Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 Cl F F F O O O O O O O N 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 1 2 2 2 3 3 3 3 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 446.65400959999977 AuxInfo=1/0/N:31,23,30,28,18,21,25,27,17,14,22,15,13,24,16,20,26,19,29,1,2,3,4,12,9,8,10,11,7,5,6/E:(21,22,23)(27,28)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,25.1,26.1,27.1,28.1/rA:46nClFFFOOOO1O1O1O1NC3CC3C3C3C3C3C3C3C3CC3C3C3C3C3CCCHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10s11;;s5;s6;s12s13;s13s15;s15;s5s8s13;s6;s16s18;;s14;s1s20;s20;s7s9s14;s22s24;s22s25;s2s3s4s22;s7;s30;s14;s17;s18;s21;s23;s23;s23;s25;s27;s28;s30;s30;s31;s31;s31;/rC:-.8149,1.4514,2.5526;-5.0857,-.3138,-.2926;-5.8245,1.5327,.5151;-5.5503,1.3206,-1.61;2.5832,-2.0341,.1381;.2021,2.9917,.2613;.1052,-2.5892,.5652;1.6958,-1.6452,-1.8806;.225,-4.6081,-.4051;4.7846,-.932,-1.2195;5.8783,.528,-.1074;4.8519,.082,-.5602;2.4026,.1829,-.532;2.2511,-3.4198,.0426;1.2982,2.2291,.0531;3.6256,.8057,-.3191;1.2337,.9032,-.3572;2.5262,2.8456,.2726;2.2236,-1.2617,-.8726;-1.044,2.4665,.0681;3.6896,2.1332,.0821;-3.6175,1.522,-.2788;2.8608,-4.1125,1.245;-1.6632,1.7437,1.0844;-1.7069,2.6997,-1.1211;.7409,-3.607,.0194;-2.9503,1.2706,.915;-2.9996,2.2326,-1.2964;-5.0199,1.0178,-.424;-1.3341,-2.572,.5542;-1.8708,-2.074,-.7672;2.6575,-3.8456,-.8778;.2827,.4147,-.5288;2.5648,3.8815,.5821;4.6424,2.6207,.2324;3.9407,-3.9689,1.2506;2.6681,-5.1824,1.1897;2.4515,-3.7346,2.1817;-1.2145,3.2576,-1.907;-3.4226,.7145,1.7151;-3.5039,2.4326,-2.2311;-1.6025,-1.892,1.3615;-1.7252,-3.5591,.8032;-1.4896,-1.08,-1.0046;-2.9568,-2.0075,-.7064;-1.6271,-2.745,-1.5906; 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 1686 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 236 Dim 1182 ENuc 3459.4569689110 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 4.700e-06 Time for diagonalization 0.497 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.240 sec Total time needed 0.744 sec 17 9 9 9 8 8 8 8 8 8 8 7 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 1 446.65400959999977 AuxInfo=1/0/N:31,23,30,28,18,21,25,27,17,14,22,15,13,24,16,20,26,19,29,1,2,3,4,12,9,8,10,11,7,5,6/E:(21,22,23)(27,28)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,25.1,26.1,27.1,28.1/rA:46nClFFFOOOO1O1O1O1NC3CC3C3C3C3C3C3C3C3CC3C3C3C3C3CCCHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10s11;;s5;s6;s12s13;s13s15;s15;s5s8s13;s6;s16s18;;s14;s1s20;s20;s7s9s14;s22s24;s22s25;s2s3s4s22;s7;s30;s14;s17;s18;s21;s23;s23;s23;s25;s27;s28;s30;s30;s31;s31;s31;/rC:-.8149,1.4514,2.5526;-5.0857,-.3138,-.2926;-5.8245,1.5327,.5151;-5.5503,1.3206,-1