Orca 5.0.4 RELEASE 1 2 3 4 5 15s8p3d2f1g 15s8p3d2f1g 20s14p4d2f1g 15s8p3d2f1g 7s3p2d1f 7s4p3d2f1g 7s4p3d2f1g 9s6p4d2f1g 7s4p3d2f1g 4s3p2d1f 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 N C C C C C C S N C C C C C C O H H H H H H H H H H H H 1 2 2 2 2 2 2 3 1 2 2 2 2 2 2 4 5 5 5 5 5 5 5 5 5 5 5 5 220.20619999999994 AuxInfo=1/0/N:5,13,4,6,12,14,3,7,11,15,2,10,1,9,16,8/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,15.1,16.3/rA:28nNC3C3C3C3C3C3S3NC3C3C3C3C3C3O1HHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s9;s10;s11;s12;s13;s10s14;s8;s1;s3;s4;s5;s6;s7;s9;s11;s12;s13;s14;s15;/rC:.9919,-.8371,1.1893;1.7412,-.0248,.3142;2.7213,-.5999,-.4918;3.4485,.1964,-1.3628;3.2286,1.5644,-1.4246;2.2635,2.1379,-.6097;1.5113,1.3474,.244;-.0788,-2.0025,.5397;-1.0029,-1.1243,-.6003;-1.7972,-.0631,-.1521;-2.6437,-.2312,.9441;-3.4259,.8239,1.3867;-3.4009,2.0478,.7349;-2.5754,2.2088,-.3683;-1.7681,1.1701,-.8013;.7312,-2.8906,-.3059;.5393,-.3306,1.9411;2.9236,-1.6576,-.4197;4.2058,-.2586,-1.9876;3.8096,2.1804,-2.0975;2.0845,3.2045,-.6443;.7363,1.7959,.8543;-.4772,-.9517,-1.4516;-2.7147,-1.1936,1.4347;-4.0768,.6783,2.2388;-4.0233,2.8632,1.077;-2.548,3.1547,-.8932;-1.1033,1.3154,-1.6441; Method DFT(GTOs) Exchange B88 XAlpha 0.666667 XBeta 0.004200 Correlation LYP LDAOpt VWN-5 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.690000 ScalDFX 0.310000 ScalDFC 0.540000 ScalLDAC 0.540000 Perturbative correction 1.000000 Density functional embedding theory OFF NL short-range parameter 12.000000 RI-approximation to the Coulomb term is turned on functions 918 RIJ-COSX (HFX calculated with COS-X)) on IntName C12H12N2OS_sp_orca HFTyp RHF Charge 0 Mult 1 NEL 122 Dim 1285 ENuc 1191.7486442101 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-05 Converg. threshold II (energy diff.) 1.000e-08 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 on SOSCFMaxIt 150 SOSCFStart 0.003300 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 250 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 5.563e-06 Time for diagonalization 0.219 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.213 sec Total time needed 0.438 sec 7 6 6 6 6 6 6 16 7 6 6 6 6 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 220.20619999999994 AuxInfo=1/0/N:5,13,4,6,12,14,3,7,11,15,2,10,1,9,16,8/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,15.1,16.3/rA:28nNC3C3C3C3C3C3S3NC3C3C3C3C3C3O1HHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s9;s10;s11;s12;s13;s10s14;s8;s1;s3;s4;s5;s6;s7;s9;s11;s12;s13;s14;s15;/rC:.9919,-.8371,1.1893;1.7412,-.0248,.3142;2.7213,-.5999,-.4918;3.4485,.1964,-1.3628;3.2286,1.5644,-1.4246;2.2635,2.1379,-.6097;1.5113,1.3474,.244;-.0788,-2.0025,.5397;-1.0029,-1.1243,-.6003;-1.7972,-.0631,-.1521;-2.6437,-.2312,.9441;-3.4259,.8239,1.3867;-3.4009,2.0478,.7349;-2.5754,2.2088,-.3683;-1.7681,1.1701,-.8013;.7312,-2.8906,-.3059;.5393,-.3306,1.9411;2.9236,-1.6576,-.4197;4.2058,-.2585,-1.9876;3.8096,2.1804,-2.0975;2.0845,3.2045,-.6443;.7363,1.7959,.8543;-.4772,-.9517,-1.4516;-2.7147,-1.1936,1.4347;-4.0768,.6783,2.2388;-4.0233,2.8632,1.077;-2.548,3.1547,-.8932;-1.1033,1.3154,-1.6441; 