Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:3.0413,-.9748,-1.9417;4.7779,-.4891,.3098;-1.706,-1.4885,-.2204;-2.2452,-1.7824,1.924;-1.0983,3.4759,.6604;-3.2665,-.8953,-3.0587;.5773,-3.4915,.5737;1.0409,-2.1138,.1863;-.0308,-2.2742,1.2415;-.2086,-4.2831,-.4418;1.455,-4.3536,1.4471;2.3555,-1.595,.5904;-1.4264,-1.8375,1.0436;3.2611,-1.0925,-.2395;-2.988,-.9329,-.4613;-3.1171,.4729,.0853;-3.1272,-.9198,-1.9192;-2.0059,1.309,.0883;-4.3433,.9117,.556;-2.1332,2.5981,.5861;-4.4564,2.2098,1.0381;-3.3611,3.0538,1.0593;.1123,3.1412,.0984;1.1498,2.7484,.9287;.2886,3.2378,-1.2744;2.3885,2.456,.3724;1.5285,2.9364,-1.8189;2.5798,2.5448,-.9994;.6958,-1.7836,-.7863;.2795,-2.132,2.2712;.4707,-4.9058,-1.0265;-.76,-3.6609,-1.1442;-.92,-4.9476,.0525;2.2219,-4.8473,.8473;.8601,-5.1311,1.9297;1.9572,-3.7912,2.2337;2.613,-1.6191,1.6429;-3.7829,-1.5692,-.0582;-1.0539,.9526,-.2841;-5.2007,.2507,.5527;-5.4084,2.5655,1.4094;-3.448,4.0619,1.4448;.9939,2.6802,1.9982;-.5327,3.5472,-1.9094;3.205,2.1574,1.0168;1.6719,3.0104,-2.8893;3.5456,2.3149,-1.4292; 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 2923.9424736325 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 6.651e-06 Time for diagonalization 0.535 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.515 sec Total time needed 1.064 sec 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:3.0413,-.9748,-1.9417;4.7779,-.4891,.3098;-1.706,-1.4885,-.2204;-2.2452,-1.7824,1.924;-1.0983,3.4759,.6604;-3.2665,-.8953,-3.0587;.5773,-3.4915,.5737;1.0409,-2.1137,.1863;-.0308,-2.2742,1.2415;-.2086,-4.2831,-.4418;1.455,-4.3536,1.4471;2.3555,-1.595,.5904;-1.4264,-1.8375,1.0436;3.2611,-1.0925,-.2395;-2.988,-.9329,-.4613;-3.1171,.4729,.0853;-3.1272,-.9198,-1.9192;-2.0059,1.309,.0883;-4.3433,.9117,.556;-2.1332,2.5981,.5861;-4.4564,2.2098,1.0381;-3.3611,3.0538,1.0593;.1123,3.1412,.0984;1.1498,2.7484,.9287;.2886,3.2378,-1.2744;2.3885,2.456,.3724;1.5285,2.9364,-1.8189;2.5798,2.5448,-.9994;.6958,-1.7836,-.7863;.2795,-2.132,2.2712;.4707,-4.9058,-1.0265;-.76,-3.6609,-1.1442;-.92,-4.9476,.0525;2.2219,-4.8473,.8473;.8601,-5.1311,1.9297;1.9572,-3.7912,2.2337;2.613,-1.6191,1.6429;-3.7829,-1.5692,-.0582;-1.0539,.9526,-.2841;-5.2007,.2507,.5527;-5.4084,2.5655,1.4094;-3.448,4.0619,1.4448;.9939,2.6802,1.9982;-.5327,3.5472,-1.9094;3.205,2.1574,1.0168;1.6719,3.0104,-2.8893;3.5456,2.3149,-1.4292; 