.61;2.5832,-2.0341,.1381;.2021,2.9917,.2613;.1052,-2.5892,.5652;1.6958,-1.6452,-1.8806;.225,-4.6081,-.4051;4.7846,-.932,-1.2195;5.8783,.528,-.1074;4.8519,.082,-.5602;2.4026,.1829,-.532;2.2511,-3.4198,.0426;1.2982,2.2291,.0531;3.6256,.8057,-.3191;1.2337,.9032,-.3572;2.5262,2.8456,.2726;2.2236,-1.2617,-.8726;-1.044,2.4665,.0681;3.6896,2.1332,.0821;-3.6175,1.522,-.2788;2.8608,-4.1125,1.245;-1.6632,1.7437,1.0844;-1.7069,2.6997,-1.1211;.7409,-3.607,.0194;-2.9503,1.2706,.915;-2.9996,2.2326,-1.2964;-5.0199,1.0178,-.424;-1.3341,-2.572,.5542;-1.8708,-2.074,-.7672;2.6575,-3.8456,-.8778;.2827,.4147,-.5288;2.5648,3.8815,.5821;4.6424,2.6207,.2324;3.9407,-3.9689,1.2506;2.6681,-5.1824,1.1897;2.4515,-3.7346,2.1817;-1.2145,3.2576,-1.907;-3.4226,.7145,1.7151;-3.5039,2.4326,-2.2311;-1.6025,-1.892,1.3615;-1.7252,-3.5591,.8032;-1.4896,-1.08,-1.0046;-2.9568,-2.0075,-.7064;-1.6271,-2.745,-1.5906; 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" 446.65400959999977 AuxInfo=1/0/N:31,23,30,28,18,21,25,27,17,14,22,15,13,24,16,20,26,19,29,1,2,3,4,12,9,8,10,11,7,5,6/E:(21,22,23)(27,28)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,25.1,26.1,27.1,28.1/rA:46nClFFFOOOO1O1O1O1NC3CC3C3C3C3C3C3C3C3CC3C3C3C3C3CCCHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10s11;;s5;s6;s12s13;s13s15;s15;s5s8s13;s6;s16s18;;s14;s1s20;s20;s7s9s14;s22s24;s22s25;s2s3s4s22;s7;s30;s14;s17;s18;s21;s23;s23;s23;s25;s27;s28;s30;s30;s31;s31;s31;/rC:-.8149,1.4514,2.5526;-5.0857,-.3138,-.2926;-5.8245,1.5327,.5151;-5.5503,1.3206,-1.61;2.5832,-2.0341,.1381;.2021,2.9917,.2613;.1052,-2.5892,.5652;1.6958,-1.6452,-1.8806;.225,-4.6081,-.4051;4.7846,-.932,-1.2195;5.8783,.528,-.1074;4.8519,.082,-.5602;2.4026,.1829,-.532;2.2511,-3.4198,.0426;1.2982,2.2291,.0531;3.6256,.8057,-.3191;1.2337,.9032,-.3572;2.5262,2.8456,.2726;2.2236,-1.2617,-.8726;-1.044,2.4665,.0681;3.6896,2.1332,.0821;-3.6175,1.522,-.2788;2.8608,-4.1125,1.245;-1.6632,1.7437,1.0844;-1.7069,2.6997,-1.1211;.7409,-3.607,.0194;-2.9503,1.2706,.915;-2.9996,2.2326,-1.2964;-5.0199,1.0178,-.424;-1.3341,-2.572,.5542;-1.8708,-2.074,-.7672;2.6575,-3.8456,-.8778;.2827,.4147,-.5288;2.5648,3.8815,.5821;4.6424,2.6207,.2324;3.9407,-3.9689,1.2506;2.6681,-5.1824,1.1897;2.4515,-3.7346,2.1817;-1.2145,3.2576,-1.907;-3.4226,.7145,1.7151;-3.5039,2.4326,-2.2311;-1.6025,-1.892,1.3615;-1.7252,-3.5591,.8032;-1.4896,-1.08,-1.0046;-2.9568,-2.0075,-.7064;-1.6271,-2.745,-1.5906; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 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 2691 GEPOL Volume 2826.9271 GEPOL Surface-area 1582.6114 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -2074.26435601 3459.45696891 -5533.72132492 -9730.86256917 4197.14124424 -0.03821875 -4141.81909210 2067.55473609 2.00324520 118.000027520044 118.000027520044 236.000055040087 -165.656195002546 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 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.7093 -675.5908 -675.5013 -675.4908 -525.3300 -525.1420 -524.8807 -524.6456 -524.6321 -523.5813 -523.2898 -399.5671 -286.7538 -283.9881 -283.5513 -282.4778 -282.2551 -282.0171 -281.8851 -281.6840 -281.2621 -281.1671 -280.8751 -280.7248 -280.7015 -280.5450 -280.5332 -280.4151 -280.3584 -279.5926 -279.3057 -260.9765 -199.8174 -199.5754 -199.5640 -39.3789 -37.6434 -36.8788 -36.7736 -34.3678 -33.8025 -33.6888 -32.6639 -31.6821 -31.3400 -28.3089 -27.9756 -26.8478 -25.8498 -25.4882 -24.9559 -24.6820 -24.1143 -23.8802 -23.1149 -22.3526 -21.7665 -21.4630 -20.7834 -20.5419 -20.3807 -19.8855 -19.5778 -19.3529 -19.2999 -18.9662 -18.6604 -18.5508 -18.2886 -18.1639 -17.6767 -17.4435 -17.1946 -16.9767 -16.7378 -16.4885 -16.1834 -15.9889 -15.9738 -15.9021 -15.7171 -15.5717 -15.3668 -15.2401 -15.0895 -14.9944 -14.8481 -14.7878 -14.6224 -14.4337 -14.3805 -14.2548 -14.2332 -14.0436 -13.7904 -13.5827 -13.3239 -13.2205 -13.1647 -13.1378 -12.8821 -12.7105 -12.5997 -12.5109 -12.3955 -11.9141 -11.8226 -11.7607 -11.6552 -11.6183 -11.3590 -11.1579 -11.0378 -10.4427 -10.1127 -9.9866 -9.5996 -9.4387 -0.6932 0.7019 0.7829 1.0728 1.7785 2.1843 2.5384 2.7565 3.2859 3.7113 3.9439 4.1663 4.2019 4.4609 4.5744 4.6492 4.7650 4.8336 5.0888 5.1398 5.2209 5.4295 5.5107 5.5728 5.6987 5.7659 5.8551 6.0427 6.1721 6.2768 6.2948 6.5008 6.6971 6.7311 6.8094 6.9668 7.0613 7.1989 7.3360 7.4702 7.5618 7.7064 7.8062 7.9057 7.9934 8.0788 8.1303 8.3176 8.3724 8.5285 8.6735 8.8078 8.9213 8.9925 9.1075 9.1882 9.2101 9.3079 9.4631 9.5429 9.7510 9.8205 9.9202 10.0824 10.1882 10.2680 10.3785 10.4247 10.6124 10.7406 10.7548 10.7881 10.9386 10.9975 11.1594 11.2805 11.3100 11.4383 11.5236 11.5469 11.7863 11.9117 11.9879 12.1108 12.1938 12.3608 12.4087 12.4708 12.6329 12.7326 12.8166 12.8378 12.9601 13.1010 13.2934 13.4373 13.4608 13.5100 13.6951 13.7822 13.7855 13.8444 13.9161 13.9771 14.0539 14.2034 14.2355 14.3859 14.4357 14.4799 14.6422 14.7457 14.7803 14.8707 15.0147 15.0728 15.1243 15.2964 15.4602 15.6232 15.7336 15.8093 15.9048 15.9520 16.1822 16.2141 16.3718 16.5437 16.6255 16.7692 16.8622 16.9907 17.1083 17.1830 17.5236 17.5363 17.6008 17.7472 17.8326 18.0019 18.0894 18.3381 18.4692 18.5907 18.7698 18.8499 18.9799 19.1254 19.1755 19.3401 19.4562 19.5808 19.6524 19.7784 19.8650 20.0181 20.0632 20.1445 20.2041 20.3782 20.5684 20.7650 20.8059 20.9041 20.9651 21.1662 21.4055 