5673 6.0405 6.2354 6.1814 6.2158 5.7167 6.1079 6.2455 5.7289 6.1908 6.2119 6.1428 6.1308 6.1802 0.9111 0.9053 0.8939 0.9389 0.8844 0.9067 0.8981 0.9018 0.8708 0.8534 0.8633 0.8647 0.8414 0.8538 0.8441 0.8544 0.8422 0.8421 0.8427 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 -0.0551 -0.0588 -0.2850 -0.4210 -0.3237 -0.0823 0.1203 0.0521 -0.0926 -0.2904 -0.2756 -0.2203 0.3981 0.0434 0.4327 -0.0405 -0.2354 -0.1814 -0.2158 0.2833 -0.1079 -0.2455 0.2711 -0.1908 -0.2119 -0.1428 -0.1308 -0.1802 0.0889 0.0947 0.1061 0.0611 0.1156 0.0933 0.1019 0.0982 0.1292 0.1466 0.1367 0.1353 0.1586 0.1462 0.1559 0.1456 0.1578 0.1579 0.1573 1.2707 1.2462 2.1302 2.0807 2.0938 3.1037 3.6856 3.8574 3.8879 3.8903 3.9178 3.8961 4.1916 4.2158 3.8252 3.8140 4.1036 3.9260 3.9640 3.7480 3.9230 4.0037 3.6925 3.9087 3.9722 3.8490 3.8626 3.8653 1.0415 1.0319 1.0134 1.0099 1.0009 1.0067 1.0005 1.0011 1.0200 0.9894 0.9851 1.0135 0.9895 1.0078 0.9964 1.0070 0.9912 0.9897 0.9914 1.2707 1.2462 2.1302 2.0807 2.0938 3.1037 3.6856 3.8574 3.8879 3.8903 3.9178 3.8961 4.1916 4.2158 3.8252 3.8140 4.1036 3.9260 3.9640 3.7480 3.9230 4.0037 3.6925 3.9087 3.9722 3.8490 3.8626 3.8653 1.0415 1.0319 1.0134 1.0099 1.0009 1.0067 1.0005 1.0011 1.0200 0.9894 0.9851 1.0135 0.9895 1.0078 0.9964 1.0070 0.9912 0.9897 0.9914 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1873 1.1601 1.1111 0.9059 1.8993 0.9873 0.9063 3.0484 0.8982 0.8779 0.9232 0.9502 0.9121 1.0270 0.9947 1.0509 1.0029 0.9942 1.0008 0.9838 0.9895 0.9943 0.9879 1.8587 0.9502 0.9754 0.9582 0.9297 1.3540 1.3895 1.3885 0.9515 1.4328 0.9738 1.3594 1.4489 0.9807 0.9834 1.3516 1.3897 1.4074 0.9801 1.4102 0.9890 1.3850 0.9866 1.3976 0.9825 0.9893 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 -0.027314650 -2050.709232274639 -2.18569 0.30680 -1.87889 37.06494 -35.41433 1.65061 -7.04155 5.06100 -1.98054 3.19019 8.10881