/usr/share/psi/basis/mar-cc-pv6z.gbs is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 | spherical
!
! cc-pV6Z EMSL Basis Set Exchange Library 8/12/10 2:32 AM
! Elements References
! -------- ----------
! H: K.A. Peterson, D.E. Woon and T. H. Dunning, Jr., (to be published).
! B - Ne: A. K. Wilson, T. v. Mourik and T. H. Dunning, Jr., J. Mol. Struct.
! (THEOCHEM) 388, 339 (1997).
! S: J.G. Hill, S. Mazumder, and K.A. Peterson, Correlation consistent basis sets
! for molecular core-valence effects with explicitly correlated wave functions:
! the atoms B-Ne and Al-Ar, Journal of Chemical Physics 132, 054108 (2010).
!
!
! aug-cc-pV6Z Diffuse EMSL Basis Set Exchange Library 8/19/10 12:11 PM
! Elements References
! -------- ---------
! H : K.A. Peterson, D.E. Woon (unpublished)
! B - O: A.K. Wilson, T. van Mourik and T.H. Dunning, Jr. J. Mol. Struct.
! (THEOCHEM) 388, 339 (1997).
! Cl:
!
!
! merged from cc-pv6z.gbs and hold-diffuse-mar-cc-pv6z.gbs at Sun, 02:40 Aug 14, 2011
!
****
H 0
S 5 1.00
1776.7755600 0.0000440
254.0177120 0.0003720
54.6980390 0.0020940
15.0183440 0.0088630
4.91507800 0.0305400
S 1 1.00
1.79492400 1.0000000
S 1 1.00
0.71071600 1.0000000
S 1 1.00
0.30480200 1.0000000
S 1 1.00
0.13804600 1.0000000
S 1 1.00
0.06215700 1.0000000
P 1 1.00
8.6490000 1.0000000
P 1 1.00
3.4300000 1.0000000
P 1 1.00
1.3600000 1.0000000
P 1 1.00
0.5390000 1.0000000
P 1 1.00
0.2140000 1.0000000
D 1 1.00
4.4530000 1.0000000
D 1 1.00
1.9580000 1.0000000
D 1 1.00
0.8610000 1.0000000
D 1 1.00
0.3780000 1.0000000
F 1 1.00
4.1000000 1.0000000
F 1 1.00
1.7800000 1.0000000
F 1 1.00
0.7730000 1.0000000
G 1 1.00
3.1990000 1.0000000
G 1 1.00
1.3260000 1.0000000
H 1 1.00
2.6530000 1.0000000
****
He 0
S 5 1.00
4785.0000000 0.0000006
717.0000000 0.0000047
163.2000000 0.0000244
46.2600000 0.0001012
15.1000000 0.0003486
S 1 1.00
5.4370000 1.0000000
S 1 1.00
2.0880000 1.0000000
S 1 1.00
0.8297000 1.0000000
S 1 1.00
0.3366000 1.0000000
S 1 1.00
0.1369000 1.0000000
P 1 1.00
0.3870000 1.0000000
P 1 1.00
0.9840000 1.0000000
P 1 1.00
2.4980000 1.0000000
P 1 1.00
6.3420000 1.0000000
P 1 1.00
16.1040000 1.0000000
D 1 1.00
0.7470000 1.0000000
D 1 1.00
1.9100000 1.0000000
D 1 1.00
4.8860000 1.0000000
D 1 1.00
12.4980000 1.0000000
F 1 1.00
1.2920000 1.0000000
F 1 1.00
3.4620000 1.0000000
F 1 1.00
9.2760000 1.0000000
G 1 1.00
2.2360000 1.0000000
G 1 1.00
6.5860000 1.0000000
H 1 1.00
4.1590000 1.0000000
****
B 0
S 11 1.00
210400.0000000 0.00000583
31500.0000000 0.00004532
7169.0000000 0.00023838
2030.0000000 0.00100570
662.5000000 0.00364496
239.2000000 0.01173628
93.2600000 0.03380702
38.6400000 0.08556593
16.7800000 0.18260322
7.5410000 0.30583760
3.4820000 0.34080347
S 11 1.00
210400.0000000 -0.00000118
31500.0000000 -0.00000915
7169.0000000 -0.00004819
2030.0000000 -0.00020306
662.5000000 -0.00073917
239.2000000 -0.00238603
93.2600000 -0.00698654
38.6400000 -0.01811594
16.7800000 -0.04123129
7.5410000 -0.07781353
3.4820000 -0.12123181
S 1 1.00
1.6180000 1.0000000
S 1 1.00
0.6270000 1.0000000
S 1 1.00
0.2934000 1.0000000