21.5207 21.6046 21.6094 21.6963 21.9129 22.1199 22.1793 22.3377 22.3975 22.6227 22.7368 22.8072 22.9240 22.9294 23.1930 23.2499 23.4517 23.5978 23.6733 23.8690 23.9020 24.0091 24.1050 24.2872 24.4401 24.5568 24.6897 24.7748 24.9028 24.9365 25.1814 25.5392 25.5710 25.6709 25.7127 25.9227 26.0996 26.2803 26.5118 26.6712 26.7224 26.8506 26.8976 27.0188 27.1992 27.2455 27.4769 27.4976 27.5953 27.7289 27.8488 28.0255 28.1579 28.2269 28.5167 28.5947 28.7171 28.7413 29.0312 29.0750 29.3897 29.5775 29.6780 29.7831 29.9631 30.0442 30.1712 30.3411 30.4431 30.5782 30.7913 30.8873 30.9664 31.0535 31.3549 31.5360 31.6116 31.8526 31.9674 32.0297 32.2416 32.4031 32.5358 32.5773 32.7701 32.9121 33.1065 33.2353 33.4312 33.4959 33.6262 33.7850 33.9236 34.1341 34.4215 34.4338 34.5715 34.9009 35.0571 35.1490 35.2978 35.4136 35.5332 35.6958 35.7829 35.9589 36.0163 36.2484 36.4234 36.7488 36.9168 37.0439 37.2794 37.3659 37.4312 37.5534 37.7459 37.8499 38.0029 38.2501 38.3266 38.4780 38.5154 38.6288 38.7589 38.9462 39.1568 39.4539 39.5288 39.6347 39.8155 39.8589 40.0555 40.1684 40.6430 40.6745 40.8721 40.9561 41.0173 41.4234 41.4441 41.5388 41.8017 41.8455 42.0524 42.2111 42.4961 42.5848 42.8988 43.0816 43.1829 43.3889 43.5233 43.6355 43.8212 43.9542 43.9785 44.0616 44.3036 44.3880 44.6188 44.7869 45.0410 45.1583 45.2242 45.3393 45.4351 45.7194 45.8939 45.9482 46.0534 46.3122 46.4870 46.5885 46.6372 46.7697 46.9600 47.0632 47.2305 47.5437 47.5944 47.7573 47.9317 48.1859 48.4954 48.5530 48.5901 48.6951 48.9038 49.2049 49.4723 49.5098 49.7482 49.8656 50.3372 50.4557 50.5668 50.7592 50.8222 50.9280 51.3420 51.5093 51.7843 51.8981 52.1823 52.2363 52.4308 52.6481 53.0403 53.2134 53.3433 53.4944 53.6205 54.0316 54.0725 54.2103 54.3580 54.4057 54.6657 54.9160 55.1501 55.3643 55.6434 55.7110 55.8893 55.9841 56.2686 56.3965 56.4707 56.5553 56.9162 56.9785 57.1547 57.2241 57.4950 57.7803 57.9688 58.0410 58.0855 58.3987 58.6820 58.8208 59.0599 59.2912 59.3659 59.5232 59.8274 59.9698 60.0647 60.1830 60.2709 60.3677 60.5713 60.8591 60.9900 61.1160 61.3081 61.4162 61.8064 61.8863 62.2966 62.3740 62.4699 62.7474 62.8057 62.9835 63.2001 63.3742 63.5503 63.7413 63.9367 64.1226 64.2452 64.7031 64.8920 64.9511 65.1051 65.4226 65.5215 65.5583 65.8204 65.9996 66.2149 66.2747 66.4269 66.7782 66.8970 67.0355 67.2121 67.3350 67.3832 67.4557 67.7964 68.1922 68.2596 68.7052 68.7737 69.0425 69.3357 69.4931 69.9879 70.2264 70.4154 70.7638 70.8633 71.1631 71.6104 71.7687 72.1724 72.4758 72.5376 72.7762 73.1493 73.2716 73.5245 73.6163 73.7706 74.1189 74.2153 74.6266 74.8082 75.0215 75.1580 75.3577 75.8958 76.0272 76.1351 76.1908 76.3246 76.4945 