Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 5s2p1d 11s6p2d1f 7s7p6d2f1g 5s3p2d1f 3s2p1d 5s3p2d1f 6s4p3d2f1g 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 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag 1 1 1 1 1 1 1 2 2 2 1 1 2 2 3 3 3 3 3 2 1 2 2 1 2 1 2 2 2 1 2 2 2 1 2 1 1 2 2 2 1 2 2 2 1 2 1 1 2 2 2 1 2 2 2 2 4 1 Ag ECP Def2-ECP 56 Ag 1 440.0898999999999 AuxInfo=1/0/N:37,41,48,52,26,30,34,7,45,21,12,36,47,24,4,11,2,3,5,1,6,15,16,17,18,19;57/E:(1,2)(3,4)(5,6);/CRV:7.3,9.3,12.3,13.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1;/rA:57C3C3C3CC3CCHHHC3CHHOO1O1O1OHCHHCHCHHHCHHHCHCCHHHCHHHCHCCHHHCHHHHAg/rB:s1;s2;s3;s4;s1s5;s4;s7;s7;s4;s2;s11;s12;s12;s11;s3;s5;s1;s6;s19;s6;s21;s21;s12;s24;s24;s26;s26;s26;s24;s30;s30;s30;s7;s34;s34;s36;s37;s37;s37;s36;s41;s41;s41;s21;s45;s45;s47;s48;s48;s48;s47;s52;s52;s52;s15;s34s36s45s47;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Method Hartree-Fock(GTOs) IntName Humulone_transKeto_Neutral_Iso1_7 HFTyp RHF Charge 1 Mult 1 NEL 214 Dim 1282 ENuc 3074.5723775393 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) 2.000e-06 Converg. threshold II (energy diff.) 1.000e-09 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 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 1 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolErr 1.000e-08 Smallest eigenvalue 8.206e-06 Time for diagonalization 0.222 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.172 sec Total time needed 0.399 sec 1 1 DLPNO-CCSD(T) def2-TZVPP def2-TZVPP/C VeryTightSCF maxcore 8192 pal nprocs 8 440.0898999999999 AuxInfo=1/0/N:37,41,48,52,26,30,34,7,45,21,12,36,47,24,4,11,2,3,5,1,6,15,16,17,18,19;57/E:(1,2)(3,4)(5,6);/CRV:7.3,9.3,12.3,13.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1;/rA:57C3C3C3CC3CCHHHC3CHHOO1O1O1OHCHHCHCHHHCHHHCHCCHHHCHHHCHCCHHHCHHHHAg/rB:s1;s2;s3;s4;s1s5;s4;s7;s7;s4;s2;s11;s12;s12;s11;s3;s5;s1;s6;s19;s6;s21;s21;s12;s24;s24;s26;s26;s26;s24;s30;s30;s30;s7;s34;s34;s36;s37;s37;s37;s36;s41;s41;s41;s21;s45;s45;s47;s48;s48;s48;s47;s52;s52;s52;s15;s34s36s45s47;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1333.37681526 3074.57237754 -4407.94919280 -7976.20184800 3568.25265520 -2576.39613592 1243.01932065 2.07269195 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -564.0069 -562.8367 -562.8295 -562.4579 -562.3309 -312.4905 -312.4279 -312.0268 -311.8294 -311.0420 -310.5959 -310.2462 -310.0325 -309.9671 -309.5750 -309.4097 -309.2447 -309.1862 -309.0433 -309.0019 -308.9064 -308.5824 -308.4708 -308.1662 -307.3293 -307.2487 -122.6610 -80.6118 -80.5773 -80.5280 -42.9558 -41.9815 -41.5228 -41.4904 -40.2327 -34.5880 -34.2883 -33.8853 -32.9390 -32.3280 -31.8794 -30.4743 -29.6331 -29.6208 -29.4860 -29.2559 -27.8357 -27.6458 -27.3186 -26.3498 -25.7128 -25.3028 -24.0042 -23.7563 -23.5356 -23.4419 -22.8899 -22.2728 -21.9466 -21.6408 -21.2577 -21.2284 -20.9235 -20.8337 -20.5191 -20.4704 -20.2825 -20.0450 -19.9963 -19.8717 -19.6760 -19.5644 -19.1479 -19.0597 -18.8665 -18.8391 -18.7616 -18.6687 -18.5889 -18.4648 -18.3365 -18.2434 -18.1506 -18.1144 -18.0108 -17.9642 -17.9417 -17.9158 -17.7647 -17.6107 -17.3382 -17.3204 -17.0844 -17.0336 -16.9279 -16.6197 -16.5278 -16.2557 -15.6094 -15.2789 -15.1717 -15.0290 -14.7182 -14.4633 -13.7289 -13.3943 -13.1544 -1.6812 -1.4032 -0.7333 -0.6014 -0.1016 0.2385 0.3728 0.6160 0.7367 1.2180 1.5312 1.5917 1.6306 1.9226 2.0966 2.2365 2.4046 2.4138 2.5328 2.7547 2.8100 2.9251 3.0086 3.0941 3.2034 3.2908 3.4202 3.6060 3.6827 3.7727 3.8472 3.9281 4.0830 4.1453 4.2199 4.3582 4.4331 4.5737 4.6287 4.6707 4.7993 4.9320 5.1838 5.2746 5.3136 5.3967 5.4460 5.5748 5.6196 5.7691 5.9346 6.1486 6.2540 6.3096 6.3625 6.5162 6.6646 6.8499 6.9473 7.0679 7.1450 7.3340 7.3784 7.4501 7.6086 7.7521 7.9705 8.0361 8.2040 8.4594 8.5787 8.6916 8.7814 8.8940 8.9442 9.0675 9.1317 9.3127 9.5079 9.6004 9.6984 9.7085 9.8892 10.1226 10.1387 10.2669 10.4314 10.4876 10.6263 10.7278 10.9179 10.9984 11.1051 11.1493 11.1803 11.2774 11.3231 11.5145 11.5743 11.7043 11.8120 11.9362 12.0490 12.1016 12.2072 12.2205 12.3640 12.5025 12.5858 12.6548 12.8314 12.9811 13.0322 13.1903 13.2219 13.3098 13.3661 13.4268 13.4872 13.5203 13.6531 13.6732 13.7656 13.8515 14.0536 14.1207 14.1656 14.2260 14.2933 14.3990 14.5064 14.5799 14.6968 14.7321 14.8559 14.9417 15.0238 15.1296 15.2143 15.2811 15.3447 15.4408 15.5286 15.7350 15.9765 16.0183 16.1381 16.1681 16.2955 16.3958 16.4625 16.5474 16.6088 16.7634 16.8496 16.9223 17.1384 17.2219 17.5117 17.6848 17.7094 17.8362 18.0110 18.1777 18.2778 18.3934 18.4828 18.7220 18.7864 18.9495 19.1181 19.1450 19.2702 19.4067 19.4607 19.6453 19.7650 19.9152 19.9869 20.2320 20.3884 20.3991 20.5916 20.7229 20.9214 21.0614 21.1785 21.2643 21.3981 21.5513 21.6314 21.8160 21.9369 22.1473 22.2822 22.4250 22.4894 22.7985 22.8246 22.9697 23.3193 23.3918 23.5880 23.7204 23.8059 23.9080 23.9123 23.9928 24.1438 24.4245 24.6072 24.6871 24.8818 24.9376 25.1026 25.1573 25.4996 25.7933 25.9864 26.0471 26.2043 26.2926 26.5716 26.6223 26.6920 26.9227 27.0218 27.0629 27.1713 27.2757 27.5439 27.6257 27.7946 27.9272 28.1099 28.1584 28.2906 28.3189 28.5053 28.6974 28.7277 28.8897 28.9389 29.1210 29.1490 29.2661 29.3079 29.5062 29.5553 29.6812 29.8367 29.9007 30.0828 30.1604 30.3366 30.4018 30.5318 30.6101 30.7913 30.9078 30.9495 31.1055 31.2134 31.3598 31.5476 31.6924 31.7823 31.8729 32.2026 32.2634 32.3841 32.4647 32.5559 32.7232 32.9712 33.0354 33.1331 33.2692 33.3620 33.4963 33.5517 33.7453 33.9057 34.0144 34.0555 34.1051 34.4436 34.5445 34.6193 34.6686 34.9245 35.1017 35.1916 35.2810 35.4770 35.6083 35.6468 35.7530 35.9562 36.2075 36.2989 36.3760 36.4763 36.6749 36.7400 36.8392 36.9928 37.1919 37.3821 37.4899 37.5859 37.8600 38.0202 38.1445 38.1813 38.4009 38.4127 38.6371 38.7806 38.7934 39.1332 39.1773 