S 1 1.00
0.1310000 1.0000000
S 1 1.00
0.0581500 1.0000000
P 5 1.00
192.5000000 0.00013490
45.6400000 0.00114741
14.7500000 0.00584793
5.5030000 0.02117091
2.2220000 0.06266872
P 1 1.00
0.9590000 1.0000000
P 1 1.00
0.4314000 1.0000000
P 1 1.00
0.1969000 1.0000000
P 1 1.00
0.0903300 1.0000000
P 1 1.00
0.0406600 1.0000000
D 1 1.00
2.8860000 1.0000000
D 1 1.00
1.2670000 1.0000000
D 1 1.00
0.5560000 1.0000000
D 1 1.00
0.2440000 1.0000000
D 1 1.00
0.1070000 1.0000000
F 1 1.00
1.6510000 1.0000000
F 1 1.00
0.8002000 1.0000000
F 1 1.00
0.3878000 1.0000000
F 1 1.00
0.1880000 1.0000000
G 1 1.00
1.6469000 1.0000000
G 1 1.00
0.7889000 1.0000000
G 1 1.00
0.3779000 1.0000000
H 1 1.00
1.3120000 1.0000000
H 1 1.00
0.5806000 1.0000000
I 1 1.00
0.9847000 1.0000000
S 1 1.00
0.0230000 1.0000000
P 1 1.00
0.0136500 1.0000000
D 1 1.00
0.0392000 1.0000000
****
C 0
S 11 1.00
312100.0000000 0.00000567
46740.0000000 0.00004410
10640.0000000 0.00023190
3013.0000000 0.00097897
982.8000000 0.00355163
354.8000000 0.01144061
138.4000000 0.03299855
57.3500000 0.08405347
24.9200000 0.18067613
11.2300000 0.30491140
5.2010000 0.34141570
S 11 1.00
312100.0000000 -0.00000121
46740.0000000 -0.00000939
10640.0000000 -0.00004947
3013.0000000 -0.00020857
982.8000000 -0.00076015
354.8000000 -0.00245469
138.4000000 -0.00720153
57.3500000 -0.01880742
24.9200000 -0.04325001
11.2300000 -0.08259733
5.2010000 -0.12857592
S 1 1.00
2.4260000 1.0000000
S 1 1.00
0.9673000 1.0000000
S 1 1.00
0.4456000 1.0000000
S 1 1.00
0.1971000 1.0000000
S 1 1.00
0.0863500 1.0000000
P 5 1.00
295.2000000 0.00014249
69.9800000 0.00122010
22.6400000 0.00633696
8.4850000 0.02351875
3.4590000 0.06990447
P 1 1.00
1.5040000 1.0000000
P 1 1.00
0.6783000 1.0000000
P 1 1.00
0.3087000 1.0000000
P 1 1.00
0.1400000 1.0000000
P 1 1.00
0.0617800 1.0000000
D 1 1.00
4.5420000 1.0000000
D 1 1.00
1.9790000 1.0000000
D 1 1.00
0.8621000 1.0000000
D 1 1.00
0.3756000 1.0000000
D 1 1.00
0.1636000 1.0000000
F 1 1.00
2.6310000 1.0000000
F 1 1.00
1.2550000 1.0000000
F 1 1.00
0.5988000 1.0000000
F 1 1.00
0.2857000 1.0000000
G 1 1.00
2.6520000 1.0000000
G 1 1.00
1.2040000 1.0000000
G 1 1.00
0.5470000 1.0000000
H 1 1.00
2.0300000 1.0000000
H 1 1.00
0.8511000 1.0000000
I 1 1.00
1.4910000 1.0000000
S 1 1.00
0.0354000 1.0000000
P 1 1.00
0.0237600 1.0000000
D 1 1.00
0.0636000 1.0000000
****
N 0
S 11 1.00
432300.0000000 0.00000559
64700.0000000 0.00004351
14720.0000000 0.00022893
4170.0000000 0.00096502
1361.0000000 0.00350219
491.2000000 0.01129212
191.6000000 0.03261283
79.4100000 0.08329727
34.5300000 0.17998566
15.5800000 0.30500351
7.2320000 0.34115932
S 11 1.00
432300.0000000 -0.00000123
64700.0000000 -0.00000958
14720.0000000 -0.00005051
4170.0000000 -0.00021264
1361.0000000 -0.00077534
491.2000000 -0.00250624
191.6000000 -0.00736529
79.4100000 -0.01930167
34.5300000 -0.04471738
15.5800000 -0.08606647
7.2320000 -0.13329627
S 1 1.00
3.3820000 1.0000000
S 1 1.00
1.3690000 1.0000000
S 1 1.00
0.6248000 1.0000000
S 1 1.00
0.2747000 1.0000000
S 1 1.00
0.1192000 1.0000000