76.6102 76.8235 77.0858 77.2015 77.3186 77.6557 77.7244 77.9683 78.2970 78.5835 78.6765 78.7436 78.8261 79.0770 79.2011 79.2156 79.3273 79.5506 79.6651 79.8371 80.0283 80.1878 80.3341 80.3922 80.5755 80.6968 80.9364 80.9794 81.1930 81.2960 81.4263 81.5112 81.6116 81.7934 81.8159 82.2773 82.4405 82.5095 82.5286 82.7151 82.8470 82.8802 82.9873 83.1574 83.3776 83.6281 83.7670 83.8560 83.9350 84.0900 84.1579 84.2069 84.3415 84.5163 84.7045 84.7168 84.7766 84.9964 85.2894 85.4798 85.5412 85.6383 85.7639 85.9188 86.0714 86.3955 86.4774 86.5782 86.6251 86.7737 86.9007 86.9337 87.1456 87.2575 87.4148 87.4651 87.5670 87.8000 87.9087 88.0672 88.1127 88.2692 88.3141 88.5107 88.5606 88.6677 88.9152 89.0526 89.2274 89.2687 89.4701 89.5641 89.7467 89.8276 90.0017 90.2195 90.2670 90.3192 90.6431 90.7936 90.9910 91.0965 91.1700 91.2155 91.3800 91.5895 91.6369 91.7731 91.9418 92.0073 92.1123 92.1927 92.3452 92.4086 92.4335 92.8967 93.1468 93.1705 93.2332 93.4145 93.6003 93.6570 93.9393 93.9487 94.0324 94.1586 94.3523 94.6799 94.7020 94.7988 94.9336 95.1350 95.2027 95.4418 95.5628 95.6509 95.8225 95.9449 96.2708 96.3616 96.4901 96.5955 96.7269 96.8765 96.9706 97.1242 97.2266 97.3233 97.5513 97.8396 97.8961 98.1640 98.2104 98.3877 98.4264 98.6530 98.9446 99.1228 99.1917 99.5013 99.5841 99.8911 100.0521 100.2709 100.3696 100.5224 100.7553 100.8932 101.0260 101.2545 101.4265 101.6832 101.8252 101.9798 102.1136 102.4907 102.6279 103.0168 103.1167 103.1882 103.3157 103.4077 103.5913 104.1311 104.2549 104.3791 104.4729 104.6829 104.8699 105.0164 105.1293 105.2877 105.4525 105.6740 105.7832 105.8555 106.1020 106.3236 106.3968 106.7873 106.9333 107.1709 107.4180 107.7276 107.8934 107.9926 108.0719 108.2665 108.3482 108.5980 108.7404 108.9706 109.1725 109.3011 109.5183 109.6386 109.8033 109.9187 110.0556 110.1885 110.3910 110.6079 110.6812 110.8726 111.0473 111.1296 111.2237 111.4133 111.4981 111.7693 111.8293 112.0844 112.2770 112.6248 112.8519 112.8839 113.2244 113.3742 113.5126 113.5679 113.7702 113.9241 114.1990 114.3296 114.5637 114.6557 114.7250 114.8505 114.9380 115.0689 115.4361 115.6410 115.7577 115.8379 116.1770 116.2466 116.4901 116.6447 116.9157 117.0103 117.2487 117.4482 117.9447 118.1138 118.1636 118.3204 118.4084 118.6211 118.7208 118.9674 119.0507 119.1289 119.2477 119.5959 119.8362 119.9859 120.0581 120.2016 120.5577 120.7359 121.1149 121.2367 121.4573 121.6359 121.8179 122.1349 122.4194 122.5581 123.0152 123.2241 123.5893 123.7808 124.2438 124.2547 124.7485 125.2618 125.4257 125.9340 126.1586 126.3807 126.4480 126.7076 126.9966 127.2263 127.3323 127.4540 127.6547 127.8720 128.2318 128.4998 128.6013 