0 1 SP DSD-BLYP D3BJ def2-QZVPP def2-QZVPP/C def2/J TightSCF output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 8 220.20619999999994 AuxInfo=1/0/N:5,13,4,6,12,14,3,7,11,15,2,10,1,9,16,8/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,15.1,16.3/rA:28nNC3C3C3C3C3C3S3NC3C3C3C3C3C3O1HHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2s6;s1;s8;s9;s10;s11;s12;s13;s10s14;s8;s1;s3;s4;s5;s6;s7;s9;s11;s12;s13;s14;s15;/rC:.9919,-.8371,1.1893;1.7412,-.0248,.3142;2.7213,-.5999,-.4918;3.4485,.1964,-1.3628;3.2286,1.5644,-1.4246;2.2635,2.1379,-.6097;1.5113,1.3474,.244;-.0788,-2.0025,.5397;-1.0029,-1.1243,-.6003;-1.7972,-.0631,-.1521;-2.6437,-.2312,.9441;-3.4259,.8239,1.3867;-3.4009,2.0478,.7349;-2.5754,2.2088,-.3683;-1.7681,1.1701,-.8013;.7312,-2.8906,-.3059;.5393,-.3306,1.9411;2.9236,-1.6576,-.4197;4.2058,-.2586,-1.9876;3.8096,2.1804,-2.0975;2.0845,3.2045,-.6443;.7363,1.7959,.8543;-.4772,-.9517,-1.4516;-2.7147,-1.1936,1.4347;-4.0768,.6783,2.2388;-4.0233,2.8632,1.077;-2.548,3.1547,-.8932;-1.1033,1.3154,-1.6441; -1045.29182682 1191.74864421 -2237.04047103 -3795.48734918 1558.44687815 -2088.48100684 1043.18918002 2.00201559 60.999926045574 60.999926045574 121.999852091149 -35.148448201079 -2.313303021174 -37.461751222253 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 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2474.1982 -543.8196 -411.4492 -411.4285 -296.3002 -296.0298 -295.0859 -295.0840 -294.9708 -294.9618 -294.9363 -294.9036 -294.8515 -294.8507 -294.7909 -294.7212 -236.7675 -176.7105 -176.6583 -176.5181 -34.4338 -31.1234 -30.5827 -28.4066 -28.1928 -25.3667 -25.1754 -25.0885 -24.6966 -22.1764 -20.8848 -20.7342 -20.5179 -19.8396 -18.1416 -17.8374 -17.6502 -16.7366 -16.5673 -15.8835 -15.6681 -15.2884 -15.2006 -14.9475 -14.7053 -14.5417 -13.6162 -13.3651 -13.0269 -12.8159 -12.7239 -12.4543 -12.2721 -11.6400 -11.3425 -10.6224 -9.6135 -8.8978 -8.6249 -8.3026 -7.8053 1.2001 1.3813 1.5369 1.6944 1.7318 1.9644 2.3108 2.4406 2.4942 2.7616 2.9017 3.0091 3.3056 3.3715 3.7229 3.9480 4.1119 4.3127 4.4088 4.4958 4.8782 5.0021 5.1585 5.3431 5.5277 5.6495 5.7625 5.8623 6.0097 6.0988 6.1530 6.3826 6.4669 6.5713 6.6917 6.8380 6.9269 7.4504 7.5638 7.6832 7.9194 7.9911 8.2543 8.3561 8.5158 8.6337 8.8540 9.1910 9.2044 9.3066 9.3293 9.4565 9.4999 9.6525 9.7263 9.8120 9.8824 10.0578 10.1522 10.2485 10.3529 10.5130 10.6897 10.7253 10.8554 11.0601 11.3593 11.4366 11.5494 11.5558 11.7631 11.8776 11.9768 12.1209 12.1715 12.2827 12.4911 12.7063 12.7727 12.9225 13.1915 13.4267 13.5841 13.7071 13.8725 13.9090 14.0402 14.2486 14.3945 14.5499 14.6515 14.7783 14.9475 15.1948 15.3008 15.3763 15.7501 15.8683 16.0494 16.1867 16.2948 16.5031 16.6203 16.9117 17.1851 17.3421 17.5379 17.7004 17.9259 18.0822 18.2835 18.3486 18.4685 18.8347 19.1417 19.4356 19.5219 19.6572 19.8400 19.9088 20.1170 