P 5 1.00
415.9000000 0.00014841
98.6100000 0.00127634
31.9200000 0.00670242
12.0000000 0.02526170
4.9190000 0.07518943
P 1 1.00
2.1480000 1.0000000
P 1 1.00
0.9696000 1.0000000
P 1 1.00
0.4399000 1.0000000
P 1 1.00
0.1978000 1.0000000
P 1 1.00
0.0860300 1.0000000
D 1 1.00
6.7170000 1.0000000
D 1 1.00
2.8960000 1.0000000
D 1 1.00
1.2490000 1.0000000
D 1 1.00
0.5380000 1.0000000
D 1 1.00
0.2320000 1.0000000
F 1 1.00
3.8290000 1.0000000
F 1 1.00
1.7950000 1.0000000
F 1 1.00
0.8410000 1.0000000
F 1 1.00
0.3940000 1.0000000
G 1 1.00
3.8560000 1.0000000
G 1 1.00
1.7020000 1.0000000
G 1 1.00
0.7510000 1.0000000
H 1 1.00
2.8750000 1.0000000
H 1 1.00
1.1700000 1.0000000
I 1 1.00
2.0990000 1.0000000
S 1 1.00
0.0471400 1.0000000
P 1 1.00
0.0315000 1.0000000
D 1 1.00
0.0874000 1.0000000
****
O 0
S 11 1.00
570800.0000000 0.00000555
85480.0000000 0.00004311
19460.0000000 0.00022667
5512.0000000 0.00095637
1798.0000000 0.00347320
648.9000000 0.01119778
253.1000000 0.03238766
104.9000000 0.08285977
45.6500000 0.17958381
20.6200000 0.30522110
9.5870000 0.34089349
S 11 1.00
570800.0000000 -0.00000126
85480.0000000 -0.00000977
19460.0000000 -0.00005148
5512.0000000 -0.00021696
1798.0000000 -0.00079162
648.9000000 -0.00255900
253.1000000 -0.00753313
104.9000000 -0.01978897
45.6500000 -0.04606288
20.6200000 -0.08919560
9.5870000 -0.13754216
S 1 1.00
4.4930000 1.0000000
S 1 1.00
1.8370000 1.0000000
S 1 1.00
0.8349000 1.0000000
S 1 1.00
0.3658000 1.0000000
S 1 1.00
0.1570000 1.0000000
P 5 1.00
525.6000000 0.00016664
124.6000000 0.00143336
40.3400000 0.00754762
15.1800000 0.02859456
6.2450000 0.08438858
P 1 1.00
2.7320000 1.0000000
P 1 1.00
1.2270000 1.0000000
P 1 1.00
0.5492000 1.0000000
P 1 1.00
0.2418000 1.0000000
P 1 1.00
0.1025000 1.0000000
D 1 1.00
8.2530000 1.0000000
D 1 1.00
3.5970000 1.0000000
D 1 1.00
1.5680000 1.0000000
D 1 1.00
0.6840000 1.0000000
D 1 1.00
0.2980000 1.0000000
F 1 1.00
5.4300000 1.0000000
F 1 1.00
2.4160000 1.0000000
F 1 1.00
1.0750000 1.0000000
F 1 1.00
0.4780000 1.0000000
G 1 1.00
5.2110000 1.0000000
G 1 1.00
2.1900000 1.0000000
G 1 1.00
0.9200000 1.0000000
H 1 1.00
3.8720000 1.0000000
H 1 1.00
1.5050000 1.0000000
I 1 1.00
2.7730000 1.0000000
S 1 1.00
0.0593500 1.0000000
P 1 1.00
0.0338000 1.0000000
D 1 1.00
0.1150000 1.0000000
****
F 0
S 11 1.00
723500.0000000 0.00000556
108400.0000000 0.00004318
24680.0000000 0.00022700
6990.0000000 0.00095803
2282.0000000 0.00347015
824.6000000 0.01118526
321.8000000 0.03232880
133.5000000 0.08279545
58.1100000 0.17988024
26.2800000 0.30557831
12.2400000 0.34026839
S 11 1.00
723500.0000000 -0.00000129
108400.0000000 -0.00000999
24680.0000000 -0.00005260
6990.0000000 -0.00022172
2282.0000000 -0.00080692
824.6000000 -0.00260817
321.8000000 -0.00767402
133.5000000 -0.02019353
58.1100000 -0.04718752
26.2800000 -0.09158009
12.2400000 -0.14048558
S 1 1.00
5.7470000 1.0000000
S 1 1.00
2.3650000 1.0000000
S 1 1.00
1.0710000 1.0000000
S 1 1.00
0.4681000 1.0000000
S 1 1.00
0.1994000 1.0000000
P 5 1.00
660.0000000 0.00017721
156.4000000 0.00152691