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:3.0413,-.9748,-1.9417;4.7779,-.4891,.3098;-1.706,-1.4885,-.2204;-2.2452,-1.7824,1.924;-1.0983,3.4759,.6604;-3.2665,-.8953,-3.0587;.5773,-3.4915,.5737;1.0409,-2.1138,.1863;-.0308,-2.2742,1.2415;-.2086,-4.2831,-.4418;1.455,-4.3536,1.4471;2.3555,-1.595,.5904;-1.4264,-1.8375,1.0436;3.2611,-1.0925,-.2395;-2.988,-.9329,-.4613;-3.1171,.4729,.0853;-3.1272,-.9198,-1.9192;-2.0059,1.309,.0883;-4.3433,.9117,.556;-2.1332,2.5981,.5861;-4.4564,2.2098,1.0381;-3.3611,3.0538,1.0593;.1123,3.1412,.0984;1.1498,2.7484,.9287;.2886,3.2378,-1.2744;2.3885,2.456,.3724;1.5285,2.9364,-1.8189;2.5798,2.5448,-.9994;.6958,-1.7836,-.7863;.2795,-2.132,2.2712;.4707,-4.9058,-1.0265;-.76,-3.6609,-1.1442;-.92,-4.9476,.0525;2.2219,-4.8473,.8473;.8601,-5.1311,1.9297;1.9572,-3.7912,2.2337;2.613,-1.6191,1.6429;-3.7829,-1.5692,-.0582;-1.0539,.9526,-.2841;-5.2007,.2507,.5527;-5.4084,2.5655,1.4094;-3.448,4.0619,1.4448;.9939,2.6802,1.9982;-.5327,3.5472,-1.9094;3.205,2.1574,1.0168;1.6719,3.0104,-2.8893;3.5456,2.3149,-1.4292; 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 2740 GEPOL Volume 2955.7809 GEPOL Surface-area 1599.3434 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.7s -2050.68429708 2923.94247363 -4974.62677071 -8623.23824263 3648.61147192 -0.03191731 -4095.15557647 2044.47127939 2.00303894 107.999984247393 107.999984247393 215.999968494787 -151.865439931285 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 -2765.6687 -2765.6454 -525.2696 -524.6392 -523.4090 -392.9340 -283.7511 -282.8823 -282.7991 -281.7704 -281.4666 -281.2717 -280.6420 -280.5528 -280.3917 -280.3557 -280.3353 -279.9713 -279.9413 -279.8547 -279.8526 -279.8270 -279.8254 -279.8227 -279.8178 -279.7293 -279.3333 -279.3102 -260.9359 -260.9117 -199.7776 -199.7546 -199.5312 -199.5254 -199.5060 -199.5014 -34.2439 -33.0049 -31.5970 -28.4845 -28.4367 -27.6937 -27.1617 -26.6980 -26.0192 -25.3727 -24.1314 -24.0975 -23.7284 -23.6749 -23.2260 -22.8853 -21.9952 -21.2255 -20.6247 -20.0284 -19.7922 -19.2369 -19.0583 -18.7271 -18.2518 -18.1165 -17.5193 -16.9116 -16.6832 -16.5300 -16.1697 -16.1375 -16.0213 -15.9001 -15.8244 -15.4391 -15.0751 -14.8850 -14.7623 -14.6190 -14.3505 -14.2678 -14.0992 -14.0744 -13.9125 -13.7883 -13.5898 -13.4036 -13.3099 -13.0223 -12.9471 -12.8450 -12.8185 -12.7310 -12.5249 -12.4279 -12.3361 -12.1098 -12.0060 -11.8399 -11.7706 -11.6635 -11.5375 -11.4332 -11.2154 -10.7850 -10.3632 -9.6724 -9.4655 -9.2583 -8.8835 -8.7041 0.9727 1.3854 1.6174 1.6770 1.7225 2.0637 2.4539 2.5286 2.9814 3.1387 3.2485 3.6567 3.7755 3.8985 4.1144 4.2245 4.4432 4.5341 4.6706 4.8406 4.8986 5.0411 5.1499 5.2321 5.3251 5.3588 5.5962 5.7985 5.8844 5.9321 6.0510 6.1098 6.2062 6.3185 6.5232 6.6308 6.6644 6.7591 6.9811 7.0726 7.2686 7.2746 7.4295 7.5608 7.6829 7.7006 7.7445 7.8765 7.9855 8.0818 8.1602 8.2856 8.3622 8.5059 8.5356 8.6268 8.6813 8.7347 8.8301 9.0125 9.1371 9.3318 9.4452 9.4877 9.6565 9.7483 9.7970 10.0006 10.0357 10.1502 10.2900 10.3510 10.4120 10.6298 