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 47 48 49 50 51 Cl O O N 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 H H H H H H 1 2 2 3 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 5 5 5 5 5 5 359.7005999999997 AuxInfo=1/0/N:8,9,10,19,20,13,14,25,27,11,12,15,16,24,22,17,23,7,18,26,21,6,1,5,4,3,2/E:(1,2,3)(4,5)(6,7)(10,11)(12,13)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.2,26.1/rA:52nClOO1NN2CC3CCCCCC3C3CCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s6;s6;s4;s4;s7;s7;s2s11;s2s12;;s17;s13s17;s14s17;s3s4;s18s21;s18;s23;s23;s1s5s24;s5s25;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s14;s15;s15;s16;s16;s19;s20;s22;s24;s25;s27;/rC:-3.1173,-3.8096,.1784;-4.7958,2.55,-.7156;-2.2523,.5433,2.8053;-2.8535,1.0862,.6926;-1.8156,-2.8007,-1.8316;5.9468,.7308,-.2468;4.4394,.6186,-.0513;6.662,-.0467,.8658;6.4317,2.1798,-.2055;6.3231,.1394,-1.6118;-2.5749,1.5806,-.6385;-4.2659,.8626,.9365;3.6134,1.723,.1304;3.8278,-.6368,-.0622;-3.4328,2.808,-.9142;-5.0523,2.1166,.5971;1.6427,.3289,.2895;.1877,.1715,.4857;2.2435,1.5828,.2945;2.4634,-.7832,.0976;-1.9443,.844,1.6679;-.4918,.9541,1.3338;-.4903,-.8785,-.3059;-1.3718,-1.7752,.2821;-.2677,-.9896,-1.679;-2.0014,-2.7011,-.5401;-.9554,-1.9555,-2.3882;7.7447,.0192,.7419;6.398,-1.1047,.8637;6.412,.3534,1.8493;5.9832,2.7857,-.9947;7.5124,2.2115,-.3502;6.2203,2.657,.7529;7.3997,.2144,-1.7766;5.822,.6709,-2.4221;6.0539,-.9142,-1.6929;-1.5239,1.8459,-.7342;-2.7909,.8001,-1.3769;-4.6049,.0255,.3151;-4.4135,.5887,1.9786;4.0277,2.7214,.1361;4.4273,-1.5285,-.1972;-3.3095,3.1213,-1.9524;-3.0919,3.6337,-.2706;-4.805,2.9049,1.3235;-6.1231,1.9199,.6682;1.6327,2.4703,.4057;2.0326,-1.7765,.0881;.0546,1.6505,1.96;-1.5593,-1.7667,1.3468;.423,-.3283,-2.1846;-.8123,-2.0592,-3.4574; 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 1600 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 204 Dim 1198 ENuc 2587.0918841894 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 5.598e-06 Time for diagonalization 0.495 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.236 sec Total time needed 0.737 sec 17 8 8 7 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 1 1 1 1 1 1 359.7005999999997 AuxInfo=1/0/N:8,9,10,19,20,13,14,25,27,11,12,15,16,24,22,17,23,7,18,26,21,6,1,5,4,3,2/E:(1,2,3)(4,5)(6,7)(10,11)(12,13)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.2,26.1/rA:52nClOO1NN2CC3CCCCCC3C3CCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s6;s6;s4;s4;s7;s7;s2s11;s2s12;;s17;s13s17;s14s17;s3s4;s18s21;s18;s23;s23;s1s5s24;s5s25;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s14;s15;s15;s16;s16;s19;s20;s22;s24;s25;s27;/rC:-3.1173,-3.8096,.1784;-4.7958,2.55,-.7156;-2.2523