50.6400000 0.00807207
19.0800000 0.03074021
7.8720000 0.09011914
P 1 1.00
3.4490000 1.0000000
P 1 1.00
1.5450000 1.0000000
P 1 1.00
0.6864000 1.0000000
P 1 1.00
0.2986000 1.0000000
P 1 1.00
0.1245000 1.0000000
D 1 1.00
10.5730000 1.0000000
D 1 1.00
4.6130000 1.0000000
D 1 1.00
2.0130000 1.0000000
D 1 1.00
0.8780000 1.0000000
D 1 1.00
0.3830000 1.0000000
F 1 1.00
7.5630000 1.0000000
F 1 1.00
3.3300000 1.0000000
F 1 1.00
1.4660000 1.0000000
F 1 1.00
0.6450000 1.0000000
G 1 1.00
6.7350000 1.0000000
G 1 1.00
2.7830000 1.0000000
G 1 1.00
1.1500000 1.0000000
H 1 1.00
5.0880000 1.0000000
H 1 1.00
1.9370000 1.0000000
I 1 1.00
3.5810000 1.0000000
S 1 1.00
0.0731500 1.0000000
P 1 1.00
0.0476000 1.0000000
D 1 1.00
0.1510000 1.0000000
****
Ne 0
S 11 1.00
902400.0000000 0.00000551
135100.0000000 0.00004282
30750.0000000 0.00022514
8710.0000000 0.00095016
2842.0000000 0.00344719
1026.0000000 0.01112545
400.1000000 0.03220568
165.9000000 0.08259891
72.2100000 0.17990564
32.6600000 0.30605208
15.2200000 0.34012559
S 11 1.00
902400.0000000 -0.00000129
135100.0000000 -0.00001005
30750.0000000 -0.00005293
8710.0000000 -0.00022312
2842.0000000 -0.00081338
1026.0000000 -0.00263230
400.1000000 -0.00775910
165.9000000 -0.02045277
72.2100000 -0.04797505
32.6600000 -0.09340086
15.2200000 -0.14277215
S 1 1.00
7.1490000 1.0000000
S 1 1.00
2.9570000 1.0000000
S 1 1.00
1.3350000 1.0000000
S 1 1.00
0.5816000 1.0000000
S 1 1.00
0.2463000 1.0000000
P 5 1.00
815.6000000 0.00018376
193.3000000 0.00158509
62.6000000 0.00841464
23.6100000 0.03220033
9.7620000 0.09396390
P 1 1.00
4.2810000 1.0000000
P 1 1.00
1.9150000 1.0000000
P 1 1.00
0.8476000 1.0000000
P 1 1.00
0.3660000 1.0000000
P 1 1.00
0.1510000 1.0000000
D 1 1.00
13.3170000 1.0000000
D 1 1.00
5.8030000 1.0000000
D 1 1.00
2.5290000 1.0000000
D 1 1.00
1.1020000 1.0000000
D 1 1.00
0.4800000 1.0000000
F 1 1.00
10.3560000 1.0000000
F 1 1.00
4.5380000 1.0000000
F 1 1.00
1.9890000 1.0000000
F 1 1.00
0.8710000 1.0000000
G 1 1.00
8.3450000 1.0000000
G 1 1.00
3.4170000 1.0000000
G 1 1.00
1.3990000 1.0000000
H 1 1.00
6.5190000 1.0000000
H 1 1.00
2.4470000 1.0000000
I 1 1.00
4.4890000 1.0000000
S 1 1.00
0.0869000 1.0000000
P 1 1.00
0.0566000 1.0000000
D 1 1.00
0.1870000 1.0000000
****
Al 0
S 16 1.00
3652000.0000000 0.0000019
546800.0000000 0.0000145
124500.0000000 0.0000762
35440.0000000 0.0003158
11840.0000000 0.0010974
4434.0000000 0.0033697
1812.0000000 0.0093222
791.5000000 0.0237992
361.0000000 0.0568191
169.5000000 0.1224680
81.6800000 0.2238970
40.2800000 0.3134460
20.2500000 0.2749750
10.2300000 0.1105640
4.8020000 0.0119215
2.3390000 0.0006528
S 16 1.00
3652000.0000000 -0.0000005
546800.0000000 -0.0000038
124500.0000000 -0.0000198
35440.0000000 -0.0000821
11840.0000000 -0.0002858
4434.0000000 -0.0008785
1812.0000000 -0.0024482
791.5000000 -0.0063100
361.0000000 -0.0154854
169.5000000 -0.0349589
81.6800000 -0.0707729
40.2800000 -0.1194230
20.2500000 -0.1488420
10.2300000 -0.0590465
4.8020000 0.2166930
2.3390000 0.4765570
S 16 1.00
3652000.0000000 0.0000001
546800.0000000 0.0000009