20.3228 20.3371 20.5903 20.6770 20.9253 21.1209 21.3854 21.5967 21.6695 21.8655 22.1003 22.3596 22.5134 22.5566 22.6717 22.7591 22.9890 23.0265 23.1820 23.3276 23.4246 23.5964 23.7257 23.9124 24.0906 24.3252 24.4608 24.5622 24.6587 24.9928 25.0252 25.0613 25.2660 25.3441 25.5286 25.8249 26.0213 26.2356 26.3596 26.4767 26.5618 26.7044 26.8357 27.0541 27.2931 27.3634 27.3800 27.4391 27.5919 27.8019 27.8810 27.9094 28.0275 28.1374 28.3314 28.6066 28.7734 28.9168 28.9884 29.1023 29.2476 29.3074 29.5207 29.7170 29.8909 29.9041 30.1455 30.4204 30.5015 30.5849 30.6630 30.7891 31.0052 31.0649 31.2180 31.4230 31.5803 31.7721 31.8108 31.9748 32.0645 32.3448 32.5731 32.8827 33.0327 33.3896 33.5848 33.6237 33.9182 34.0021 34.2466 34.4842 34.6598 34.7982 34.8464 35.0041 35.1513 35.5122 35.6563 35.9627 35.9976 36.1050 36.3414 36.5258 36.7777 36.8856 37.1011 37.2110 37.3020 37.4933 37.8447 38.0542 38.2622 38.4463 39.0090 39.2190 39.2880 39.5589 39.7358 39.9394 40.0919 40.2842 40.8190 40.9145 41.4615 41.7867 41.9040 42.4853 42.7018 42.8572 43.3225 43.7613 43.9358 44.0542 44.2931 44.7517 44.8340 45.1553 45.3994 45.6182 45.7572 45.8883 45.9873 46.1650 46.4174 46.5460 47.0598 47.1024 47.1893 47.4585 47.6218 47.9093 48.0227 48.4727 48.5340 48.6973 48.9151 49.1707 49.4629 49.7710 49.9546 50.1152 50.3288 50.6089 50.7013 50.9149 51.1779 51.4045 51.5663 51.7349 51.9666 52.0704 52.4535 52.7344 52.7936 52.9563 53.0947 53.2971 53.4556 53.6847 53.7902 53.9943 54.2675 54.4905 54.6102 54.6625 54.8585 54.8980 55.1932 55.5172 55.8129 55.9732 56.1890 56.4037 56.6073 56.7290 56.9429 57.0845 57.2676 57.3688 57.5693 57.7084 57.9235 58.0765 58.1706 58.2615 58.4653 58.5811 58.6601 58.8878 59.1359 59.3042 59.3570 59.5839 59.9922 60.0766 60.2864 60.3846 60.5603 60.6769 60.9894 61.2517 61.3586 61.7446 61.8884 61.8959 62.1083 62.1578 62.2554 62.4978 62.6509 62.7971 62.9644 63.2566 63.7365 63.8248 63.9112 64.0557 64.1351 64.4234 64.4497 64.6334 65.0182 65.2082 65.2986 65.4878 65.5832 65.6710 65.8590 66.0065 66.1064 66.3192 66.6029 66.8563 67.0182 67.1816 67.3002 67.5372 67.9475 68.2275 68.3279 68.4204 68.8735 68.9068 69.0789 69.2643 69.4173 69.4884 69.6155 69.6368 70.0372 70.3578 70.5055 70.6882 70.7844 70.9884 71.1788 71.2144 71.4223 71.5838 71.6717 71.9546 72.0409 72.2125 72.3875 72.5964 72.6936 72.8891 73.3032 73.5461 73.6781 73.8106 73.9747 74.0828 74.2006 74.4189 74.5979 74.6806 75.0607 75.1459 75.3329 75.3572 75.5516 75.7367 75.8838 76.0553 76.2644 76.4229 76.4944 76.5325 76.7070 76.9713 77.1401 77.3957 77.5582 77.7071 77.7865 77.8433 78.0417 78.2818 78.3500 78.5531 78.7292 78.8664 79.0033 79.0896 79.3757 79.5153 79.5602 79.6243 80.0362 80.2297 80.2653 80.4762 80.7311 80.9101 81.0968 81.3075 81.3935 81.5485 81.6143 81.8838 82.0379 82.2283 82.3829 82.7680 82.9100 83.3079 83.6916 83.9933 84.2429 84.2733 84.5636 84.9699 85.3110 85.3582 85.7062 85.8579 85.9683 86.1360 86.3954 86.4700 86.9231 87.3719 87.7176 87.9087 88.2295 88.3066 88.5253 88.6773 88.8235 89.5292 