39.3015 39.3683 39.6508 39.6667 39.8647 40.1438 40.2138 40.3544 40.4935 40.6061 40.8219 40.9253 41.0250 41.1630 41.2077 41.4086 41.5246 41.6520 41.7532 41.9787 42.0823 42.2369 42.3550 42.4995 42.5570 42.7659 43.0236 43.0719 43.1930 43.2467 43.2673 43.3860 43.4951 43.5072 43.7588 43.8548 43.8858 44.0028 44.0236 44.1161 44.2674 44.4335 44.4869 44.5526 44.6997 44.8132 44.8698 44.9188 44.9900 45.1256 45.1834 45.4394 45.5238 45.6618 45.7552 45.8020 45.9561 46.0765 46.1673 46.3488 46.5692 46.6397 46.6949 46.8586 46.9647 47.0954 47.4576 47.6157 47.6362 47.7596 48.0508 48.0910 48.1189 48.4308 48.5366 48.7066 48.7653 49.1235 49.2405 49.3792 49.4721 49.5217 49.7072 49.9110 50.0781 50.3603 50.5630 50.6423 50.9814 51.1392 51.1469 51.6346 51.6465 51.8652 52.0955 52.3524 52.4993 52.8780 53.4467 53.5289 53.8868 53.9451 54.0798 54.2618 54.3350 54.7710 54.9314 55.5339 55.9557 56.0723 56.4082 56.5051 56.6773 56.7723 57.0691 57.3747 57.5171 57.8539 58.1550 58.3160 58.4806 58.6555 58.7786 59.0548 59.2696 59.3616 59.5586 59.8834 60.0515 60.3613 60.5676 60.7382 60.7909 60.9369 61.2620 61.5464 61.7384 61.9784 62.1465 62.1975 62.5810 62.7397 62.9505 63.0836 63.2557 63.4469 63.6922 63.8891 63.9984 64.1018 64.5459 64.5901 64.9569 65.1752 65.3200 65.5318 65.7559 66.2387 66.3255 66.3313 66.7785 66.8869 67.2323 67.3102 67.5750 67.6640 67.9449 68.3484 68.8427 68.9698 69.3881 69.4509 69.8320 70.0188 70.3163 70.3882 70.4152 70.8409 71.0205 71.2242 71.5405 71.7034 71.8347 72.2680 72.5336 72.7996 73.0942 73.2226 73.4128 73.5414 73.8198 73.9399 74.0550 74.1344 74.3374 74.4597 74.5244 74.6938 74.9218 75.1533 75.4304 75.5471 75.6994 75.9012 76.0416 76.1773 76.3419 76.4697 76.7805 76.8269 76.8735 77.0548 77.1102 77.3597 77.6194 77.9827 78.0365 78.2507 78.3211 78.4350 78.7684 78.9401 79.0247 79.2634 79.2729 79.6678 79.8572 80.0815 80.1748 80.3971 80.5534 80.7551 80.8026 81.0197 81.1567 81.2122 81.5007 81.6233 81.6660 81.7424 81.8409 82.0037 82.1299 82.3048 82.3864 82.5030 82.6893 82.8747 83.0865 83.1443 83.3446 83.4267 83.6225 83.7529 83.8558 83.8832 84.3114 84.3219 84.5096 84.6216 84.7625 84.7927 85.0152 85.1217 85.2604 85.4104 85.6492 85.6837 85.8309 85.9610 86.2070 86.2693 86.3245 86.3926 86.5442 86.6292 86.8100 86.9509 87.0206 87.3720 87.3907 87.5651 87.6855 87.8073 87.8925 88.0126 88.1201 88.3423 88.3844 88.4194 88.5031 88.5568 88.7871 88.8112 88.9725 89.1340 89.1684 89.2554 89.4384 89.6439 89.7690 89.8853 90.1101 90.2176 90.2966 90.4103 90.6816 90.8664 90.9467 91.0528 91.1826 91.3848 91.5405 91.6098 91.6254 91.8899 91.9227 92.0317 92.0966 92.2020 92.3462 92.3908 92.5535 92.6150 92.9315 92.9827 93.0638 93.2239 93.3476 93.5091 93.6340 93.8450 93.8913 94.0291 94.3141 94.3988 94.5150 94.5876 94.8148 94.8921 95.0875 95.0911 95.1889 95.2993 95.4997 95.5886 95.6963 95.7469 95.9759 96.0773 96.1731 96.2602 96.3199 96.5286 96.6290 96.7189 96.9895 97.1765 97.2062 97.2918 97.3803 