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:57C3C3C3CC3CCHHHC3CHHOO1OO1O3HCHHCHCHHHCHHHC3HC3CHHHCHHHC3HC3CHHHCHHHHAg/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;s17s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Method Hartree-Fock(GTOs) IntName Humulone_Ag_cisKeto_3 HFTyp RHF Charge 1 Mult 1 NEL 214 Dim 1282 ENuc 3063.1656455799 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 9.411e-06 Time for diagonalization 0.301 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.292 sec Total time needed 0.602 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:57C3C3C3CC3CCHHHC3CHHOO1OO1O3HCHHCHCHHHCHHHC3HC3CHHHCHHHC3HC3CHHHCHHHHAg/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;s17s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1333.39298026 3063.16564558 -4396.55862584 -7955.82089326 3559.26226743 -2576.73144095 1243.33846069 2.07242961 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 -563.8929 -563.7622 -563.7540 -562.5405 -562.3121 -312.7930 -312.2992 -312.1133 -311.9920 -311.5503 -309.6331 -309.3465 -308.8713 -308.7783 -308.7430 -308.4826 -308.3988 -308.2410 -308.2347 -308.1002 -307.9256 -307.7824 -307.6713 -307.6492 -307.4173 -307.3281 -122.4956 -80.5275 -80.5096 -80.4999 -42.8341 -42.7065 -42.1244 -41.0930 -40.9006 -34.4088 -33.2592 -33.0896 -32.5995 -31.8725 -31.7326 -29.9133 -29.3451 -29.0011 -28.4484 -28.1272 -27.7329 -27.0719 -26.6980 -26.4156 -25.7162 -25.4155 -24.3689 -23.9190 -23.5246 -22.9882 -22.4146 -22.1765 -21.9313 -21.4980 -21.2231 -20.8065 -20.7794 -20.4959 -20.1801 -20.0194 -19.9954 -19.7970 -19.5659 -19.4018 -19.1700 -19.0388 -18.9515 -18.8465 -18.7704 -18.7216 -18.6130 -18.5388 -18.4065 -18.2201 -18.1860 -17.9459 -17.9194 -17.7046 -17.6637 -17.3396 -17.2678 -17.2003 -17.1550 -17.0470 -16.9957 -16.9644 -16.6495 -16.6158 -16.5611 -16.3747 -15.8452 -15.6869 -15.5287 -15.3751 -15.2707 -15.2278 -15.0219 -14.5494 -13.1160 -12.3680 -11.9019 -3.2827 -1.3725 -1.1428 -0.8240 -0.2450 -0.1241 0.1845 1.0782 1.3797 1.5194 1.6008 1.8057 1.9212 2.1585 2.2335 2.3785 2.4504 2.6462 2.7979 2.9918 3.0663 3.1197 3.2077 3.2942 3.4854 3.5154 3.5756 3.8021 3.8473 4.1186 4.2317 4.2848 4.3486 4.4852 4.5616 4.6385 4.7682 4.8802 4.9331 4.9862 5.0745 5.1582 5.2668 5.3469 5.3827 5.5058 5.6156 5.6310 5.8081 5.8651 5.9301 6.0636 6.2885 6.3301 6.4789 6.7658 6.7827 7.0238 7.1131 7.2689 7.3025 7.5738 7.6566 7.7955 7.9039 8.0924 8.1412 8.2282 8.3332 8.4561 8.6662 8.8807 9.0633 9.1296 9.2821 9.4599 9.4772 9.5597 9.6720 9.7858 9.9488 10.1382 10.1681 10.3015 10.4464 10.5918 10.6769 10.7141 10.8095 10.9783 11.0254 11.1561 11.2707 11.3714 11.4100 11.5483 11.6448 11.7584 11.8773 12.0200 12.1248 12.2161 12.2606 12.3774 12.4439 12.4999 12.6103 12.7645 12.7839 12.8808 13.0566 13.1351 13.2205 13.3069 13.4532 13.5643 13.6265 13.8272 13.8847 14.0467 14.1052 14.1521 14.2326 14.3198 14.3414 14.4119 14.5330 14.6340 14.7465 14.7846 14.8640 14.9502 15.0094 15.0757 15.1283 15.2416 15.3454 15.5141 15.5654 15.6285 15.6820 15.8493 15.9780 16.0475 16.1718 16.2012 16.2927 16.4601 16.6034 16.6497 16.7630 16.8473 17.0627 17.0856 17.2756 