Orca 5.0.1 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:57C3C3C3CC3CCHHHC3CHHOO1O1OOHCHHCHCHHHCHHHC3HC3CHHHCHHHC3HC3CHHHCHHHHAg/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;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Method Hartree-Fock(GTOs) IntName Humulone_Ag_cisKeto_12 HFTyp RHF Charge 1 Mult 1 NEL 214 Dim 1282 ENuc 3048.7082931236 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 1.288e-05 Time for diagonalization 0.321 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.275 sec Total time needed 0.605 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:57C3C3C3CC3CCHHHC3CHHOO1O1OOHCHHCHCHHHCHHHC3HC3CHHHCHHHC3HC3CHHHCHHHHAg/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;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1333.39726265 3048.70829312 -4382.10555578 -7926.06914447 3543.96358870 -2576.67030857 1243.27304592 2.07248948 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 -563.9827 -563.5379 -563.0583 -562.8397 -562.5401 -312.6056 -312.4315 -312.1681 -312.1401 -311.5478 -310.1940 -309.8338 -309.5760 -309.5513 -309.1054 -308.9466 -308.8921 -308.6489 -308.4767 -308.4436 -308.2094 -307.6505 -307.5965 -307.5841 -307.4450 -307.3814 -121.9253 -79.9611 -79.9243 -79.9090 -42.9993 -42.5852 -41.7399 -41.3115 -41.0059 -34.4966 -34.0122 -33.1653 -32.7148 -32.0356 -31.7875 -30.2914 -29.6018 -29.4184 -28.8938 -27.9457 -27.8643 -27.6510 -26.5944 -26.3380 -25.9782 -25.3241 -24.7668 -23.7682 -23.4076 -23.3446 -22.5718 -22.1432 -22.0024 -21.5942 -21.2975 -20.9572 -20.8316 -20.5722 -20.4992 -20.3593 -20.1633 -19.9042 -19.8997 -19.8183 -19.5392 -19.0252 -18.9005 -18.8492 -18.6921 -18.5455 -18.4526 -18.2882 -18.2116 -18.1862 -18.0683 -18.0538 -18.0289 -17.8775 -17.8320 -17.6605 -17.5955 -17.4427 -17.2981 -17.2190 -16.9302 -16.8848 -16.8413 -16.7860 -16.7583 -16.3636 -16.1369 -15.7405 -15.5799 -15.4314 -15.4072 -15.2187 -14.9321 -14.6043 -13.5041 -13.0952 -11.7567 -2.6454 -1.2215 -0.7393 -0.4148 -0.1752 0.1304 0.3884 0.4693 1.0738 1.2770 1.4183 1.6158 1.7287 2.0056 2.0864 2.1354 2.3486 2.5482 2.5632 2.6852 2.8462 2.8796 3.1109 3.1127 3.2374 3.4837 3.5394 3.5462 3.7463 3.8239 3.9365 4.0157 4.0811 4.1279 4.2952 4.3058 4.4767 4.5845 4.7889 4.8981 4.9573 5.0474 5.1119 5.2435 5.3020 5.4002 5.5529 5.6544 5.7763 5.8519 5.8603 6.0670 6.1153 6.1779 6.3693 6.3938 6.4942 6.7397 6.8839 7.0071 7.2283 7.3756 7.4863 7.6164 7.6672 7.9197 8.0483 8.1645 8.2249 8.2530 8.4476 8.5574 8.6868 8.7157 8.9681 9.0378 9.2663 9.3818 9.5231 9.5396 9.7620 9.8327 10.0003 10.0748 10.2041 10.3459 10.4424 10.6408 10.6867 10.7456 10.8426 11.0164 11.1302 11.1790 11.2895 11.4091 11.4455 11.6369 11.6861 11.7756 12.0187 12.0913 12.1705 12.2423 12.3125 12.4225 12.5442 12.6512 12.7542 12.9159 12.9440 13.0466 13.1224 13.2332 13.3557 13.4832 13.5180 13.6594 13.7023 13.8029 13.8820 13.9621 14.0626 14.1265 14.1652 14.2475 14.3123 14.4588 14.5001 14.5847 14.7178 14.7922 14.8036 14.9679 15.0434 15.1017 15.1382 15.2006 15.3801 15.4357 15.5393 15.6086 15.7351 15.7613 15.8798 16.0212 16.0760 16.2420 16.3697 16.4163 16.5599 16.6461 16.8094 16.9532 17.0119 17.0196 17.2087 