10.7725 10.8375 10.9058 11.0023 11.0410 11.1425 11.2397 11.2995 11.4619 11.4932 11.5823 11.7904 11.7937 11.8474 12.0139 12.0764 12.1519 12.1723 12.3129 12.4323 12.6262 12.6827 12.7410 12.8521 12.8728 13.1307 13.1723 13.2275 13.3301 13.4029 13.4624 13.5460 13.7364 13.7622 13.8613 14.0226 14.0417 14.0898 14.2008 14.2279 14.3142 14.4403 14.5800 14.6544 14.6947 14.7728 14.9424 14.9678 15.0536 15.1446 15.2989 15.4113 15.4554 15.6079 15.6800 15.7067 15.8097 15.8346 15.8988 16.0115 16.2980 16.4094 16.4300 16.5401 16.6175 16.7254 16.7711 16.8237 16.9342 17.0328 17.1908 17.2890 17.4988 17.6678 17.6789 17.8359 17.8992 18.0189 18.1322 18.2575 18.4170 18.6645 18.8148 18.9826 19.0412 19.1667 19.4775 19.5499 19.6972 19.9174 19.9685 20.0501 20.1145 20.2917 20.3900 20.6411 20.6750 20.7523 20.8503 20.9945 21.0406 21.2690 21.3042 21.4387 21.4776 21.6247 21.6406 21.9197 22.0138 22.1869 22.2666 22.4932 22.5649 22.6849 22.7140 22.7991 23.1675 23.2359 23.3516 23.5248 23.5783 23.6159 23.8434 24.0569 24.1380 24.3544 24.3893 24.6048 24.6759 24.8955 24.9609 25.0912 25.3300 25.4819 25.5528 25.7562 26.0086 26.0473 26.1999 26.4573 26.4926 26.5702 26.8730 26.9775 27.1222 27.3189 27.4893 27.7338 27.8239 27.9545 28.0604 28.3154 28.3804 28.6634 28.7803 28.9483 29.0159 29.1186 29.2310 29.4655 29.5647 29.7095 29.8819 29.8941 30.1201 30.1632 30.3064 30.4666 30.7229 30.8319 30.8954 31.1409 31.3145 31.3488 31.4040 31.6815 31.7913 31.9136 32.0961 32.2128 32.4005 32.4802 32.6011 32.6355 32.8660 32.9812 33.0013 33.0758 33.2723 33.3329 33.5228 33.6895 33.8996 33.9537 34.1165 34.2750 34.3628 34.4588 34.5378 34.9088 35.1772 35.2829 35.3196 35.4613 35.5390 35.7614 35.9472 36.0726 36.1347 36.2580 36.2993 36.4610 36.7250 36.7464 36.7873 36.9779 37.1110 37.2239 37.3067 37.4652 37.5237 37.7094 37.8031 37.8770 38.1754 38.3680 38.3968 38.6285 38.6640 38.8039 38.9376 39.0197 39.2060 39.2343 39.4518 39.5037 39.6470 39.7687 39.9008 39.9777 40.1888 40.2851 40.5566 40.6604 40.6911 40.9062 41.1112 41.2163 41.2406 41.4663 41.5946 41.7725 42.0441 42.1961 42.3482 42.4964 42.6218 42.7731 43.0425 43.1183 43.2680 43.3452 43.5998 43.7090 43.8706 43.9403 44.0646 44.1179 44.3502 44.5589 44.6658 44.7068 44.8776 44.9717 45.1373 45.1577 45.5503 45.6256 45.6785 45.7403 46.0253 46.1418 46.2715 46.3055 46.4679 46.7054 46.8586 46.9748 47.2478 47.2854 47.5442 47.6447 47.8913 48.1024 48.1389 48.3813 48.4123 48.5512 48.8302 48.9948 49.1327 49.2072 49.4369 49.5627 49.7522 50.0657 50.1986 50.3287 50.3492 50.8338 50.8967 51.0852 51.2379 51.3595 51.5064 51.6243 51.7278 51.9028 51.9560 52.0046 52.1658 52.3228 52.6665 52.8214 53.1126 53.2034 53.3864 53.4337 53.7677 53.8718 53.9655 54.3981 54.5425 