17.3552 17.5840 17.5989 17.8010 17.8413 18.0230 18.0510 18.1392 18.1999 18.2561 18.4442 18.6315 18.7238 18.7806 19.0745 19.1449 19.3864 19.4931 19.6527 19.7358 19.8766 19.9433 20.0763 20.2411 20.3549 20.4500 20.5379 20.7522 20.8254 20.9123 21.1931 21.3552 21.5194 21.6658 21.6977 21.7997 21.9405 22.1196 22.2752 22.4766 22.8009 22.8565 22.9775 23.2114 23.4597 23.5613 23.7816 23.8200 24.0921 24.1213 24.2787 24.4289 24.5649 24.6157 24.7435 24.8380 25.1537 25.2379 25.4168 25.7457 25.7884 25.9437 26.1410 26.5200 26.5645 26.6533 26.8305 26.9032 27.0901 27.3687 27.5052 27.6496 27.6632 27.8153 27.9418 28.0300 28.1874 28.2504 28.3381 28.3874 28.6617 28.7122 28.8195 28.8916 29.0402 29.1748 29.2287 29.3241 29.4836 29.5998 29.6930 29.9185 30.0017 30.1159 30.3266 30.4538 30.5733 30.7500 30.8234 30.8368 31.1574 31.2918 31.3463 31.4333 31.5375 31.5918 31.7510 31.9078 31.9894 32.0292 32.4206 32.4691 32.5729 32.7950 32.9115 33.0553 33.1878 33.2978 33.4776 33.5475 33.5972 33.7879 33.8097 33.8603 33.9959 34.1322 34.2866 34.4263 34.5320 34.5653 34.6948 35.0292 35.1620 35.1885 35.4612 35.5148 35.6226 35.8708 35.9222 36.1416 36.2434 36.4111 36.4922 36.6993 36.8791 36.8836 37.0561 37.2339 37.3942 37.5517 37.6624 37.7786 37.9465 38.2670 38.3185 38.3860 38.5592 38.7006 38.8293 38.8931 39.0083 39.2778 39.6461 39.7260 39.7540 39.8802 40.0719 40.1447 40.2659 40.3867 40.5587 40.6904 40.8338 40.9382 41.0751 41.1910 41.2621 41.3964 41.4403 41.6058 41.7519 41.9209 42.0074 42.1518 42.1841 42.2832 42.6124 42.7155 42.7794 43.0749 43.2713 43.3426 43.3811 43.5181 43.7418 43.8892 44.0116 44.0498 44.1047 44.1888 44.3867 44.4137 44.5725 44.7076 44.7558 44.9384 44.9949 45.2242 45.3772 45.3968 45.5274 45.6337 45.6850 45.8767 45.9471 45.9981 46.0610 46.3490 46.4610 46.5837 46.6381 46.7574 46.7867 47.0216 47.1518 47.2128 47.2644 47.3336 47.5270 47.5507 47.6545 47.7703 47.9152 48.1155 48.2057 48.2783 48.3561 48.4598 48.6655 48.7182 48.8223 49.0718 49.1269 49.1769 49.4856 49.6274 49.7677 49.8842 49.9586 50.1839 50.3263 50.5877 50.6317 50.6871 50.9840 51.2438 51.3421 51.5692 51.6802 51.8698 51.9506 51.9760 52.1575 52.4725 52.8321 53.0061 53.1288 53.3523 53.6438 53.8216 53.9956 54.1128 54.5448 54.8320 55.3534 55.4997 55.6128 55.7097 55.9979 56.1138 56.3616 56.6056 56.8506 57.2201 57.4475 57.8340 57.9884 58.5244 58.8380 59.0281 59.0800 59.4795 59.5420 59.9852 60.0679 60.3201 60.4705 60.5959 60.7812 60.8675 61.0382 61.3708 61.4438 61.4791 61.7243 62.1398 62.2196 62.3472 62.6938 62.8616 62.8967 63.1023 63.2544 63.5020 63.7091 63.7928 63.9943 64.2925 64.4270 64.4904 64.7117 64.9595 65.2146 65.4294 65.5425 65.7567 65.9013 66.1971 66.5330 66.9315 66.9612 67.0813 67.2826 67.7150 67.9234 68.0357 68.2351 68.3363 68.6515 68.8502 69.0834 69.6033 69.7813 69.8251 70.4754 70.7422 70.8480 71.3003 71.4432 71.5839 72.3807 72.4757 72.8274 72.9074 73.4766 73.6393 73.7302 73.8408 74.0780 74.2826 74.4580 74.5779 74.6222 74.8339 75.0157 75.2086 75.3564 75.3960 75.6249 75.8275 76.0088 76.2006 76.4617 76.6907 76.7839 77.0803 77.0924 77.4600 77.5490 77.5846 77.7766 77.9820 78.3145 78.3783 78.8831 78.9202 79.0560 