,.5433,2.8053;-2.8535,1.0862,.6926;-1.8156,-2.8007,-1.8316;5.9468,.7308,-.2468;4.4394,.6186,-.0513;6.662,-.0467,.8658;6.4317,2.1798,-.2055;6.3231,.1394,-1.6118;-2.5749,1.5806,-.6385;-4.2659,.8626,.9365;3.6134,1.723,.1304;3.8278,-.6368,-.0622;-3.4328,2.808,-.9142;-5.0523,2.1166,.5971;1.6427,.3289,.2895;.1877,.1715,.4857;2.2435,1.5828,.2945;2.4634,-.7832,.0976;-1.9443,.844,1.6679;-.4918,.9541,1.3338;-.4903,-.8785,-.3059;-1.3718,-1.7752,.2821;-.2677,-.9896,-1.679;-2.0014,-2.7011,-.5401;-.9554,-1.9555,-2.3882;7.7447,.0192,.7419;6.398,-1.1047,.8637;6.412,.3534,1.8493;5.9832,2.7857,-.9947;7.5124,2.2115,-.3502;6.2203,2.657,.7529;7.3997,.2144,-1.7766;5.822,.6709,-2.4221;6.0539,-.9142,-1.6929;-1.5239,1.8459,-.7342;-2.7909,.8001,-1.3769;-4.6049,.0255,.3151;-4.4135,.5887,1.9786;4.0277,2.7214,.1361;4.4273,-1.5285,-.1972;-3.3095,3.1213,-1.9524;-3.0919,3.6337,-.2706;-4.805,2.9049,1.3235;-6.1231,1.9199,.6682;1.6327,2.4703,.4057;2.0326,-1.7765,.0881;.0546,1.6505,1.96;-1.5593,-1.7667,1.3468;.423,-.3283,-2.1846;-.8123,-2.0592,-3.4574; 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 4 359.7005999999997 AuxInfo=1/0/N:8,9,10,19,20,13,14,25,27,11,12,15,16,24,22,17,23,7,18,26,21,6,1,5,4,3,2/E:(1,2,3)(4,5)(6,7)(10,11)(12,13)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.2,26.1/rA:52nClOO1NN2CC3CCCCCC3C3CCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s6;s6;s4;s4;s7;s7;s2s11;s2s12;;s17;s13s17;s14s17;s3s4;s18s21;s18;s23;s23;s1s5s24;s5s25;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s12;s12;s13;s14;s15;s15;s16;s16;s19;s20;s22;s24;s25;s27;/rC:-3.1173,-3.8096,.1784;-4.7958,2.55,-.7156;-2.2523,.5433,2.8053;-2.8535,1.0862,.6926;-1.8156,-2.8007,-1.8316;5.9468,.7308,-.2468;4.4394,.6186,-.0513;6.662,-.0467,.8658;6.4317,2.1798,-.2055;6.3231,.1394,-1.6118;-2.5749,1.5806,-.6385;-4.2659,.8626,.9365;3.6134,1.723,.1304;3.8278,-.6368,-.0622;-3.4328,2.808,-.9142;-5.0523,2.1166,.5971;1.6427,.3289,.2895;.1877,.1715,.4857;2.2435,1.5828,.2945;2.4634,-.7832,.0976;-1.9443,.844,1.6679;-.4918,.9541,1.3338;-.4903,-.8785,-.3059;-1.3718,-1.7752,.2821;-.2677,-.9896,-1.679;-2.0014,-2.7011,-.5401;-.9554,-1.9555,-2.3882;7.7447,.0192,.7419;6.398,-1.1047,.8637;6.412,.3534,1.8493;5.9832,2.7857,-.9947;7.5124,2.2115,-.3502;6.2203,2.657,.7529;7.3997,.2144,-1.7766;5.822,.6709,-2.4221;6.0539,-.9142,-1.6929;-1.5239,1.8459,-.7342;-2.7909,.8001,-1.3769;-4.6049,.0255,.3151;-4.4135,.5887,1.9786;4.0277,2.7214,.1361;4.4273,-1.5285,-.1972;-3.3095,3.1213,-1.9524;-3.0919,3.6337,-.2706;-4.805,2.9049,1.3235;-6.1231,1.9199,.6682;1.6327,2.4703,.4057;2.0326,-1.7765,.0881;.0546,1.6505,1.96;-1.5593,-1.7667,1.3468;.423,-.3283,-2.1846;-.8123,-2.0592,-3.4574; -1573.64439404 2587.09188419 -4160.73627823 -7289.90437839 3129.16810016 -3141.71405761 1568.06966357 2.00355515 102.000078232645 102.000078232645 204.000156465290 -130.930470596590 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 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.1788 -523.7172 -522.3558 -393.4996 -392.8321 -282.6250 -282.4745 -281.2126 -281.1192 -281.0889 -281.0007 -280.8908 -280.7937 -280.5927 -280.4223 -280.4170 -280.3632 -280.3285 -280.2953 -280.2380 -280.0876 -280.0665 -279.9657 -279.9607 -279.5123 -279.5116 -279.4919 -260.4593 -199.2929 -199.0631 -199.0459 -32.0781 -31.6338 -29.9593 -29.0111 -27.4377 -26.7497 -26.5867 -25.7953 -24.8880 -24.6695 -23.9124 -23.8537 -23.5873 -22.8979 -22.0951 -22.0495 -21.6054 -21.2778 -20.5787 -20.2933 -19.9445 -19.6805 -18.8142 -18.2585 -18.1910 -17.5864 -17.1820 -16.7097 -16.2843 -16.1782 -16.0881 -16.0367 -15.8297 -15.7510 -15.7145 -15.4145 -15.2261 -15.0637 -14.8411 -14.7960 -14.6894 -14.5593 -14.3667 -14.2099 -13.9632 -13.7920 -13.7745 -13.3117 -13.1580 -13.1399 -12.9476 -12.9392 -12.7899 -12.7563 -12.5174 -12.3846 -12.1220 -11.9125 -11.6268 -11.4717 -11.4021 -11.3234 -11.1811 -10.4411 -10.3318 -10.2412 -9.7297 -9.6617 -9.5142 -9.0356 -8.7308 0.0633 0.8787 0.9929 1.5421 2.4572 2.7334 2.8859 3.2381 3.2976 3.5430 3.6566 3.7272 3.8610 4.0509 4.1490 4.2522 4.3255 4.3955 4.5486 4.6506 4.7522 4.8487 4.8871 4.9796 5.1041 5.2093 5.3994 5.4909 5.6233 5.6923 5.7653 5.8594 5.9256 6.1075 6.2075 6.3110 6.3772 6.4300 6.5235 6.5650 6.5829 6.7400 6.8249 7.0357 7.1456 7.2279 7.5001 7.5603 7.6331 7.7528 7.8917 7.9437 8.0133 8.0806 8.2560 8.3859 8.5262 8.6631 8.8421 8.9808 9.1199 9.2608 9.3161 9.4255 9.4757 9.6797 9.7570 9.8114 9.8423 9.9767 10.0613 10.1607 10.4044 10.5049 10.5848 10.7066 10.7857 10.8527 10.8947 11.0501 11.1234 11.2324 11.3130 11.4750 11.5187 11.5659 11.6956 11.7265 11.8411 11.9524 12.0379 12.1148 12.1798 12.3111 12.3675 12.4305 12.5293 12.7182 12.8326 12.9184 13.0172 13.0819 13.1568 13.2092 13.2833 13.3833 13.4409 13.5193 13.6225 13.6950 13.7560 13.9436 14.0099 14.0601 14.1050 14.2028 14.2367 14.2580 14.3052 14.3759 14.4580 14.5026 14.5988 14.6870 14.7724 14.9584 14.9882 15.0956 15.1357 15.1962 15.3430 15.4320 15.6844 15.7145 15.7389 15.8535 15.9836 16.1572 16.3415 16.4594 16.5717 16.5870 16.6144 16.8432 16.8801 16.9518 17.1066 17.2618 17.3263 17.4064 17.5386 17.7624 17.8737 17.9778 18.1626 18.2379 18.3644 18.4035 18.6098 18.6693 18.9428 19.0916 19.1398 19.4559 19.5302 19.6910 19.8898 19.9307 20.0103 20.0577 20.1737 20.2347 20.3791 20.4720 20.6731 20.8191 20.9081 21.0832 21.2448 21.4080 21.4457 21.5548 21.5947 21.7457 21.8964 22.0014 22.0889 22.1634 22.4565 22.5653 22.6161 22.6955 22.9424 23.0563 23.1484 23.2999 