54.8427 54.9378 55.0691 55.3769 55.6145 55.7081 55.8448 56.0895 56.3875 56.4231 56.6278 56.8800 57.2310 57.2871 57.3885 57.4835 57.6814 57.7610 57.8692 58.0667 58.2392 58.4077 58.5981 58.6977 58.9404 58.9937 59.2398 59.3202 59.6256 59.7916 60.0606 60.0946 60.2740 60.3563 60.4052 60.8114 61.1423 61.2272 61.5141 61.6633 61.8909 62.1375 62.5093 62.7309 62.9538 63.3600 63.5501 63.6544 63.7602 64.0713 64.1691 64.2839 64.6661 64.7898 64.8793 65.0100 65.2169 65.3412 65.4469 65.7171 65.8059 66.0980 66.1128 66.2440 66.5861 66.6479 66.8088 67.1491 67.3322 67.4608 67.7267 67.9684 68.0108 68.1803 68.2062 68.5028 68.7831 68.9847 69.0927 69.3368 69.5481 69.8023 70.0937 70.3434 70.6431 70.7448 71.2415 71.3546 71.8753 72.2570 72.4909 72.5479 72.9928 73.2557 73.3642 73.5040 73.7378 74.0872 74.3401 74.6017 75.0329 75.0588 75.1649 75.3028 75.3970 75.4996 75.7109 76.0919 76.3634 76.4800 76.6375 76.6920 76.8487 77.0143 77.1885 77.3938 77.5651 77.6161 77.7901 77.9891 78.1588 78.2220 78.4075 78.5686 78.6794 78.9516 78.9988 79.1297 79.2195 79.3380 79.4898 79.5939 79.8311 79.9065 79.9930 80.0503 80.4043 80.5518 80.6778 80.8130 80.9748 81.1164 81.3846 81.5223 81.7173 81.7328 81.8288 81.9562 82.2537 82.3284 82.4525 82.6451 82.7397 82.8859 83.0288 83.2008 83.3261 83.5068 83.7334 83.7654 83.9406 84.2578 84.2917 84.4675 84.5176 84.5611 84.7417 84.9340 85.1000 85.2279 85.3545 85.4206 85.5029 85.6056 85.8149 85.8982 86.0957 86.1226 86.2282 86.2779 86.4663 86.6327 86.6762 86.7796 86.8132 86.9298 87.1704 87.3332 87.3701 87.5776 87.7905 87.8846 87.9308 88.1217 88.2343 88.4606 88.5462 88.7276 88.7673 88.9511 89.1311 89.1905 89.3697 89.4483 89.5048 89.5899 89.7090 89.9493 90.0298 90.1367 90.3804 90.5195 90.6390 90.8392 90.9376 91.1242 91.2758 91.3592 91.5695 91.5981 91.7526 91.8729 92.0386 92.2018 92.3423 92.3933 92.5689 92.6905 92.8300 93.0844 93.1021 93.1617 93.2271 93.4808 93.5276 93.6988 93.8213 93.8863 94.0398 94.1106 94.2163 94.2902 94.4561 94.5957 94.6319 94.9710 95.0114 95.1296 95.2074 95.3550 95.4944 95.6996 95.8071 96.0278 96.1030 96.1561 96.4633 96.5827 96.6466 96.7128 96.9895 97.1785 97.2306 97.4062 97.5164 97.6550 97.7533 97.8109 98.0051 98.2644 98.5209 98.5869 98.7591 98.8268 99.0733 99.2449 99.3615 99.5978 99.7338 99.9765 100.1077 100.1932 100.3514 100.5121 100.7435 100.9762 101.0996 101.3327 101.4888 101.5216 101.7728 101.8714 102.0706 102.2223 102.5412 102.8029 102.8541 103.1350 103.2014 103.5824 103.8527 103.9904 104.1116 104.1646 104.5376 104.8590 105.0677 105.0839 105.1613 105.2724 105.4212 105.5682 105.6676 105.7850 105.8427 105.9024 106.1415 106.2087 106.5219 106.7457 106.7800 106.9413 107.0615 107.1843 107.3338 107.3672 107.6299 107.8772 