89.8029 89.8575 89.9724 90.1994 90.3859 90.9210 91.0140 91.3543 91.5680 91.9183 92.2518 92.3824 92.5682 93.1976 93.3379 93.7848 93.9751 94.2316 94.5221 94.7932 95.0123 95.3020 95.5761 95.7044 95.8694 96.2906 96.7394 96.9735 97.0765 97.3641 97.4747 97.6641 97.9000 98.1030 98.1843 98.5121 98.5562 98.5715 99.1596 99.2950 99.4502 99.5321 99.7432 99.9151 100.0003 100.1021 100.2993 100.5225 100.8177 100.9803 101.2680 101.5415 101.5929 102.0026 102.2432 102.4025 102.7241 102.8900 103.0749 103.3942 103.7758 104.0426 104.2837 104.5045 104.9429 105.2603 105.5064 105.6992 105.9970 106.5587 106.7801 106.9767 107.3385 107.6713 108.2376 108.3433 108.5969 108.9664 109.2075 109.5740 109.8794 110.2652 110.5488 110.6002 110.6626 111.0957 111.2942 112.1256 112.5850 112.6501 112.9786 113.4503 114.0174 114.5210 114.9507 115.3462 115.7760 115.9063 116.5414 116.7889 116.9776 117.0822 117.3405 117.4791 117.8449 117.9654 118.2708 118.6444 118.9909 119.2457 119.4957 119.7482 120.2331 120.7843 121.1395 121.5429 122.0993 122.4115 123.3436 123.4630 123.8387 124.3264 124.5738 125.2301 125.7570 126.1077 126.6529 128.0408 129.1690 129.2655 129.4097 130.1907 130.3662 131.0900 131.3651 131.5767 132.2413 133.3406 133.4872 133.8025 134.0417 134.3026 134.7150 134.8991 135.7588 135.9685 136.1831 136.7183 138.1699 138.5629 138.9116 139.1337 139.5730 140.2027 140.2318 140.5036 140.6513 140.9703 141.2745 141.3867 141.7299 142.2666 143.1566 143.4485 143.5064 143.7460 143.7936 144.2439 144.3380 144.7606 145.3716 145.5420 145.8021 146.2316 146.4071 146.7103 146.9553 147.3579 148.2326 148.3983 148.5502 148.6900 148.9909 149.3703 149.4982 149.6998 149.9559 150.1232 150.3733 150.5713 150.9159 151.5749 151.9355 152.1105 152.2936 152.5190 152.6389 152.9565 153.3196 153.6122 153.7704 153.9714 154.5426 154.8297 155.2504 155.5064 155.6886 156.0867 156.2679 156.4183 156.5204 156.7699 156.9673 157.1910 157.4583 157.7767 158.2843 158.6512 159.0665 159.2542 159.8175 160.0841 160.2115 160.5751 160.6885 160.9196 161.0177 161.5609 161.9370 162.2297 162.3658 162.7499 163.2843 163.7401 163.7811 164.1849 164.4275 164.5666 164.8969 165.1892 165.4169 165.8078 166.0803 166.2441 166.5111 166.5879 166.7256 166.7908 167.0474 167.4253 167.9850 168.2240 168.4326 168.6469 168.8637 168.8887 169.0412 169.1972 169.4889 169.6960 169.7612 169.8296 170.2004 170.3135 170.5692 170.7323 170.9331 171.3645 171.5490 171.6294 171.8886 172.0806 172.2725 172.3110 172.6465 172.8072 172.9552 173.0678 173.1316 173.3805 173.4250 173.4884 173.7147 173.8335 174.2019 174.5849 174.6914 175.3532 175.4761 175.6645 175.7246 175.8655 176.0475 176.2705 176.6617 176.8165 177.0127 177.1336 177.3743 177.5043 177.5359 177.6595 178.0244 178.0750 178.0999 178.5984 178.6751 178.9657 179.0640 179.1751 179.6079 179.8490 179.9727 180.4418 180.5210 180.7881 180.9942 181.1115 181.3605 181.7690 181.8326 182.3571 182.6654 182.8156 183.1245 183.4661 183.5688 183.9542 184.2283 184.3721 184.9198 185.0123 185.0462 185.2245 186.0218 