23.3931 23.4497 23.7466 23.8922 24.0102 24.0703 24.2938 24.4740 24.5925 24.7212 24.8355 24.9282 25.0061 25.0719 25.1571 25.3254 25.5377 25.7573 25.8654 26.0956 26.2137 26.3285 26.4364 26.6433 26.8902 26.9774 27.1562 27.2812 27.3689 27.5004 27.5905 27.7497 27.8561 27.9706 28.2058 28.3314 28.4822 28.5718 28.6742 28.7560 28.8420 28.9820 29.2253 29.2422 29.3765 29.5658 29.6560 29.7236 29.8309 29.9934 30.0601 30.1025 30.2681 30.4457 30.6341 30.7999 30.8460 31.1833 31.2542 31.3253 31.4825 31.6232 31.6969 31.7858 32.0663 32.1958 32.3451 32.3726 32.4694 32.7266 32.8444 32.9090 33.0920 33.1678 33.3319 33.4526 33.5545 33.6517 33.7276 33.9629 34.0206 34.2055 34.2644 34.4847 34.6232 34.7319 34.8445 35.0233 35.1730 35.3161 35.4520 35.5205 35.6605 35.7334 36.0315 36.1669 36.2767 36.4275 36.5806 36.6822 36.7848 37.0770 37.2386 37.3276 37.4493 37.5888 37.6709 37.8592 37.9295 38.0789 38.1583 38.2361 38.2883 38.4590 38.5862 38.8187 38.9100 39.1348 39.2416 39.5232 39.6486 39.7343 39.9546 40.0619 40.0989 40.2611 40.3364 40.5545 40.6670 40.7949 40.9378 40.9653 41.0890 41.3316 41.3884 41.5257 41.6525 41.8965 42.0003 42.1999 42.2714 42.4126 42.5061 42.6856 42.7528 42.8331 42.8969 43.0384 43.0908 43.2249 43.3387 43.6082 43.7733 43.8053 43.8836 43.9809 44.0873 44.1785 44.2701 44.2770 44.4141 44.5660 44.7328 44.9265 44.9591 45.0819 45.1333 45.3516 45.5005 45.5735 45.6788 45.7985 46.0032 46.2654 46.4070 46.5192 46.5903 46.7317 46.8367 46.9461 47.1493 47.1842 47.2839 47.4737 47.8828 48.0541 48.1408 48.3498 48.4885 48.6189 48.7063 48.9627 49.4982 49.6070 49.7046 49.9055 50.2176 50.3441 50.3785 50.5359 50.6693 50.7657 50.8784 50.9728 51.0489 51.2487 51.3913 51.5363 51.7054 52.0244 52.1870 52.3705 52.4414 52.5925 52.6731 52.8269 53.0237 53.1715 53.4238 53.6772 53.9418 54.1477 54.6930 54.8537 55.0593 55.3544 55.5069 55.6474 55.9575 55.9965 56.2661 56.4028 56.8112 56.9082 57.2560 57.3634 57.6377 57.9337 58.1354 58.2688 58.3980 58.4085 58.6997 58.8110 58.8803 59.0866 59.3523 59.5406 59.7011 59.7835 60.0401 60.0847 60.2938 60.4824 60.6349 60.8368 60.9788 61.4202 61.6502 61.8132 61.9539 62.1343 62.2892 62.5912 62.8403 63.0977 63.1409 63.3007 63.4955 63.5893 63.6149 63.8985 64.1183 64.1725 64.3584 64.5388 64.6224 65.3338 65.6886 65.8718 66.3947 66.4357 66.6262 66.7395 66.9365 67.0904 67.4792 67.5415 67.8618 67.9736 68.1735 68.4569 68.7505 68.8597 68.9485 69.0846 69.4505 69.8835 69.9939 70.2708 70.5793 70.7394 70.9444 71.3985 71.4979 71.8253 72.0427 72.2839 72.4072 72.4713 72.6571 72.8953 73.3064 73.3162 73.5958 73.8325 74.2206 74.3806 74.5817 74.8196 74.9805 75.1919 75.5402 75.8731 75.9755 76.1654 76.4148 76.4980 76.5879 76.9234 77.0205 77.1901 77.2373 77.3135 77.5196 77.6111 