108.0434 108.3373 108.6501 108.7946 108.9603 109.0886 109.2805 109.3531 109.5411 109.6742 109.7503 110.0592 110.2182 110.2943 110.3611 110.6258 110.6749 110.9172 111.0632 111.1297 111.3554 111.4808 111.7260 111.8180 111.9070 112.0105 112.2123 112.5792 112.8115 112.9463 113.1156 113.3324 113.6298 113.7957 113.8199 113.9904 114.3466 114.6309 114.8104 114.9247 114.9943 115.0031 115.2228 115.2919 115.6472 115.7214 115.9722 116.0657 116.1690 116.4613 116.6385 116.7336 116.9521 117.2132 117.2516 117.3540 117.4748 117.6048 117.7763 117.9457 118.1293 118.2395 118.4734 118.5489 118.5845 118.6748 118.7823 118.8553 118.9944 119.1675 119.2782 119.4247 119.7740 119.9639 119.9874 120.1397 120.2776 120.5882 120.6891 121.0172 121.1320 121.1736 121.5108 121.8146 121.8893 122.0782 122.2101 122.5502 122.6787 122.7345 122.8620 123.5440 123.7697 124.0150 124.2901 124.6486 124.6976 125.0491 125.3935 125.5054 126.0066 126.1725 126.4468 126.6118 126.7750 126.9368 127.1551 127.1764 127.3821 128.1346 128.3755 128.6914 128.9174 129.0457 129.3444 129.5561 129.6737 129.7942 129.9297 129.9820 130.2913 130.5799 130.6584 130.7642 131.2064 131.4680 131.5291 131.7151 131.7989 132.0277 132.2445 132.3868 132.5565 132.6300 132.9337 133.0593 133.1896 133.8205 134.2903 134.6378 134.7572 134.8548 135.1792 135.4968 135.6556 135.8461 136.5326 136.7654 137.0782 137.6570 137.8275 138.0073 138.2848 138.5445 138.6318 138.6937 139.2902 139.5184 139.8143 140.2004 140.3409 140.8686 141.0496 141.0982 141.2331 141.8294 142.1862 142.6144 142.8408 143.1426 143.6087 143.7802 143.9438 144.2512 144.3808 144.7848 144.9771 145.1519 145.3079 145.4028 145.4962 145.7484 146.2385 146.5681 146.7065 147.3023 147.4263 147.6427 147.8624 148.1025 148.2939 148.5425 148.6924 148.9555 149.2822 149.5973 150.0238 150.1034 150.2874 150.6658 151.0161 151.2107 151.5338 151.5839 152.2320 152.5118 152.9599 153.2448 153.7349 153.8622 154.6006 154.7682 155.2670 155.5588 155.9759 156.1599 156.5369 156.7353 157.1598 157.6156 157.7190 158.1691 158.7540 159.3408 159.4097 159.7106 160.0144 160.4721 160.7640 161.3253 161.5251 161.7831 162.0648 162.6428 163.4998 164.2493 164.7005 165.6543 166.5289 167.5853 169.4520 169.9931 171.6838 172.4805 173.1676 174.7634 175.7143 176.0249 176.9259 177.4859 179.0983 181.8838 182.2342 184.4724 186.9249 187.8854 188.0783 188.3566 189.8498 191.1776 193.0959 193.4643 196.3143 196.8005 198.2339 200.5800 206.0620 206.8071 207.9288 221.6844 222.1866 222.7904 223.2066 223.4112 224.4605 226.1025 226.2068 228.1782 229.6854 295.8824 295.9564 296.3329 297.5193 308.8192 314.2656 609.8963 620.9392 621.8248 626.0848 629.6017 630.9627 632.1950 632.8636 633.9685 634.4559 635.5432 635.9346 