97.4357 97.6795 97.8208 97.9131 98.0193 98.0907 98.1467 98.2730 98.3401 98.4736 98.6081 98.8048 98.8771 99.0133 99.2612 99.3925 99.4505 99.5003 99.5987 99.7684 100.1182 100.2342 100.3098 100.3563 100.6833 100.6948 100.8281 100.9703 101.1183 101.2033 101.3113 101.4131 101.5613 101.6666 101.7856 101.8448 101.9611 102.0221 102.1301 102.3095 102.4784 102.6176 102.7461 102.9404 103.0200 103.0728 103.2583 103.3931 103.4906 103.6111 103.8275 103.8846 104.1518 104.3607 104.4800 104.6645 104.7674 104.8301 104.8734 105.1488 105.3252 105.4594 105.5319 105.7887 105.8344 105.9751 106.0803 106.2192 106.3204 106.4623 106.6035 106.7919 106.8135 107.1006 107.1469 107.3143 107.4987 107.6252 107.7463 107.8672 107.9456 108.0736 108.3634 108.4814 108.6944 108.9454 109.1700 109.2847 109.4011 109.5322 109.6874 109.7493 109.8714 110.1467 110.2630 110.3766 110.4896 110.7098 110.7971 110.8837 111.0536 111.2065 111.3590 111.4389 111.5501 111.6778 111.8025 111.9174 112.1602 112.2288 112.4307 112.5405 112.6484 112.7680 112.9163 112.9532 113.1316 113.3228 113.4369 113.6368 113.7297 113.8018 113.8896 114.1049 114.3156 114.3353 114.4144 114.5381 114.7713 114.8942 115.0750 115.1895 115.2794 115.4015 115.5520 115.6627 115.7789 115.9091 116.0929 116.2158 116.2841 116.3566 116.4660 116.6796 116.8663 116.9907 117.2190 117.2826 117.3456 117.4781 117.7565 117.7982 117.9071 118.0139 118.1245 118.1880 118.4204 118.4874 118.5841 118.6862 118.7641 119.0001 119.1048 119.1643 119.4005 119.5108 119.7261 119.8139 119.8399 119.8987 120.0076 120.3061 120.3267 120.4328 120.6540 120.7496 120.7768 120.9283 121.0740 121.1467 121.3155 121.7322 121.7872 122.0018 122.1436 122.1947 122.4188 122.6427 122.6971 122.9457 123.1448 123.2312 123.3299 123.4586 123.5826 123.8775 124.1627 124.2640 124.3163 124.5455 124.7178 124.7851 124.8691 124.9993 125.2584 125.6065 125.6838 125.8100 125.8614 126.0599 126.2785 126.4346 126.4646 127.0047 127.0681 127.1986 127.3729 127.6035 127.7462 128.0027 128.1680 128.2189 128.3509 128.8074 128.9876 129.1912 129.4068 129.5419 129.7236 129.9290 130.1803 130.2483 130.3585 130.5882 130.7853 130.9496 131.0670 131.2762 131.5824 131.9257 132.0173 132.4203 132.5696 132.6621 132.7794 132.9849 133.1816 133.2579 133.3975 133.7512 133.8969 134.2090 134.3413 134.4715 134.6838 134.9404 135.2054 135.4147 135.5617 135.6250 135.6690 136.0442 136.3571 136.5636 136.8082 136.8980 137.2156 137.3755 137.6453 137.7731 137.8685 138.1558 138.3917 138.4588 139.0681 139.4805 139.6550 139.8391 140.2500 140.4529 140.5336 140.8302 141.2104 141.4122 141.5345 141.8036 142.0926 142.3891 142.6182 142.9800 143.3852 143.5949 143.9161 144.0109 144.2350 144.5029 144.8343 145.0212 145.0984 145.2609 145.2904 145.4041 145.5850 145.8169 146.1168 146.4871 146.6215 147.0631 147.1527 147.2376 147.5790 147.7045 147.8637 148.0548 148.1733 148.2329 148.3431 148.5840 148.7203 148.9206 149.0386 149.1463 149.1977 149.2582 