77.8314 77.9234 78.0707 78.4016 78.5154 78.6830 78.7005 78.8906 78.9395 79.0596 79.0994 79.3344 79.4896 79.5568 79.6298 79.8812 80.0755 80.1510 80.1895 80.4489 80.5643 80.6943 80.9145 81.0292 81.1905 81.3500 81.3919 81.4917 81.7194 81.8437 82.0191 82.1032 82.1428 82.3019 82.4403 82.8069 82.8725 82.9390 83.1867 83.4058 83.4998 83.6624 83.7131 83.8538 83.9178 83.9716 84.1985 84.3378 84.3475 84.6171 84.7377 84.8032 84.8889 85.0856 85.2098 85.2620 85.4311 85.4740 85.5193 85.7765 85.9241 85.9832 86.0670 86.3281 86.3682 86.5323 86.5851 86.6261 86.6734 86.9238 87.0086 87.1552 87.2848 87.3538 87.3750 87.5743 87.6234 87.7671 87.8722 88.1193 88.2469 88.3148 88.5317 88.5997 88.7990 88.8563 88.9539 89.0525 89.2285 89.3801 89.5186 89.5858 89.6506 89.8967 89.9542 90.0286 90.2415 90.3520 90.4262 90.4700 90.6464 90.7394 90.9030 91.1558 91.2096 91.4109 91.5812 91.7218 91.7354 91.8639 92.0967 92.1633 92.3743 92.5088 92.5864 92.7300 92.8109 92.9976 93.0288 93.0868 93.2499 93.3117 93.4093 93.5525 93.6682 93.7188 93.8281 94.0093 94.1256 94.1492 94.2965 94.4431 94.5026 94.7269 94.8686 94.9103 94.9609 95.2246 95.4992 95.5531 95.6567 95.8485 95.9544 96.0276 96.1409 96.3339 96.4579 96.5801 96.7348 96.8396 96.9681 97.2343 97.3164 97.6211 97.7735 97.9521 98.0665 98.1890 98.3767 98.5979 98.6634 98.9533 99.0423 99.1750 99.2206 99.3199 99.4700 99.5458 99.5768 99.9162 100.0829 100.1582 100.3109 100.3885 100.5235 100.7095 100.9864 101.0139 101.2257 101.3033 101.6804 101.8603 101.9226 101.9873 102.1811 102.1923 102.3622 102.4704 102.7325 102.8007 102.9658 103.0571 103.2613 103.4052 103.4317 103.6068 103.6888 103.9025 103.9472 104.0780 104.2724 104.3712 104.6207 104.6877 104.8688 104.9248 105.0987 105.3224 105.3943 105.5983 105.6920 105.7325 105.9935 106.1871 106.2537 106.3542 106.4662 106.7385 106.7870 107.0336 107.2072 107.3123 107.4588 107.5808 107.7337 107.9835 108.1802 108.4201 108.4977 108.6520 108.8743 108.9645 109.1431 109.1699 109.2237 109.5002 109.6115 109.7594 110.0201 110.1351 110.3216 110.5718 110.7880 110.9193 111.0619 111.2996 111.4945 111.7026 111.7984 111.9113 112.0306 112.1408 112.2399 112.4054 112.5917 112.7628 112.8684 113.2132 113.2913 113.3443 113.7099 113.8204 113.8636 114.1008 114.2967 114.4595 114.6590 114.7672 114.8957 115.1575 115.1965 115.3330 115.4708 115.5567 115.7743 115.8038 115.9259 115.9872 116.0448 116.1169 116.3196 116.4043 116.5159 116.6848 116.9105 116.9597 117.0577 117.2099 117.3213 117.3654 117.4964 117.5021 117.8100 117.8292 118.1504 118.2295 118.2802 118.4124 118.4326 118.7415 118.9192 119.2129 119.2631 119.4487 119.5594 119.9400 120.1965 120.2187 120.3686 120.4577 120.6890 120.8120 120.9881 121.2584 121.4064 121.5452 121.6743 121.8574 