17.2782 17.5609 17.6791 17.7253 17.8092 17.9645 18.0810 18.2752 18.3339 18.4530 18.6542 18.8109 18.8516 18.9740 18.9990 19.1577 19.2851 19.5545 19.5992 19.7027 19.8357 20.0104 20.0769 20.1945 20.2711 20.5162 20.6130 20.7240 20.8718 21.0364 21.0829 21.2243 21.5009 21.6391 21.6522 21.9831 22.1603 22.2205 22.3865 22.4358 22.5913 22.6777 22.9797 23.1105 23.2269 23.2946 23.5980 23.6665 23.7882 24.0249 24.1443 24.2189 24.4411 24.5709 24.8588 24.9331 25.1102 25.1743 25.5212 25.5369 25.7285 25.9086 26.0518 26.1837 26.3299 26.4379 26.6501 26.6852 26.8223 26.9575 26.9838 27.3090 27.4428 27.6550 27.6870 27.9077 28.0316 28.1250 28.3482 28.3862 28.5077 28.6509 28.7048 28.9275 29.0754 29.2259 29.3323 29.4265 29.5027 29.6001 29.6965 29.8452 29.8669 30.0496 30.1066 30.3303 30.4143 30.4353 30.6897 30.8617 30.8822 31.0400 31.0750 31.1895 31.3789 31.4129 31.5140 31.6785 31.7740 31.8055 32.1379 32.2277 32.2610 32.4057 32.4680 32.6056 32.9435 32.9743 33.1448 33.1688 33.2782 33.4106 33.4851 33.6325 33.6709 33.8734 33.9418 34.0220 34.2878 34.4066 34.4369 34.6929 34.8531 34.9377 35.1985 35.2307 35.4861 35.6015 35.9078 35.9646 36.1031 36.1900 36.3741 36.4437 36.5822 36.6190 36.8778 36.9640 37.0951 37.3643 37.5721 37.6187 37.8608 37.9039 38.0775 38.2908 38.4787 38.5549 38.7295 38.9006 39.0712 39.1958 39.2872 39.4013 39.4302 39.6128 39.7832 39.9926 40.1255 40.2991 40.3395 40.4451 40.5585 40.7538 40.9256 41.0832 41.1614 41.2248 41.4860 41.5427 41.7043 41.7754 41.8929 42.0381 42.1871 42.3110 42.3443 42.4395 42.6635 42.7082 42.9233 43.0111 43.1155 43.1439 43.3438 43.3821 43.4802 43.6375 43.6850 43.8210 44.0209 44.0460 44.1969 44.3023 44.3918 44.5322 44.5579 44.6644 44.7518 45.0274 45.0668 45.1332 45.3897 45.4592 45.6583 45.7238 45.8544 46.0179 46.1392 46.1889 46.3075 46.3181 46.4832 46.6544 46.8094 46.9010 47.1525 47.2451 47.2870 47.4610 47.5489 47.7461 47.8159 47.9163 48.1175 48.1998 48.2702 48.4473 48.5275 48.6533 48.7384 48.9608 49.0883 49.2529 49.5914 49.7864 49.8939 50.0104 50.2670 50.3476 50.4173 50.6775 50.8661 51.0453 51.2395 51.4572 51.5157 51.6321 51.9057 52.1765 52.3211 52.5648 52.6972 52.9378 53.1015 53.3158 53.6436 53.9824 54.1713 54.3937 54.6641 54.7634 54.9817 55.1560 55.2802 55.6439 55.8062 55.8254 56.1680 56.6801 56.9389 57.0605 57.2479 57.7653 58.0151 58.1684 58.4765 58.5984 58.8331 58.9978 59.2023 59.3800 59.6393 59.6959 59.8283 59.9325 60.2691 60.5464 60.6827 61.0116 61.3526 61.4364 61.6921 62.0379 62.1568 62.3314 62.4851 62.9410 63.0321 63.2963 63.5406 63.7004 63.8852 64.0954 64.3573 64.5463 64.6001 64.8845 65.0940 65.1914 65.3884 65.6622 65.7762 65.8769 65.9623 66.4431 66.5471 66.8095 66.9861 67.1709 67.3875 67.5603 67.9767 68.1864 68.4529 68.6694 68.9366 69.1036 69.4379 69.6500 69.8103 69.8922 70.0156 70.4758 70.6592 70.7839 71.3172 71.6577 71.9251 72.1340 72.5550 72.8410 73.0786 73.3041 73.6084 73.7774 73.8904 73.9413 74.0974 74.2027 74.3828 74.4772 74.7392 74.9141 75.0551 75.1816 75.2693 75.5510 75.6608 75.9133 75.9919 76.1936 76.4328 76.5267 76.7808 76.9136 77.0913 77.2891 77.5697 77.7066 77.9305 78.0150 78.3397 78.5597 78.8499 78.9227 79.0997 79.2541 79.3858 