128.7566 129.3312 129.7507 129.8820 129.8956 130.4399 130.7412 130.8200 131.2230 131.4505 131.7399 131.9734 132.1916 132.6404 132.9286 133.0792 133.1886 133.6105 134.0215 134.2813 134.4706 134.6748 134.8400 134.9738 135.0438 135.4370 135.4894 135.6174 135.9505 136.0992 136.4216 136.9264 137.3317 137.7597 137.9404 138.2053 138.5066 138.6666 139.7235 139.9754 140.3788 140.5927 140.7260 141.1991 141.7280 141.8321 142.1755 142.3562 142.5901 142.7825 142.8760 143.0446 143.3064 143.6050 143.7308 144.0466 144.2139 144.6374 144.6993 144.8109 145.0156 145.1778 145.8339 146.4803 146.7313 147.3731 147.3871 147.7196 147.8089 148.0915 148.3906 148.4467 148.7539 148.8231 149.1942 149.2197 149.4341 149.5990 149.7659 150.1735 150.4585 150.6634 150.8387 151.0794 151.2532 151.7676 151.9274 152.2365 152.3739 152.5178 153.1225 153.3982 153.6067 153.8050 154.1018 154.1646 154.5924 154.9889 155.1709 155.7841 155.8879 156.1758 156.4778 156.7475 157.1886 157.2620 157.5144 157.6473 157.8013 158.2407 158.7816 159.8892 160.1547 161.1685 161.9804 162.4344 162.7081 163.7538 163.9352 164.6106 165.4291 165.9822 167.8494 168.6621 169.3587 169.8918 170.9116 171.3867 171.6965 172.6465 172.9985 173.1183 174.2218 174.9211 175.1918 175.5086 176.7109 176.8856 177.3872 177.6731 178.4084 179.2779 179.5019 180.0586 180.0964 180.6584 181.6584 182.2871 185.0536 185.2874 185.8609 186.0003 186.5352 187.2143 187.3323 188.0953 188.4199 188.5265 188.6301 188.7505 188.9012 188.9230 189.1522 189.2062 189.4235 189.4588 189.5184 190.1123 190.5395 191.1334 191.6259 192.0041 192.3096 192.3437 193.1495 193.4788 194.4640 194.5125 195.1369 195.4292 195.5273 195.8195 196.6841 196.9219 198.1027 198.5194 199.7536 201.6140 202.9138 202.9700 203.5486 204.9447 205.1277 205.5139 206.2876 206.3180 206.5656 206.9292 207.2082 208.0519 209.1038 210.1307 222.2889 223.7150 224.1828 227.6614 227.6925 228.5038 228.7809 230.1156 232.6178 233.3020 235.7241 238.6199 240.8003 241.5813 244.5586 246.1399 247.3017 247.9210 250.0485 251.9317 295.9006 298.3038 313.1365 615.7918 619.0031 625.8167 627.1591 630.1283 631.1178 632.0195 632.9362 634.8044 635.1238 635.9306 637.1290 637.5393 642.4758 644.3652 647.2649 647.6493 653.3076 655.7328 717.9336 890.8564 1197.8231 1199.8189 1202.4801 1204.3247 1209.4232 1212.9929 1215.3651 1556.5178 1559.8453 1563.6273 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 Cl F F F O O O O O O O N 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 -0.052523 -0.177875 -0.179605 -0.176829 -0.260300 -0.292906 -0.271414 -0.401633 -0.440442 -0.380396 -0.382389 0.554226 0.080474 0.145699 0.263033 -0.044871 -0.156862 -0.210385 0.400482 0.195102 -0.051488 -0.034169 -0.267790 0.057472 -0.116719 0.384991 -0.193483 -0.128846 0.564185 0.026302 -0.278781 0.110339 0.127558 0.150656 0.158558 0.106869 0.103927 0.105822 0.157320 0.135123 0.155236 0.105959 0.107266 0.084623 0.104998 0.113486 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 Cl F F F O O O O O O O N 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 17.0525 9.1779 9.1796 9.1768 8.2603 8.2929 8.2714 8.4016 8.4404 8.3804 8.3824 6.4458 5.9195 5.8543 5.7370 6.0449 6.1569 6.2104 5.5995 5.8049 6.0515 6.0342 6.2678 5.9425 6.1167 5.6150 6.1935 6.1288 5.4358 5.9737 6.2788 0.8897 0.8724 0.8493 0.8414 0.8931 0.8961 0.8942 0.8427 0.8649 0.8448 0.8940 0.8927 0.9154 0.8950 0.8865 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 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 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 -0.0525 -0.1779 -0.1796 -0.1768 -0.2603 -0.2929 -0.2714 -0.4016 -0.4404 -0.3804 -0.3824 0.5542 0.0805 0.1457 0.2630 -0.0449 -0.1569 -0.2104 0.4005 0.1951 -0.0515 -0.0342 -0.2678 0.0575 -0.1167 0.3850 -0.1935 -0.1288 0.5642 0.0263 -0.2788 0.1103 0.1276 0.1507 0.1586 0.1069 0.1039 0.1058 0.1573 0.1351 0.1552 0.1060 0.1073 0.0846 0.1050 0.1135 1.2614 1.1139 1.1182 1.1289 2.1365 2.1408 2.1328 2.1081 2.0747 1.8660 1.8786 4.0943 3.8124 3.8260 3.7863 3.8768 3.9941 4.0607 4.2535 3.8268 4.0200 3.6703 3.9543 3.9255 3.9795 4.1579 4.0655 3.9497 4.4042 3.8107 3.9133 1.0236 1.0165 1.0078 1.0123 1.0059 1.0111 1.0054 0.9985 1.0268 1.0049 1.0018 1.0126 0.9925 1.0165 1.0142 1.2614 1.1139 1.1182 1.1289 2.1365 2.1408 2.1328 2.1081 2.0747 1.8660 1.8786 4.0943 3.8124 3.8260 3.7863 3.8768 3.9941 4.0607 4.2535 3.8268 4.0200 3.6703 3.9543 3.9255 3.9795 4.1579 4.0655 3.9497 4.4042 3.8107 3.9133 1.0236 1.0165 1.0078 1.0123 1.0059 1.0111 1.0054 0.9985 1.0268 1.0049 1.0018 1.0126 0.9925 1.0165 1.0142 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.0852 1.1215 1.1321 1.1366 0.8842 1.1859 1.0437 0.9219 1.2062 0.8434 1.9948 1.9436 0.1940 1.5202 1.5543 0.9609 1.3639 1.4726 0.8749 0.9480 0.9367 1.0129 1.3361 1.3495 1.3904 0.9517 1.5150 0.9843 1.3098 1.4284 0.9437 1.3858 1.3628 0.9913 0.9914 0.9812 0.9782 1.4125 1.4257 0.9756 0.9779 0.9677 0.9456 0.9862 0.9951 0.9818 0.9894 0.9875 0 23 1 28 2 28 3 28 4 13 4 18 5 14 5 19 6 25 6 29 7 18 8 25 9 10 9 11 10 11 11 15 12 15 12 16 12 18 13 22 13 25 13 31 14 16 14 17 15 20 16 32 17 20 17 33 19 23 19 24 20 34 21 26 21 27 21 28 22 35 22 36 22 37 23 26 24 27 24 38 26 39 27 40 29 30 29 41 29 42 30 43 30 44 30 45 -0.028509083 -2074.292865096460 18.52557 -19.82702 -1.30144 -18.50355 20.84826 2.34471 -1.62864 2.72229 1.09365 2.89612 7.36135