124500.0000000 0.0000046
35440.0000000 0.0000190
11840.0000000 0.0000659
4434.0000000 0.0002031
1812.0000000 0.0005647
791.5000000 0.0014620
361.0000000 0.0035794
169.5000000 0.0081516
81.6800000 0.0165276
40.2800000 0.0285467
20.2500000 0.0361484
10.2300000 0.0153804
4.8020000 -0.0612141
2.3390000 -0.1512630
S 1 1.00
1.1630000 1.0000000
S 1 1.00
0.5882000 1.0000000
S 1 1.00
0.2311000 1.0000000
S 1 1.00
0.1027000 1.0000000
S 1 1.00
0.0452100 1.0000000
P 9 1.00
2884.0000000 0.0000638
683.2000000 0.0005631
222.0000000 0.0031691
84.8200000 0.0132401
35.8100000 0.0433403
16.2200000 0.1119500
7.7020000 0.2177960
3.7410000 0.3116750
1.8310000 0.3167220
P 9 1.00
2884.0000000 -0.0000080
683.2000000 -0.0000651
222.0000000 -0.0003999
84.8200000 -0.0015369
35.8100000 -0.0055644
16.2200000 -0.0131106
7.7020000 -0.0297200
3.7410000 -0.0347195
1.8310000 -0.0551621
P 1 1.00
0.8878000 1.0000000
P 1 1.00
0.3989000 1.0000000
P 1 1.00
0.1718000 1.0000000
P 1 1.00
0.0729800 1.0000000
P 1 1.00
0.0306900 1.0000000
D 1 1.00
2.2143000 1.0000000
D 1 1.00
0.9449000 1.0000000
D 1 1.00
0.4032000 1.0000000
D 1 1.00
0.1721000 1.0000000
D 1 1.00
0.0734300 1.0000000
F 1 1.00
0.8756000 1.0000000
F 1 1.00
0.4472000 1.0000000
F 1 1.00
0.2284000 1.0000000
F 1 1.00
0.1167000 1.0000000
G 1 1.00
0.6952000 1.0000000
G 1 1.00
0.3771000 1.0000000
G 1 1.00
0.2046000 1.0000000
H 1 1.00
0.6560000 1.0000000
H 1 1.00
0.3300000 1.0000000
I 1 1.00
0.5302000 1.0000000
S 1 1.00
0.0173700 1.0000000
P 1 1.00
0.0102100 1.0000000
D 1 1.00
0.0266600 1.0000000
****
Si 0
S 16 1.00
4465000.0000000 0.0000017
668500.0000000 0.0000136
152200.0000000 0.0000714
43300.0000000 0.0002973
14410.0000000 0.0010383
5394.0000000 0.0031747
2212.0000000 0.0087324
968.1000000 0.0223830
441.2000000 0.0537273
207.1000000 0.1166490
99.8000000 0.2159780
49.2400000 0.3095660
24.7400000 0.2839450
12.4700000 0.1222320
5.7950000 0.0141952
2.8300000 0.0003121
S 16 1.00
4465000.0000000 -0.0000005
668500.0000000 -0.0000036
152200.0000000 -0.0000190
43300.0000000 -0.0000791
14410.0000000 -0.0002769
5394.0000000 -0.0008472
2212.0000000 -0.0023478
968.1000000 -0.0060705
441.2000000 -0.0149711
207.1000000 -0.0339729
99.8000000 -0.0694584
49.2400000 -0.1190010
24.7400000 -0.1536450
12.4700000 -0.0704684
5.7950000 0.2131490
2.8300000 0.4915960
S 16 1.00
4465000.0000000 0.0000001
668500.0000000 0.0000009
152200.0000000 0.0000049
43300.0000000 0.0000203
14410.0000000 0.0000709
5394.0000000 0.0002172
2212.0000000 0.0006013
968.1000000 0.0015591
441.2000000 0.0038443
207.1000000 0.0087797
99.8000000 0.0180388
49.2400000 0.0315224
24.7400000 0.0416905
12.4700000 0.0200973
5.7950000 -0.0667484
2.8300000 -0.1819060
S 1 1.00
1.4070000 1.0000000
S 1 1.00
0.6995000 1.0000000
S 1 1.00
0.3083000 1.0000000
S 1 1.00
0.1385000 1.0000000
S 1 1.00
0.0614500 1.0000000
P 9 1.00
3572.0000000 0.0000599
846.0000000 0.0005296
274.8000000 0.0029958
105.0000000 0.0126335
44.3500000 0.0419044
20.0800000 0.1102590
9.5300000 0.2188310
4.6340000 0.3178280
2.2800000 0.3194250
P 9 1.00