79.1749 79.3764 79.6483 79.7140 79.9139 80.1477 80.4001 80.7296 80.7969 80.9913 81.0667 81.1890 81.3729 81.4893 81.7183 81.7488 81.9267 82.0406 82.2054 82.3003 82.3349 82.5609 82.7568 82.7848 83.0165 83.0600 83.1843 83.2821 83.4254 83.5093 83.6222 83.6461 83.8460 83.8643 84.0132 84.1486 84.3439 84.5586 84.6060 84.9268 84.9797 85.1839 85.3266 85.5247 85.5758 85.6587 85.9863 86.1059 86.1403 86.3232 86.4172 86.5854 86.7149 86.9186 87.0724 87.1394 87.1778 87.3580 87.5158 87.6421 87.7927 88.0704 88.1394 88.2343 88.2949 88.5031 88.5718 88.6803 88.7883 88.9405 89.0015 89.0567 89.1831 89.2500 89.4800 89.6257 89.6448 89.7375 89.9327 90.0992 90.1309 90.3581 90.4908 90.5526 90.7790 90.8574 91.0137 91.1882 91.3686 91.5594 91.6262 91.7204 91.7855 91.9762 92.0699 92.2865 92.3746 92.4240 92.6033 92.7666 92.8232 92.8970 92.9350 93.2956 93.3753 93.4452 93.5519 93.7350 93.8907 93.9903 94.1602 94.3015 94.4150 94.5415 94.5640 94.6829 94.9268 95.0963 95.1811 95.4508 95.5486 95.5904 95.8342 95.9181 95.9919 96.1005 96.2922 96.3267 96.4792 96.6207 96.7321 96.8729 96.9942 97.1650 97.2204 97.3695 97.5036 97.5986 97.6456 97.8679 97.9668 98.1272 98.1653 98.3526 98.5489 98.6571 98.7441 98.8501 98.9129 99.1419 99.2365 99.3857 99.4544 99.5819 99.7060 99.8269 99.9190 99.9840 100.2938 100.4486 100.6252 100.8357 100.9331 100.9536 101.0049 101.1723 101.4073 101.4755 101.6059 101.7397 101.8123 101.9329 102.1026 102.1877 102.2962 102.4554 102.5920 102.6541 102.8518 102.8786 103.0942 103.1775 103.3315 103.4872 103.4986 103.6502 103.7119 103.8952 103.9663 104.0858 104.1727 104.2294 104.4937 104.6484 104.8406 104.9199 105.1180 105.2718 105.3190 105.4178 105.5387 105.7116 105.7680 105.9447 106.0665 106.1721 106.3316 106.5406 106.6128 106.6725 106.8311 106.9380 107.2166 107.3008 107.4320 107.5876 107.7114 107.9704 108.0673 108.3312 108.3572 108.5971 108.6757 108.8689 109.0781 109.4216 109.4324 109.4524 109.6102 109.6784 110.0171 110.0823 110.2898 110.3871 110.5269 110.8739 110.9288 111.2234 111.3243 111.3934 111.5034 111.8460 111.8777 112.0526 112.2182 112.2573 112.3431 112.4406 112.5752 112.6700 112.8648 112.9505 113.0945 113.1770 113.3471 113.4417 113.4905 113.6706 113.7119 113.9285 114.0067 114.1237 114.4255 114.4720 114.7343 114.8728 115.0064 115.0691 115.1717 115.2202 115.3134 115.5064 115.7539 116.0992 116.1575 116.3070 116.4215 116.6733 116.7327 116.8460 116.9565 117.0894 117.2299 117.4649 117.5975 117.6275 117.9131 117.9787 118.0059 118.1223 118.2661 118.4256 118.4801 118.5192 118.7367 118.8097 118.8654 119.0392 119.2062 119.3717 119.5295 119.6487 119.8018 119.8809 120.0315 120.0773 120.2805 120.3510 120.4133 120.5877 120.7227 120.8167 120.8859 121.0185 121.2423 121.3030 121.3992 121.4656 121.5642 121.7137 121.7889 122.0573 122.0721 122.2883 122.4758 122.5169 122.6938 122.9927 123.0330 123.0537 123.4234 123.5364 123.8448 124.0225 124.1202 124.1697 124.6999 124.8799 125.0585 125.1592 125.2864 125.4256 125.4705 125.6029 125.7034 126.0645 126.0948 126.2522 126.4678 126.5207 126.8334 127.1040 127.3183 127.4325 127.5163 127.8533 127.9774 128.0799 128.2576 128.6444 128.8783 129.0015 