149.7020 149.9870 150.0080 150.2152 150.4482 150.6354 150.9906 151.0704 151.2118 151.4447 151.6109 151.8275 152.0361 152.1129 152.1370 152.3273 152.5350 152.6692 152.8084 152.9762 153.0933 153.3453 153.5677 153.6035 153.7525 153.8488 154.0103 154.1051 154.3017 154.3977 154.6118 154.7462 155.0043 155.1369 155.5521 155.6479 155.7302 156.0458 156.2662 156.4424 156.6403 156.7838 156.9564 157.6359 157.7447 157.9840 158.4035 158.5342 159.2251 159.3040 159.5373 159.7696 160.1167 160.4027 160.4793 160.7601 160.9514 161.0272 161.1340 161.2958 161.3740 161.4684 161.5716 161.7379 161.7815 161.8981 162.0820 162.2231 162.3750 162.5232 162.7382 162.9279 163.0917 163.2261 163.5203 163.5746 163.6947 163.8028 164.0145 164.2764 164.4685 164.8341 164.8371 165.2350 165.3728 165.5604 165.7021 165.9449 166.3563 166.5876 166.7136 167.1691 168.4395 168.7676 169.2631 170.1657 171.7744 173.2178 174.5084 175.8689 177.6804 178.5270 179.7857 182.4994 182.7624 184.0689 185.2965 187.8617 188.2458 188.5325 188.9749 189.6479 190.0255 190.6191 191.4663 191.9751 192.6065 192.7373 194.7670 195.8348 196.6016 196.9337 197.2078 198.0918 198.5413 198.7770 201.0914 201.9924 204.2602 205.0828 205.3369 205.7251 206.2011 206.8713 207.8923 209.3374 211.9773 215.0162 215.9923 220.9964 647.7413 648.8109 650.4639 651.9978 658.4229 658.9630 659.8050 660.3367 661.0879 662.8413 662.9913 665.3738 666.2006 666.3923 668.8430 668.9867 670.9781 671.4997 674.2811 675.4601 675.9455 946.2133 1239.2964 1240.7932 1240.8002 1244.3801 1247.7693 3030.8789 1.0000000 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 52 53 54 55 56 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag 0.210317 -0.340050 0.284718 0.148899 0.039103 0.697302 -0.161230 0.131543 0.129016 0.133631 0.389948 -0.129530 0.101532 0.121614 -0.354693 -0.555729 -0.395209 -0.499276 -0.419312 0.250055 -0.215033 0.120427 0.131357 0.090488 0.048304 -0.234809 0.063427 0.076771 0.078327 -0.207916 0.065463 0.080659 0.055871 -0.241357 0.190586 0.114128 -0.210627 0.077216 0.115936 0.106926 -0.191068 0.080262 0.076097 0.115065 -0.304497 0.167617 0.141317 -0.201754 0.121423 0.089526 0.089730 -0.182825 0.077057 0.117664 0.078345 0.296409 0.340838 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 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag -0.216715 -0.150994 -0.186475 -0.038706 -0.185962 -0.222494 0.026362 0.042471 0.034368 0.067548 -0.047285 0.019476 0.032719 0.037561 0.399444 0.106132 0.149931 0.095216 0.300633 -0.115795 0.020522 0.044612 0.041674 -0.079704 0.021466 0.032665 0.012160 0.011968 0.014997 0.027335 0.014321 0.015204 0.003510 -0.018566 0.037398 -0.065152 0.046880 0.022654 0.031867 0.017891 0.044826 0.023533 0.020334 0.033694 -0.013526 0.029383 -0.073498 0.051265 0.035584 0.025734 0.023018 0.047587 0.022810 0.034697 0.024182 -0.149279 0.418515 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 