186.1148 186.1509 186.4686 186.6518 186.8240 187.0798 187.1505 187.5566 187.7135 187.7998 188.0628 188.0763 188.3186 188.4045 188.6693 188.9805 189.1862 189.4343 189.4718 189.8418 190.0946 190.4544 190.6153 190.6934 191.0085 191.4627 191.7293 192.0648 192.4150 192.7717 193.0638 193.2121 193.6996 195.1711 195.5391 195.6978 195.7697 196.0578 196.1627 196.3093 196.5192 196.8125 196.9405 197.2053 197.5212 198.0680 198.3786 198.6337 198.9809 199.2656 199.4333 199.5081 199.7086 200.3881 200.4739 200.5907 201.1065 201.4026 201.6378 202.0125 202.1651 202.5051 202.5810 202.9747 203.5863 204.3452 205.1194 205.5132 205.8899 206.0621 206.3150 206.5624 206.9595 207.2007 207.2870 207.7292 208.0468 208.3787 208.6330 209.2151 209.4565 209.5683 209.6180 209.9465 209.9757 210.2039 210.2450 210.4228 210.5589 210.9398 211.2419 211.6022 211.7206 211.9384 212.2828 212.5287 213.1533 213.4777 213.7781 213.8653 214.1363 214.2811 214.6285 214.8892 215.3718 215.4825 216.0019 216.3770 216.4729 216.9456 217.2076 217.3150 217.9924 218.0545 218.5884 218.8948 219.1646 219.2794 219.9259 220.1038 220.7011 220.7759 221.1749 221.5486 221.6631 222.0817 222.1285 222.4281 222.5004 222.8360 223.0249 223.0979 223.2967 223.6672 224.3140 224.6085 225.2778 225.7521 226.0354 226.2680 226.5036 226.9299 227.2391 227.3125 227.3633 227.5304 227.6537 227.8020 227.8997 228.0650 228.3292 228.5752 228.9773 229.4715 229.7348 229.9965 230.2009 230.3685 230.6447 231.3412 231.5021 232.0398 232.2464 232.3676 232.4865 232.8959 233.2024 233.3705 233.5669 233.6456 233.8236 233.9015 234.0401 234.2107 234.3720 234.4974 234.5413 234.8226 234.9924 235.0538 235.3362 235.5845 235.7381 235.9543 236.1612 236.2868 236.4671 236.7578 236.9272 237.3391 237.4944 237.8565 238.1190 238.3970 238.6551 238.8300 239.0800 239.2589 239.7785 240.7379 240.8641 241.4173 241.5242 241.7790 242.1104 242.3970 242.8430 243.0296 243.3442 243.4036 243.5774 243.7597 244.0575 244.8751 245.3818 245.5241 245.6903 245.9081 246.2076 246.9008 247.0637 247.2341 247.6551 248.0632 248.7887 249.0730 249.1445 249.8542 250.2373 250.4672 250.5953 250.7353 251.2225 251.3843 251.5060 251.8721 252.5600 253.1331 253.3890 253.8174 254.2561 254.4488 254.6264 255.0519 255.9301 256.7116 256.8727 258.1166 258.3149 259.2188 260.3513 260.9892 261.1676 261.3675 263.3647 264.5230 265.2643 265.7057 266.2345 266.7386 266.9607 267.4501 267.7175 268.6478 270.2297 270.4118 270.7537 271.1626 271.3189 271.4497 271.9648 272.0523 272.2606 272.4598 272.7053 272.7740 273.3320 273.5944 273.9870 274.6549 274.9370 275.3149 275.8388 276.0375 276.2154 276.5623 276.8108 277.1284 279.0242 279.2535 279.5470 279.9028 280.7657 281.5699 282.8209 282.8982 283.0646 283.3186 284.1984 284.4339 284.6784 285.8219 286.3073 288.5352 289.0513 289.2537 289.3419 290.7432 291.1354 291.1746 291.4481 294.3028 295.0957 296.1749 296.4971 300.6134 300.8242 301.6989 302.0094 302.8960 303.1969 305.7354 305.9128 307.5908 308.4597 310.6390 311.1060 315.8980 316.4777 317.7172 