3572.0000000 -0.0000128
846.0000000 -0.0001126
274.8000000 -0.0006402
105.0000000 -0.0027029
44.3500000 -0.0090789
20.0800000 -0.0242348
9.5300000 -0.0493460
4.6340000 -0.0725859
2.2800000 -0.0804258
P 1 1.00
1.1160000 1.0000000
P 1 1.00
0.4991000 1.0000000
P 1 1.00
0.2254000 1.0000000
P 1 1.00
0.1001000 1.0000000
P 1 1.00
0.0433200 1.0000000
D 1 1.00
3.2386000 1.0000000
D 1 1.00
1.3767000 1.0000000
D 1 1.00
0.5853000 1.0000000
D 1 1.00
0.2488000 1.0000000
D 1 1.00
0.1058000 1.0000000
F 1 1.00
1.3510000 1.0000000
F 1 1.00
0.6600000 1.0000000
F 1 1.00
0.3225000 1.0000000
F 1 1.00
0.1575000 1.0000000
G 1 1.00
0.8528000 1.0000000
G 1 1.00
0.4631000 1.0000000
G 1 1.00
0.2515000 1.0000000
H 1 1.00
0.8557000 1.0000000
H 1 1.00
0.4231000 1.0000000
I 1 1.00
0.6946000 1.0000000
S 1 1.00
0.0253900 1.0000000
P 1 1.00
0.0169400 1.0000000
D 1 1.00
0.0413900 1.0000000
****
P 0
S 16 1.00
5384000.0000000 0.0000016
806200.0000000 0.0000128
183600.0000000 0.0000672
52250.0000000 0.0002797
17390.0000000 0.0009767
6523.0000000 0.0029684
2687.0000000 0.0081240
1178.0000000 0.0209200
536.2000000 0.0505590
251.5000000 0.1104790
121.3000000 0.2069570
59.8800000 0.3047370
30.0500000 0.2929520
15.1200000 0.1355610
7.0100000 0.0173208
3.4410000 -0.0000352
S 16 1.00
5384000.0000000 -0.0000004
806200.0000000 -0.0000035
183600.0000000 -0.0000183
52250.0000000 -0.0000759
17390.0000000 -0.0002657
6523.0000000 -0.0008080
2687.0000000 -0.0022273
1178.0000000 -0.0057833
536.2000000 -0.0143438
251.5000000 -0.0327061
121.3000000 -0.0673716
59.8800000 -0.1176470
30.0500000 -0.1572800
15.1200000 -0.0838544
7.0100000 0.1997180
3.4410000 0.4986050
S 16 1.00
5384000.0000000 0.0000001
806200.0000000 0.0000010
183600.0000000 0.0000050
52250.0000000 0.0000209
17390.0000000 0.0000730
6523.0000000 0.0002221
2687.0000000 0.0006122
1178.0000000 0.0015918
536.2000000 0.0039534
251.5000000 0.0090572
121.3000000 0.0187909
59.8800000 0.0333831
30.0500000 0.0459484
15.1200000 0.0255240
7.0100000 -0.0669496
3.4410000 -0.2036450
S 1 1.00
1.7120000 1.0000000
S 1 1.00
0.8337000 1.0000000
S 1 1.00
0.3912000 1.0000000
S 1 1.00
0.1777000 1.0000000
S 1 1.00
0.0793900 1.0000000
P 9 1.00
4552.0000000 0.0000520
1078.0000000 0.0004604
350.1000000 0.0026208
133.8000000 0.0111873
56.5200000 0.0378229
25.5800000 0.1021160
12.1400000 0.2103140
5.9020000 0.3173830
2.9100000 0.3271650
P 9 1.00
4552.0000000 -0.0000124
1078.0000000 -0.0001094
350.1000000 -0.0006256
133.8000000 -0.0026734
56.5200000 -0.0091552
25.5800000 -0.0250993
12.1400000 -0.0531810
5.9020000 -0.0815888
2.9100000 -0.0919725
P 1 1.00
1.4350000 1.0000000
P 1 1.00
0.6570000 1.0000000
P 1 1.00
0.3005000 1.0000000
P 1 1.00
0.1340000 1.0000000
P 1 1.00
0.0578300 1.0000000
D 1 1.00
4.3008000 1.0000000
D 1 1.00
1.8346000 1.0000000
D 1 1.00
0.7826000 1.0000000
D 1 1.00
0.3339000 1.0000000
D 1 1.00
0.1424000 1.0000000
F 1 1.00
1.8160000 1.0000000
F 1 1.00
0.8806000 1.0000000
F 1 1.00
0.4270000 1.0000000
F 1 1.00
0.2070000 1.0000000
G 1 1.00
1.0616000 1.0000000
G 1 1.00
0.5791000 1.0000000
G 1 1.00