79.6507 79.8621 80.0469 80.1808 80.3806 80.4654 80.5890 80.9247 80.9957 81.1108 81.2861 81.3894 81.5072 81.6388 81.7787 81.9227 82.1621 82.2814 82.3636 82.5423 82.6968 82.7942 82.9730 83.1246 83.2079 83.2877 83.4736 83.6151 83.7679 83.9091 83.9241 84.0303 84.3087 84.4344 84.5886 84.6943 84.8544 84.9909 85.3458 85.4687 85.6354 85.6684 85.8054 86.0333 86.1673 86.3532 86.4306 86.5032 86.5932 86.6641 86.7790 86.8287 87.0294 87.0879 87.2620 87.5121 87.5992 87.6927 87.6957 87.8562 87.9876 88.1574 88.3097 88.4094 88.4351 88.5898 88.6904 88.8086 88.8315 88.9106 89.1156 89.2916 89.3349 89.4762 89.6158 89.9039 89.9589 90.0284 90.1906 90.3404 90.4915 90.7169 90.7814 90.8464 91.0457 91.0714 91.1938 91.2966 91.3857 91.6716 91.6905 91.8793 91.9250 92.0014 92.1205 92.2419 92.3306 92.5282 92.6766 92.7977 92.9560 93.0107 93.2128 93.4493 93.5419 93.5995 93.7618 93.7923 93.9983 94.2341 94.3547 94.4746 94.6396 94.6748 94.6957 94.9816 95.1012 95.2454 95.3572 95.4464 95.5552 95.8186 95.8581 95.9889 96.0807 96.1838 96.3898 96.4106 96.4885 96.7099 96.7802 96.8568 96.8799 97.0216 97.2199 97.3248 97.4350 97.6623 97.7380 97.8809 98.0016 98.1223 98.1820 98.2344 98.5391 98.6255 98.7146 98.7778 98.8129 99.0351 99.1666 99.3382 99.4937 99.6017 99.6513 99.8027 100.1121 100.2252 100.4718 100.5465 100.6019 100.7553 101.0989 101.1169 101.2705 101.5256 101.6101 101.6976 101.7849 101.8302 101.9471 102.0774 102.1834 102.2013 102.3859 102.5009 102.6408 102.7152 102.7647 102.9878 103.1038 103.1781 103.4049 103.6479 103.7107 103.7624 103.8356 103.9293 104.0486 104.2527 104.4168 104.4729 104.6039 104.7116 104.8662 105.0405 105.2057 105.2966 105.4443 105.5570 105.8453 105.8990 106.0442 106.1093 106.2323 106.4788 106.6656 106.7042 106.7953 106.9901 107.0023 107.1773 107.2831 107.4905 107.6044 107.8408 107.9723 108.1391 108.1947 108.4544 108.5504 108.6859 108.8492 109.1046 109.2201 109.3607 109.5419 109.6917 109.8568 110.0768 110.1770 110.2961 110.5058 110.6583 110.7289 110.8272 111.0093 111.0969 111.2472 111.6104 111.6877 111.7718 112.0028 112.1418 112.3298 112.3903 112.4302 112.6861 112.7602 112.9162 112.9560 113.0044 113.1429 113.2612 113.3096 113.4796 113.6631 113.7591 113.9665 114.0860 114.1573 114.2772 114.4229 114.5636 114.6429 114.8568 115.0612 115.1450 115.2623 115.4440 115.5637 115.7767 115.8890 115.9505 116.1244 116.3085 116.4585 116.5519 116.6975 116.9087 117.0759 117.1174 117.2696 117.3304 117.4903 117.6077 117.6920 117.9750 118.1185 118.2303 118.3407 118.4141 118.4393 118.5724 118.6904 118.8284 119.0891 119.2470 119.3573 119.4002 119.4744 119.6369 119.7274 119.8541 119.9809 120.0925 120.2711 120.3007 120.5206 120.6712 120.7447 120.8880 121.0332 121.1245 121.2559 121.4074 121.4138 121.5841 121.7303 121.8761 122.0950 122.3522 122.4128 122.5376 122.7237 122.9127 122.9921 123.1965 123.3599 123.4878 123.6250 123.8157 123.8702 124.0354 124.0939 124.6060 124.6458 124.7898 125.0630 125.2428 125.3345 125.4702 125.6002 125.7520 126.0796 126.2882 126.4214 126.5331 126.6524 126.8447 127.2502 127.4640 127.5635 127.7209 127.8204 127.9404 128.2327 128.3192 128.4400 128.5081 128.9596 129.1001 129.3241 