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag 5.7897 6.3400 5.7153 5.8511 5.9609 5.3027 6.1612 0.8685 0.8710 0.8664 5.6101 6.1295 0.8985 0.8784 8.3547 8.5557 8.3952 8.4993 8.4193 0.7499 6.2150 0.8796 0.8686 5.9095 0.9517 6.2348 0.9366 0.9232 0.9217 6.2079 0.9345 0.9193 0.9441 6.2414 0.8094 5.8859 6.2106 0.9228 0.8841 0.8931 6.1911 0.9197 0.9239 0.8849 6.3045 0.8324 5.8587 6.2018 0.8786 0.9105 0.9103 6.1828 0.9229 0.8823 0.9217 0.7036 18.6592 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 6.0000 1.0000 1.0000 8.0000 8.0000 8.0000 8.0000 8.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 19.0000 0.2103 -0.3400 0.2847 0.1489 0.0391 0.6973 -0.1612 0.1315 0.1290 0.1336 0.3899 -0.1295 0.1015 0.1216 -0.3547 -0.5557 -0.3952 -0.4993 -0.4193 0.2501 -0.2150 0.1204 0.1314 0.0905 0.0483 -0.2348 0.0634 0.0768 0.0783 -0.2079 0.0655 0.0807 0.0559 -0.2414 0.1906 0.1141 -0.2106 0.0772 0.1159 0.1069 -0.1911 0.0803 0.0761 0.1151 -0.3045 0.1676 0.1413 -0.2018 0.1214 0.0895 0.0897 -0.1828 0.0771 0.1177 0.0783 0.2964 0.3408 3.9651 3.2569 3.8546 3.6343 4.0376 3.5468 4.0051 1.0053 1.0102 1.0130 3.8094 3.8431 1.0256 1.0174 2.1861 1.8738 2.0309 1.9313 2.0193 1.0156 3.9699 1.0157 1.0183 3.7623 1.0341 3.9764 1.0054 1.0045 1.0081 3.9586 1.0113 1.0058 1.0107 3.7599 1.0176 3.5647 3.9611 1.0085 1.0003 1.0030 3.9483 1.0069 1.0066 0.9999 3.7400 1.0111 3.5991 3.9528 0.9995 1.0068 1.0036 3.9500 1.0079 0.9993 1.0063 1.0292 1.3158 3.9651 3.2569 3.8546 3.6343 4.0376 3.5468 4.0051 1.0053 1.0102 1.0130 3.8094 3.8431 1.0256 1.0174 2.1861 1.8738 2.0309 1.9313 2.0193 1.0156 3.9699 1.0157 1.0183 3.7623 1.0341 3.9764 1.0054 1.0045 1.0081 3.9586 1.0113 1.0058 1.0107 3.7599 1.0176 3.5647 3.9611 1.0085 1.0003 1.0030 3.9483 1.0069 1.0066 0.9999 3.7400 1.0111 3.5991 3.9528 0.9995 1.0068 1.0036 3.9500 1.0079 0.9993 1.0063 1.0292 1.3158 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.0069 0.1052 0.9329 1.8828 1.0732 1.3535 0.9877 1.6987 0.9060 0.9039 0.9640 0.8833 2.0029 1.0624 0.7893 1.0019 1.0388 0.9672 0.9595 1.3873 1.0184 0.9983 0.8972 0.8459 0.1467 0.9461 1.0152 1.0335 0.9413 1.0254 0.9321 0.9441 1.0006 1.0123 1.0075 1.0004 1.0080 0.9982 1.0178 1.4338 0.3355 0.9811 0.9726 0.2612 1.0006 0.9950 1.0128 1.0096 1.0048 0.9881 1.0100 1.4157 0.3501 0.9928 0.9669 0.2840 0.9912 0.9996 1.0106 1.0006 0.9883 1.0099 0 1 0 4 0 5 0 17 1 2 1 10 2 3 2 15 3 4 3 6 3 9 4 5 4 16 5 18 5 20 6 7 6 8 6 33 10 11 10 14 11 12 11 13 11 23 14 55 15 55 18 19 20 21 20 22 20 44 23 24 23 25 23 29 25 26 25 27 25 28 29 30 29 31 29 32 33 34 33 35 33 56 35 36 35 40 35 56 36 37 36 38 36 39 40 41 40 42 40 43 44 45 44 46 44 56 46 47 46 51 46 56 47 48 47 49 47 50 51 52 51 53 51 54 -1333.376815206 -1338.805548875 0.011997232 DLPNO BASED -0.220872781 -5.649606451 -1338.805548875 -1339.026421657 -1339.026421656732 130.15512 -131.57932 -1.42419 -43.24226 43.67586 0.43360 -49.96587 52.12700 2.16113 2.62428 6.67038