0.3159000 1.0000000
H 1 1.00
1.0850000 1.0000000
H 1 1.00
0.5277000 1.0000000
I 1 1.00
0.8890000 1.0000000
S 1 1.00
0.0322800 1.0000000
P 1 1.00
0.0219700 1.0000000
D 1 1.00
0.0549200 1.0000000
****
S 0
S 16 1.00
6297000.0000000 0.0000016
943100.0000000 0.0000124
214900.0000000 0.0000649
61250.0000000 0.0002693
20450.0000000 0.0009347
7719.0000000 0.0028083
3198.0000000 0.0076740
1402.0000000 0.0198898
637.2000000 0.0482589
298.9000000 0.1057570
144.3000000 0.2002230
71.2100000 0.3007280
35.7300000 0.2986880
17.9700000 0.1463470
8.3410000 0.0201159
4.1120000 -0.0002488
S 16 1.00
6297000.0000000 -0.0000004
943100.0000000 -0.0000034
214900.0000000 -0.0000179
61250.0000000 -0.0000744
20450.0000000 -0.0002587
7719.0000000 -0.0007777
3198.0000000 -0.0021396
1402.0000000 -0.0055906
637.2000000 -0.0139076
298.9000000 -0.0317689
144.3000000 -0.0659302
71.2100000 -0.1168320
35.7300000 -0.1597870
17.9700000 -0.0945322
8.3410000 0.1878280
4.1120000 0.5046830
S 16 1.00
6297000.0000000 0.0000001
943100.0000000 0.0000010
214900.0000000 0.0000052
61250.0000000 0.0000216
20450.0000000 0.0000751
7719.0000000 0.0002258
3198.0000000 0.0006217
1402.0000000 0.0016251
637.2000000 0.0040535
298.9000000 0.0092902
144.3000000 0.0194561
71.2100000 0.0350040
35.7300000 0.0494897
17.9700000 0.0303443
8.3410000 -0.0663661
4.1120000 -0.2231540
S 1 1.00
2.0450000 1.0000000
S 1 1.00
0.9770000 1.0000000
S 1 1.00
0.4766000 1.0000000
S 1 1.00
0.2185000 1.0000000
S 1 1.00
0.0975900 1.0000000
P 9 1.00
5266.0000000 0.0000523
1247.0000000 0.0004635
405.0000000 0.0026410
154.8000000 0.0113169
65.3800000 0.0384704
29.5900000 0.1043390
14.0400000 0.2156840
6.8240000 0.3252600
3.3690000 0.3261780
P 9 1.00
5266.0000000 -0.0000133
1247.0000000 -0.0001179
405.0000000 -0.0006759
154.8000000 -0.0028973
65.3800000 -0.0099980
29.5900000 -0.0275416
14.0400000 -0.0587943
6.8240000 -0.0903761
3.3690000 -0.0999891
P 1 1.00
1.6660000 1.0000000
P 1 1.00
0.7681000 1.0000000
P 1 1.00
0.3504000 1.0000000
P 1 1.00
0.1556000 1.0000000
P 1 1.00
0.0668100 1.0000000
D 1 1.00
5.0755000 1.0000000
D 1 1.00
2.1833000 1.0000000
D 1 1.00
0.9392000 1.0000000
D 1 1.00
0.4040000 1.0000000
D 1 1.00
0.1738000 1.0000000
F 1 1.00
2.2120000 1.0000000
F 1 1.00
1.0630000 1.0000000
F 1 1.00
0.5100000 1.0000000
F 1 1.00
0.2450000 1.0000000
G 1 1.00
1.3473000 1.0000000
G 1 1.00
0.7009000 1.0000000
G 1 1.00
0.3647000 1.0000000
H 1 1.00
1.2861000 1.0000000
H 1 1.00
0.6115000 1.0000000
I 1 1.00
1.0409000 1.0000000
S 1 1.00
0.0389300 1.0000000
P 1 1.00
0.0264800 1.0000000
D 1 1.00
0.0698600 1.0000000
****
Cl 0
S 16 1.00
7733000.0000000 0.14347400E-05
1158000.0000000 0.11148600E-04
263700.0000000 0.58586500E-04
75010.0000000 0.24451800E-03
24890.0000000 0.85828700E-03
9318.0000000 0.26101900E-02
3840.0000000 0.71378400E-02
1684.0000000 0.18456400E-01
766.3000000 0.44894400E-01
359.5000000 0.99382200E-01
173.4000000 0.19078200
85.6100000 0.29356500
42.9300000 0.30647700
21.5500000 0.16220900
10.0500000 0.24938300E-01
4.9780000 -0.51314200E-03
S 16 1.00
7733000.0000000 -0.40222700E-06