121.9471 122.2059 122.3293 122.5550 122.7691 122.8622 123.0014 123.2180 123.4093 123.4655 123.6384 124.0892 124.2472 124.4246 124.5332 124.5938 124.7346 124.8016 125.1956 125.2235 125.3438 125.9455 126.0346 126.6419 126.9830 127.1063 127.4587 127.5120 127.7071 128.0155 128.3074 128.3896 128.6266 128.8439 129.1304 129.2000 129.3022 129.4046 129.7662 130.0872 130.3087 130.3586 130.5334 130.7971 130.8327 131.2603 131.5751 131.6817 131.7385 131.8576 132.1142 132.3204 132.4977 132.6124 132.7789 132.9750 133.1861 133.2634 133.4390 133.6423 133.7279 133.8363 134.0836 134.1768 134.3442 134.4474 134.8549 134.9596 135.1500 135.2123 135.6312 135.9412 135.9605 136.2121 136.4145 136.7489 137.2461 137.5593 137.7116 138.2073 138.3344 138.5754 138.7696 138.9350 139.3555 139.5922 140.0119 140.0645 140.2843 140.5411 140.7171 140.9157 141.0288 141.3495 141.5411 141.6161 141.6724 141.9843 142.1119 142.1845 142.5694 142.8138 143.0164 143.0998 143.7481 143.9566 144.4147 144.6186 144.9041 145.0242 145.2305 145.3525 145.5356 145.6668 145.6958 146.2428 146.4883 146.5503 146.7912 147.5090 147.6711 147.8874 148.1678 148.2904 148.3957 148.5797 148.7426 148.7573 148.9616 149.1510 149.1966 149.5416 149.6341 149.7393 149.8074 150.1877 150.5151 150.6067 150.7040 151.1265 151.4393 151.5235 151.5637 151.7001 151.8934 151.9905 152.3509 152.5361 152.7105 153.0561 153.7067 153.8281 154.0205 154.3595 154.7461 154.7644 155.3402 155.5866 155.7875 156.4750 156.5178 156.6482 157.0349 157.3501 157.8979 158.0083 158.0947 158.1655 158.8612 158.8817 159.0850 159.3729 159.8351 159.8852 159.9995 160.1412 160.5004 160.8814 161.7952 162.1956 162.7909 163.3325 163.9761 164.3030 164.7288 165.4436 165.7175 167.1072 167.2722 167.6955 168.3130 169.2457 171.0739 171.8297 173.0642 175.8056 177.8512 178.6423 178.9785 180.7505 181.9602 184.3769 186.8382 188.2555 189.9445 191.1151 193.9659 196.5088 197.8902 202.4011 204.3888 221.9762 223.1866 223.7002 227.0594 229.2108 295.2038 297.0791 312.4119 621.0341 621.5914 624.8875 627.0904 629.2758 633.7113 635.0273 635.7791 636.3703 637.4052 638.0764 638.9000 640.3095 640.9676 641.3492 643.8328 644.7468 645.7225 648.2116 648.4647 651.5974 659.1540 710.2310 888.9756 904.4097 1200.4737 1207.4627 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 47 48 49 50 51 Cl O O N 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 H H H H H H -0.060889 -0.312669 -0.388892 -0.090110 -0.256188 0.247425 -0.054632 -0.291006 -0.335869 -0.290390 -0.104298 -0.069206 -0.137253 -0.140154 0.013990 0.014266 0.020041 0.103624 -0.156726 -0.194185 0.178270 -0.076140 0.007051 -0.206468 -0.165270 0.192128 0.012088 0.088477 0.088540 0.101507 0.094844 0.092431 0.097131 0.089101 