318.5517 323.9594 324.4619 326.7062 326.8302 329.4198 329.7561 332.0241 332.4610 332.8616 333.7751 335.4091 337.9453 338.3345 340.4668 342.2135 347.6121 349.5447 351.6286 352.3354 355.3711 355.7624 359.9650 360.3462 360.5547 367.7075 367.9703 394.2355 413.7995 414.2279 692.9695 775.2089 775.7927 790.2247 790.4664 792.9395 793.1463 802.5776 802.9243 806.3098 806.4354 811.1000 814.9098 815.0983 817.8057 820.5192 1052.3801 1053.7495 1329.0985 2323.3875 4038.3053 4039.0975 4053.0448 4053.2893 4055.5163 4055.7313 4064.1788 4064.5566 4067.9560 4068.1161 4077.2520 4077.4252 5414.0092 5415.6457 6937.9551 12362.2793 -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 N C C C C C C S N C C C C C C O H H H H H H H H H H H H -0.447148 0.175361 -0.085397 -0.095708 -0.119445 -0.115684 -0.084432 0.766427 -0.444501 0.176429 -0.121097 -0.093883 -0.127793 -0.100519 -0.078097 -0.578593 0.178298 0.129616 0.099268 0.091196 0.094714 0.099352 0.194002 0.106572 0.099635 0.092430 0.096484 0.092515 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 N C C C C C C S N C C C C C C O H H H H H H H H H H H H 0.337442 -0.276641 0.078372 0.066745 0.058525 0.060212 0.064414 0.343075 0.352468 -0.285182 0.053766 0.063103 0.055347 0.063791 0.069076 -0.120404 -0.205116 -0.054689 -0.057262 -0.061669 -0.059499 -0.056883 -0.191935 -0.063010 -0.056805 -0.062698 -0.057137 -0.057405 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 N C C C C C C S N C C C C C C O H H H H H H H H H H H H 7.4471 5.8246 6.0854 6.0957 6.1194 6.1157 6.0844 15.2336 7.4445 5.8236 6.1211 6.0939 6.1278 6.1005 6.0781 8.5786 0.8217 0.8704 0.9007 0.9088 0.9053 0.9006 0.8060 0.8934 0.9004 0.9076 0.9035 0.9075 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 16.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 8.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.4471 0.1754 -0.0854 -0.0957 -0.1194 -0.1157 -0.0844 0.7664 -0.4445 0.1764 -0.1211 -0.0939 -0.1278 -0.1005 -0.0781 -0.5786 0.1783 0.1296 0.0993 0.0912 0.0947 0.0994 0.1940 0.1066 0.0996 0.0924 0.0965 0.0925 2.8631 3.6398 3.7552 3.7860 3.8269 3.8356 3.7284 3.8082 2.9105 3.6745 3.7656 3.8022 3.8353 3.8245 3.7251 1.8655 1.0196 0.9884 0.9843 0.9897 0.9856 0.9806 1.0236 0.9915 0.9840 0.9906 0.9856 0.9892 2.8631 3.6398 3.7552 3.7860 3.8269 3.8356 3.7284 3.8082 2.9105 3.6745 3.7656 3.8022 3.8353 3.8245 3.7251 1.8655 1.0196 0.9884 0.9843 0.9897 0.9856 0.9806 1.0236 0.9915 0.9840 0.9906 0.9856 0.9892 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.9240 0.9446 0.9624 1.3260 1.2952 1.3460 0.9640 1.3561 0.9815 1.3657 0.9845 1.3685 0.9805 0.9714 0.9450 1.7884 0.9672 0.9562 1.3140 1.2846 1.3562 0.9706 1.3658 0.9801 1.3641 0.9826 1.3604 0.9805 0.9776 0 1 0 7 0 16 1 2 1 6 2 3 2 17 3 4 3 18 4 5 4 19 5 6 5 20 6 21 7 8 7 15 8 9 8 22 9 10 9 14 10 11 10 23 11 12 11 24 12 13 12 25 13 14 13 26 14 27 -1046.727874103 -0.025688909 -1046.753563011491 -0.59133 0.14787 -0.44346 10.13642 -8.55594 1.58048 -1.51031 1.79568 0.28537 1.66614 4.23499