129.5011 129.9041 130.1707 130.4460 130.7397 130.8938 130.9750 131.1707 131.3098 131.5761 131.7524 132.0175 132.2087 132.3166 132.7420 132.8758 133.0652 133.1626 133.3601 133.4568 133.6203 133.7056 134.0096 134.1634 134.2152 134.3305 134.5214 134.6402 134.8063 134.9858 135.2390 135.3497 135.4036 135.8985 136.0162 136.1048 136.6489 137.0425 137.2052 137.3131 137.5452 137.6215 137.8203 137.9751 138.3090 138.5488 138.8465 138.9179 139.2001 139.2221 139.7254 139.9339 140.0133 140.1936 140.6011 140.8285 140.8929 141.3632 141.7471 141.9645 142.2969 142.6526 143.0902 143.1584 143.6874 143.7372 144.1206 144.3611 144.6339 144.9340 145.2507 145.4289 145.7761 145.9317 146.0110 146.1651 146.2652 146.3180 146.6144 146.6268 146.9289 147.1536 147.2792 147.5205 147.7609 147.8308 147.9409 148.0315 148.1379 148.5327 148.6985 148.8133 149.0438 149.1657 149.2614 149.6604 149.7900 149.8615 149.9100 150.0440 150.1815 150.3316 150.5253 150.7129 150.7903 151.0948 151.1402 151.1567 151.4226 151.5698 151.7803 151.8987 152.2755 152.4065 152.5459 152.8050 152.8618 152.9186 153.2217 153.2601 153.5337 153.6612 153.8195 153.8947 153.9248 153.9628 154.2092 154.5373 154.6023 154.6650 154.7848 155.1944 155.4935 155.8909 156.0491 156.2465 156.5715 156.6432 156.8813 157.2008 157.4170 157.8445 158.0067 158.3520 158.6075 158.9943 159.0648 159.2353 159.5822 159.6688 159.8957 159.9599 160.4991 160.7067 160.9656 161.0292 161.0961 161.5388 161.6138 161.9409 162.0161 162.0811 162.1216 162.1493 162.2509 162.2747 162.4231 162.4580 162.5932 162.6714 162.9478 162.9830 163.1258 163.2060 163.2629 163.5313 163.8001 164.2964 164.3317 164.4249 164.4660 164.8219 165.2562 165.4432 165.6885 165.8201 165.9545 166.0809 166.8707 167.6175 169.1308 169.8001 170.4992 171.5653 172.2611 174.3531 174.3703 175.5296 177.1488 178.4049 178.8506 182.1254 182.7384 183.5814 184.8089 186.6057 186.6895 187.5178 188.8368 189.3534 189.8877 190.6886 191.2108 191.7516 192.4275 194.4042 195.6639 196.1330 197.2630 197.6260 197.7806 198.0992 198.7093 199.3061 200.2411 201.0474 203.7541 204.7542 205.2591 205.7444 206.5089 207.4912 208.4838 209.5668 211.5252 214.8466 216.4770 222.6030 645.5482 647.8702 648.9662 652.7447 658.9140 659.4032 660.4022 660.8832 662.2671 662.4997 665.9856 666.4156 667.3641 667.5351 668.9251 670.2981 670.5829 671.3346 674.0580 675.4730 676.6520 937.2454 1238.7557 1239.0803 1243.5073 1244.3534 1250.5631 3028.5338 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 0.278476 -0.253722 0.142711 0.222036 0.059717 0.856075 -0.072460 0.123150 0.105794 0.117368 0.348868 -0.085802 0.083845 0.130113 -0.351558 -0.477418 -0.439888 -0.630268 -0.501009 0.258468 -0.328056 0.136151 0.129484 0.094870 0.031871 -0.226844 0.080242 0.070726 0.059007 -0.222431 0.047816 0.081058 0.081124 -0.222155 0.076756 -0.007721 -0.167483 0.063621 0.057985 0.086861 -0.176754 0.061051 0.074539 0.090669 -0.187369 0.150936 0.005440 -0.150950 0.046878 0.120661 0.084578 -0.193301 0.080516 0.110591 0.083571 0.304964 0.656604 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 -0.187198 -0.149548 -0.173631 -0.036302 -0.172650 -0.203505 0.018148 0.033410 