636.6678 637.1410 637.4208 639.6539 642.0647 643.5141 647.2848 650.6113 657.4347 658.3950 704.6803 709.9607 876.8045 1199.4056 1212.7749 1215.7217 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 -0.057299 -0.061445 -0.279419 -0.427122 -0.324624 -0.084934 0.094913 0.060920 -0.102872 -0.266883 -0.265330 -0.229116 0.392082 0.050691 0.365203 0.007201 -0.228689 -0.192711 -0.232174 0.295057 -0.095115 -0.245898 0.241735 -0.188179 -0.172968 -0.148341 -0.146916 -0.157921 0.088209 0.100790 0.097354 0.094482 0.102550 0.101606 0.099836 0.089768 0.134741 0.147319 0.134134 0.143155 0.157245 0.146249 0.147748 0.152629 0.152173 0.158384 0.151784 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 17.0573 17.0614 8.2794 8.4271 8.3246 7.0849 5.9051 5.9391 6.1029 6.2669 6.2653 6.2291 5.6079 5.9493 5.6348 5.9928 6.2287 6.1927 6.2322 5.7049 6.0951 6.2459 5.7583 6.1882 6.1730 6.1483 6.1469 6.1579 0.9118 0.8992 0.9026 0.9055 0.8975 0.8984 0.9002 0.9102 0.8653 0.8527 0.8659 0.8568 0.8428 0.8538 0.8523 0.8474 0.8478 0.8416 0.8482 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 -0.0573 -0.0614 -0.2794 -0.4271 -0.3246 -0.0849 0.0949 0.0609 -0.1029 -0.2669 -0.2653 -0.2291 0.3921 0.0507 0.3652 0.0072 -0.2287 -0.1927 -0.2322 0.2951 -0.0951 -0.2459 0.2417 -0.1882 -0.1730 -0.1483 -0.1469 -0.1579 0.0882 0.1008 0.0974 0.0945 0.1025 0.1016 0.0998 0.0898 0.1347 0.1473 0.1341 0.1432 0.1572 0.1462 0.1477 0.1526 0.1522 0.1584 0.1518 1.2645 1.2427 2.1110 2.0835 2.0950 3.1099 3.7484 3.7848 3.8912 3.9137 3.9099 3.8712 4.1667 4.1899 3.7622 3.6816 4.0656 3.9226 4.0056 3.7381 3.8924 4.0032 3.7193 3.9972 3.9504 3.8231 3.9085 3.8182 1.0383 1.0296 1.0010 1.0112 0.9996 1.0010 1.0019 1.0045 1.0144 1.0154 1.0249 1.0029 0.9889 1.0078 1.0034 0.9991 0.9998 0.9903 1.0046 1.2645 1.2427 2.1110 2.0835 2.0950 3.1099 3.7484 3.7848 3.8912 3.9137 3.9099 3.8712 4.1667 4.1899 3.7622 3.6816 4.0656 3.9226 4.0056 3.7381 3.8924 4.0032 3.7193 3.9972 3.9504 3.8231 3.9085 3.8182 1.0383 1.0296 1.0010 1.0112 0.9996 1.0010 1.0019 1.0045 1.0144 1.0154 1.0249 1.0029 0.9889 1.0078 1.0034 0.9991 0.9998 0.9903 1.0046 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 1.1671 1.1326 1.1171 0.8829 1.9231 1.0278 0.8803 3.0522 0.8742 0.8934 0.9569 0.9544 0.9188 0.9973 0.9960 1.0253 1.0019 0.9885 0.9824 0.9946 0.9943 0.9882 0.9861 1.8542 0.9576 0.8848 0.9370 0.9817 1.3384 1.4049 1.3554 0.9534 1.4130 0.9850 1.3463 1.4588 0.9827 0.9851 1.4013 1.3678 1.4124 0.9868 1.4204 0.9835 1.3533 0.9828 1.4051 0.9798 0.9891 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 -0.028506384 -2050.712803465675 -13.83776 14.35585 0.51809 -9.45695 8.61160 -0.84536 8.59482 -7.36035 1.23448 1.58335 4.02455