129.2477 129.4605 129.7146 129.9909 130.2152 130.3753 130.6354 130.7816 130.9866 131.2128 131.3361 131.4227 131.5919 131.7761 132.0287 132.2180 132.3687 132.7141 132.8475 133.0124 133.1493 133.3576 133.5970 133.6749 133.8842 133.9323 134.2647 134.3587 134.5799 134.6737 134.7563 134.8619 135.1422 135.1793 135.2912 135.5271 135.8128 135.8652 136.0997 136.2192 136.4504 136.5788 137.0001 137.4933 137.5202 137.8757 138.1837 138.3996 138.6476 138.6825 139.0747 139.2045 139.3667 139.5315 139.7729 139.9069 140.1840 140.4031 140.7671 141.3183 141.5715 141.6560 141.8178 141.9956 142.1888 142.5504 142.7244 142.8572 143.0290 143.4728 143.6190 143.8788 144.1592 144.3588 144.4587 144.9106 145.0212 145.2373 145.5565 145.7888 145.8523 145.9183 146.0623 146.3253 146.5996 146.6404 146.7480 146.8556 146.9145 147.2638 147.4156 147.4574 147.8109 148.0039 148.1655 148.6915 149.0841 149.2260 149.3560 149.5672 149.7999 149.9384 150.0067 150.1164 150.3755 150.4074 150.5510 150.7229 150.7853 150.9853 151.0620 151.5279 151.7398 151.8216 152.0632 152.1733 152.3525 152.4158 152.6094 152.6940 152.8207 153.1331 153.3425 153.5342 153.6851 153.7964 153.8943 154.1169 154.2609 154.4763 154.6510 154.7277 154.9405 155.2271 155.5617 155.5900 155.7801 156.1012 156.3089 156.6292 156.7038 156.8480 157.3869 157.4245 157.6448 157.9296 158.0408 158.3783 158.7959 158.9769 159.0783 159.4068 159.5476 159.8568 160.3261 160.4146 160.4982 161.0159 161.2200 161.2430 161.2489 161.2664 161.3079 161.3290 161.3792 161.4174 161.4312 161.5031 161.7321 161.7530 162.0565 162.0997 162.1680 162.4421 162.5094 162.7920 163.0311 163.1099 163.5458 163.6218 164.0042 164.0653 164.4155 164.5992 164.8432 165.0286 165.2418 165.3943 165.5940 165.8173 166.1467 166.3975 166.5347 167.3464 167.6111 168.0823 169.9883 171.0901 171.3449 172.4607 173.1929 174.4372 175.8012 176.6622 178.4891 179.0055 182.2589 182.3410 183.8204 183.9485 185.2901 186.6374 187.2790 188.2232 188.6192 189.3952 190.1268 191.8273 192.2382 192.3247 193.6190 196.5499 196.8501 197.2273 197.5559 198.2089 198.3333 198.9318 199.7736 200.0541 202.2579 203.6260 204.5344 204.7613 205.6947 206.2339 207.1011 208.8319 209.7678 210.7717 215.0013 216.0002 222.3261 645.8417 648.4384 649.4990 653.1742 659.5746 660.3127 661.5837 661.9851 662.8268 665.7398 666.9177 667.2868 667.9566 668.4125 670.3498 670.5963 671.7494 672.4180 674.6710 676.6991 677.2562 927.9631 1238.3242 1240.9172 1243.6539 1246.3441 1248.9652 3025.2116 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 0.223697 -0.254365 0.243414 0.300385 0.068034 0.812613 -0.085150 0.123141 0.110600 0.110110 0.357431 -0.125916 0.106048 0.123750 -0.364149 -0.515903 -0.565695 -0.540817 -0.595165 0.299633 -0.159282 0.112856 0.109305 0.112476 0.021765 -0.239367 0.069317 0.074905 0.075123 -0.218085 0.084091 0.077340 0.042932 -0.209315 0.057876 -0.008351 -0.185165 0.059628 0.079599 0.097145 -0.163556 0.052888 0.064149 0.091727 -0.265628 0.082427 0.092033 -0.191253 0.079391 0.071210 0.092465 -0.239946 0.113947 0.060535 0.073756 0.302766 0.796598 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 -0.205538 -0.142089 -0.174542 -0.030435 -0.121259 -0.188915 0.017766 0.031696 0.029801 0.057429 -0.050728 0.021665 0.032759 0.038606 0.397014 0.130967 0.127559 0.087347 0.305547 -0.116079 0.012865 0.035841 0.034665 -0.082379 0.019256 0.032401 0.013724 0.011155 0.013448 0.023698 0.016279 0.012422 0.001970 -0.046828 0.005576 -0.074177 0.034191 0.015092 0.011294 0.022865 0.033910 0.016126 0.012644 0.020978 -0.047432 0.010344 -0.064218 0.040035 0.020037 0.017844 0.021702 0.035201 0.026484 0.008178 0.021396 -0.149694 0.614533 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 5.7763 6.2544 5.7566 5.6996 5.9320 5.1874 6.0851 0.8769 0.8894 0.8899 5.6426 6.1259 0.8940 0.8763 8.3641 8.5159 8.5657 8.5408 8.5952 0.7004 6.1593 0.8871 0.8907 5.8875 0.9782 6.2394 0.9307 0.9251 0.9249 6.2181 0.9159 0.9227 0.9571 6.2093 0.9421 6.0084 6.1852 0.9404 0.9204 0.9029 6.1636 0.9471 0.9359 0.9083 6.2656 0.9176 5.9080 6.1913 0.9206 0.9288 0.9075 6.2399 0.8861 0.9395 0.9262 0.6972 18.2034 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 0.2237 -0.2544 0.2434 0.3004 0.0680 0.8126 -0.0851 0.1231 0.1106 0.1101 0.3574 -0.1259 0.1060 0.1237 -0.3641 -0.5159 -0.5657 -0.5408 -0.5952 0.2996 -0.1593 0.1129 0.1093 0.1125 0.0218 -0.2394 0.0693 0.0749 0.0751 -0.2181 0.0841 0.0773 0.0429 -0.2093 0.0579 -0.0084 -0.1852 0.0596 0.0796 0.0971 -0.1636 0.0529 0.0641 0.0917 -0.2656 0.0824 0.0920 -0.1913 0.0794 0.0712 0.0925 -0.2399 0.1139 0.0605 0.0738 0.3028 0.7966 3.9257 3.2815 4.0255 3.6274 3.9961 3.1628 3.8313 1.0117 1.0194 1.0342 3.7630 3.8497 1.0208 1.0187 2.1690 1.9383 1.8438 1.9045 1.7848 0.9982 3.8886 1.0196 1.0105 3.7523 1.0388 3.9764 1.0058 1.0050 1.0071 3.9611 1.0155 1.0022 1.0016 3.7212 1.0209 3.6899 3.9609 0.9985 1.0077 1.0035 3.9538 0.9958 1.0058 1.0060 3.7285 1.0170 3.6405 3.9584 1.0062 1.0071 1.0016 4.0018 1.0044 1.0042 1.0040 1.0327 0.3315 3.9257 3.2815 4.0255 3.6274 3.9961 3.1628 3.8313 1.0117 1.0194 1.0342 3.7630 3.8497 1.0208 1.0187 2.1690 1.9383 1.8438 1.9045 1.7848 0.9982 3.8886 1.0196 1.0105 3.7523 1.0388 3.9764 1.0058 1.0050 1.0071 3.9611 1.0155 1.0022 1.0016 3.7212 1.0209 3.6899 3.9609 0.9985 1.0077 1.0035 3.9538 0.9958 1.0058 1.0060 3.7285 1.0170 3.6405 3.9584 1.0062 1.0071 1.0016 4.0018 1.0044 1.0042 1.0040 1.0327 0.3315 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1025 0.1263 0.8594 1.7704 1.0680 1.2705 0.9402 1.7389 0.9464 0.8697 0.9793 0.8436 1.6396 0.6535 0.8457 1.0216 1.0224 0.8708 0.9724 1.3937 1.0146 0.9975 0.9027 0.8207 0.1786 0.1702 0.8803 0.1461 1.0092 1.0112 0.8714 1.0260 0.9288 0.9359 1.0015 1.0144 1.0077 1.0005 1.0133 1.0070 1.0301 1.8282 0.9644 0.9692 1.0035 1.0204 1.0003 1.0001 1.0177 1.0032 1.0170 1.7920 0.9562 0.9632 0.9983 1.0133 0.9976 0.9964 1.0247 1.0020 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 16 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 46 47 46 51 47 48 47 49 47 50 51 52 51 53 51 54 -1333.392980215 -1338.791344694 0.012298301 DLPNO BASED -0.218061086 -5.616425565 -1338.791344694 -1339.009405780 -1339.009405780397 302.18699 -304.51555 -2.32857 -17.87370 17.61193 -0.26177 -61.91968 62.65874 0.73906 2.45702 6.24526