0.028489 0.056994 -0.044058 0.020557 0.027769 0.039319 0.403570 0.145850 0.143187 0.089109 0.320053 -0.109662 0.023532 0.040934 0.032151 -0.080906 0.020103 0.031767 0.014982 0.014463 0.007492 0.028178 0.003411 0.016700 0.014823 -0.045467 0.009731 -0.077558 0.032235 0.013619 0.012562 0.019996 0.032613 0.016672 0.009602 0.020995 -0.012868 0.031659 -0.055618 0.047837 0.013286 0.032440 0.025548 0.045477 0.020911 0.031627 0.022990 -0.154024 0.488206 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 5.7215 6.2537 5.8573 5.7780 5.9403 5.1439 6.0725 0.8769 0.8942 0.8826 5.6511 6.0858 0.9162 0.8699 8.3516 8.4774 8.4399 8.6303 8.5010 0.7415 6.3281 0.8638 0.8705 5.9051 0.9681 6.2268 0.9198 0.9293 0.9410 6.2224 0.9522 0.9189 0.9189 6.2222 0.9232 6.0077 6.1675 0.9364 0.9420 0.9131 6.1768 0.9389 0.9255 0.9093 6.1874 0.8491 5.9946 6.1509 0.9531 0.8793 0.9154 6.1933 0.9195 0.8894 0.9164 0.6950 18.3434 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 0.2785 -0.2537 0.1427 0.2220 0.0597 0.8561 -0.0725 0.1231 0.1058 0.1174 0.3489 -0.0858 0.0838 0.1301 -0.3516 -0.4774 -0.4399 -0.6303 -0.5010 0.2585 -0.3281 0.1362 0.1295 0.0949 0.0319 -0.2268 0.0802 0.0707 0.0590 -0.2224 0.0478 0.0811 0.0811 -0.2222 0.0768 -0.0077 -0.1675 0.0636 0.0580 0.0869 -0.1768 0.0611 0.0745 0.0907 -0.1874 0.1509 0.0054 -0.1509 0.0469 0.1207 0.0846 -0.1933 0.0805 0.1106 0.0836 0.3050 0.6566 3.7574 3.2204 3.9794 3.6743 4.0469 3.1383 3.8872 1.0164 1.0130 1.0240 3.8314 3.8100 1.0290 1.0165 2.1971 2.0033 1.9962 1.7256 1.8748 1.0243 4.0320 1.0146 0.9957 3.7713 1.0360 3.9712 1.0076 1.0073 1.0048 3.9683 1.0089 1.0150 1.0040 3.7339 1.0118 3.6787 3.9573 1.0013 1.0029 1.0053 3.9473 1.0060 1.0087 1.0032 3.6324 1.0223 3.6413 3.9674 1.0010 1.0038 1.0092 3.9493 1.0008 1.0009 1.0043 1.0368 0.6332 3.7574 3.2204 3.9794 3.6743 4.0469 3.1383 3.8872 1.0164 1.0130 1.0240 3.8314 3.8100 1.0290 1.0165 2.1971 2.0033 1.9962 1.7256 1.8748 1.0243 4.0320 1.0146 0.9957 3.7713 1.0360 3.9712 1.0076 1.0073 1.0048 3.9683 1.0089 1.0150 1.0040 3.7339 1.0118 3.6787 3.9573 1.0013 1.0029 1.0053 3.9473 1.0060 1.0087 1.0032 3.6324 1.0223 3.6413 3.9674 1.0010 1.0038 1.0092 3.9493 1.0008 1.0009 1.0043 1.0368 0.6332 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.1313 0.8311 1.5454 1.0390 1.2695 0.9232 0.1217 1.8394 0.9417 0.9123 0.9724 0.8409 1.9127 0.8388 0.8088 1.0213 1.0115 0.8840 0.9630 1.4341 1.0079 1.0012 0.9031 0.8029 0.1942 0.1559 0.9305 0.1007 1.0091 1.0291 0.9215 1.0274 0.9316 0.9403 1.0084 1.0021 1.0125 1.0011 1.0021 1.0090 1.0304 1.8206 0.9726 0.9727 1.0038 1.0146 1.0009 1.0033 1.0140 1.0024 1.0223 1.5962 0.1877 0.9872 0.9904 0.1544 1.0042 1.0018 1.0027 1.0010 0.9906 1.0101 0 1 0 5 0 17 1 2 1 10 2 3 2 4 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 17 56 18 19 18 56 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 35 36 35 40 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 -1333.397262592 -1338.799992074 0.012138211 DLPNO BASED -0.218643039 -5.621372521 -1338.799992074 -1339.018635113 -1339.018635112760 189.82285 -192.47135 -2.64850 69.66152 -70.24775 -0.58622 79.12345 -79.18688 -0.06344 2.71335 6.89678