0.098637 0.088647 0.102194 0.097908 0.092387 0.106082 0.119570 0.110243 0.086436 0.066849 0.071435 0.087707 0.122981 0.133394 0.108488 0.141111 0.132521 0.122843 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 Cl O O N 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 H H H H H H 17.0609 8.3127 8.3889 7.0901 7.2562 5.7526 6.0546 6.2910 6.3359 6.2904 6.1043 6.0692 6.1373 6.1402 5.9860 5.9857 5.9800 5.8964 6.1567 6.1942 5.8217 6.0761 5.9929 6.2065 6.1653 5.8079 5.9879 0.9115 0.9115 0.8985 0.9052 0.9076 0.9029 0.9109 0.9014 0.9114 0.8978 0.9021 0.9076 0.8939 0.8804 0.8898 0.9136 0.9332 0.9286 0.9123 0.8770 0.8666 0.8915 0.8589 0.8675 0.8772 17.0000 8.0000 8.0000 7.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0609 -0.3127 -0.3889 -0.0901 -0.2562 0.2474 -0.0546 -0.2910 -0.3359 -0.2904 -0.1043 -0.0692 -0.1373 -0.1402 0.0140 0.0143 0.0200 0.1036 -0.1567 -0.1942 0.1783 -0.0761 0.0071 -0.2065 -0.1653 0.1921 0.0121 0.0885 0.0885 0.1015 0.0948 0.0924 0.0971 0.0891 0.0986 0.0886 0.1022 0.0979 0.0924 0.1061 0.1196 0.1102 0.0864 0.0668 0.0714 0.0877 0.1230 0.1334 0.1085 0.1411 0.1325 0.1228 1.2385 1.9999 2.1189 3.0667 3.0705 3.7723 3.7865 3.9233 3.9306 3.9223 3.8849 3.8257 3.9912 4.0498 4.0185 3.9786 3.5761 3.3750 4.0611 4.0750 4.2772 3.8000 3.6020 3.9447 3.8757 4.1700 4.0561 1.0061 1.0077 1.0059 1.0024 1.0120 1.0023 1.0065 1.0060 1.0076 1.0023 0.9978 1.0095 1.0453 1.0077 1.0120 0.9982 1.0064 1.0038 0.9992 1.0082 1.0019 1.0217 1.0344 1.0045 1.0016 1.2385 1.9999 2.1189 3.0667 3.0705 3.7723 3.7865 3.9233 3.9306 3.9223 3.8849 3.8257 3.9912 4.0498 4.0185 3.9786 3.5761 3.3750 4.0611 4.0750 4.2772 3.8000 3.6020 3.9447 3.8757 4.1700 4.0561 1.0061 1.0077 1.0059 1.0024 1.0120 1.0023 1.0065 1.0060 1.0076 1.0023 0.9978 1.0095 1.0453 1.0077 1.0120 0.9982 1.0064 1.0038 0.9992 1.0082 1.0019 1.0217 1.0344 1.0045 1.0016 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1282 0.9982 0.9832 1.9687 0.9147 0.8788 1.2402 1.5105 1.4554 0.9427 0.9427 0.9086 0.9413 1.3684 1.3664 0.9894 0.9846 0.9882 0.9982 0.9946 0.9984 0.9892 0.9885 0.9848 0.9584 0.9825 0.9767 0.9499 0.9848 0.9886 1.5226 0.9527 1.5571 0.9563 0.9829 1.0172 0.9994 0.9853 0.8809 1.3903 1.3377 1.7867 0.8249 0.9643 0.9741 1.0035 0.9985 1.4116 1.3318 1.4192 0.9579 1.4557 0.9890 0.9981 0 25 1 14 1 15 2 20 3 10 3 11 3 20 4 25 4 26 5 6 5 7 5 8 5 9 6 12 6 13 7 27 7 28 7 29 8 30 8 31 8 32 9 33 9 34 9 35 10 14 10 36 10 37 11 15 11 38 11 39 12 18 12 40 13 19 13 41 14 42 14 43 15 44 15 45 16 17 16 18 16 19 17 21 17 22 18 46 19 47 20 21 21 48 22 23 22 24 23 25 23 49 24 26 24 50 26 51 -0.028823614 -1573.673217656038 40.62148 -39.01869 1.60279 25.29050 -24.02748 1.26302 -4.81860 3.92870 -0.88989 2.22622 5.65861