1158000.0000000 -0.31244800E-05
263700.0000000 -0.16429000E-04
75010.0000000 -0.68542100E-04
24890.0000000 -0.24100100E-03
9318.0000000 -0.73353800E-03
3840.0000000 -0.20183000E-02
1684.0000000 -0.52610700E-02
766.3000000 -0.13098600E-01
359.5000000 -0.30179400E-01
173.4000000 -0.63188800E-01
85.6100000 -0.11385900
42.9300000 -0.16125100
21.5500000 -0.10923400
10.0500000 0.16299900
4.9780000 0.50141300
S 16 1.00
7733000.0000000 0.12169600E-06
1158000.0000000 0.94514100E-06
263700.0000000 0.49711900E-05
75010.0000000 0.20732300E-04
24890.0000000 0.72940200E-04
9318.0000000 0.22189900E-03
3840.0000000 0.61135500E-03
1684.0000000 0.15933700E-02
766.3000000 0.39800100E-02
359.5000000 0.91937500E-02
173.4000000 0.19439900E-01
85.6100000 0.35518700E-01
42.9300000 0.52067400E-01
21.5500000 0.36564400E-01
10.0500000 -0.59750000E-01
4.9780000 -0.23164100
S 1 1.00
2.4780000 1.0000000
S 1 1.00
1.1800000 1.0000000
S 1 1.00
0.5828000 1.0000000
S 1 1.00
0.2668000 1.0000000
S 1 1.00
0.1183000 1.0000000
P 9 1.00
6091.0000000 0.51619400E-04
1442.0000000 0.45846800E-03
468.3000000 0.26150900E-02
179.0000000 0.11255400E-01
75.6100000 0.38457700E-01
34.2200000 0.10508100E+00
16.2300000 0.21860300E+00
7.8900000 0.33087400E+00
3.8980000 0.32587900E+00
P 9 1.00
6091.0000000 -0.13925900E-04
1442.0000000 -0.12332400E-03
468.3000000 -0.70755100E-03
179.0000000 -0.30493900E-02
75.6100000 -0.10575200E-01
34.2200000 -0.29409400E-01
16.2300000 -0.63229600E-01
7.8900000 -0.98187000E-01
3.8980000 -0.10587000E+00
P 1 1.00
1.9330000 1.0000000
P 1 1.00
0.9057000 1.0000000
P 1 1.00
0.4140000 1.0000000
P 1 1.00
0.1836000 1.0000000
P 1 1.00
0.0785900 1.0000000
D 1 1.00
6.2428000 1.0000000
D 1 1.00
2.6906000 1.0000000
D 1 1.00
1.1596000 1.0000000
D 1 1.00
0.4998000 1.0000000
D 1 1.00
0.2154000 1.0000000
F 1 1.00
2.5327000 1.0000000
F 1 1.00
1.2406000 1.0000000
F 1 1.00
0.6077000 1.0000000
F 1 1.00
0.2977000 1.0000000
G 1 1.00
1.5388000 1.0000000
G 1 1.00
0.8050000 1.0000000
G 1 1.00
0.4212000 1.0000000
H 1 1.00
1.5613000 1.0000000
H 1 1.00
0.7397000 1.0000000
I 1 1.00
1.2572000 1.0000000
S 1 1.00
0.0462500 1.0000000
P 1 1.00
0.0316300 1.0000000
D 1 1.00
0.0888500 1.0000000
****
Ar 0
S 16 1.00
9149000.0000000 0.0000013
1370000.0000000 0.0000104
311900.0000000 0.0000549
88650.0000000 0.0002296
29330.0000000 0.0008103
10930.0000000 0.0024853
4480.0000000 0.0068369
1962.0000000 0.0176199
894.1000000 0.0428752
419.6000000 0.0954853
202.3000000 0.1850640
99.8400000 0.2890420
50.0700000 0.3101660
25.1400000 0.1721830
11.8100000 0.0285227
5.8820000 -0.0005757
S 16 1.00
9149000.0000000 -0.0000004
1370000.0000000 -0.0000030
311900.0000000 -0.0000156
88650.0000000 -0.0000652
29330.0000000 -0.0002304
10930.0000000 -0.0007075
4480.0000000 -0.0019573
1962.0000000 -0.0050856
894.1000000 -0.0126528
419.6000000 -0.0293065
202.3000000 -0.0617712
99.8400000 -0.1125410
50.0700000 -0.1622930
25.1400000 -0.1184120
11.8100000 0.1461480
5.8820000 0.4977520
S 16 1.00
9149000.0000000 0.0000001
1370000.0000000 0.0000009
311900.0000000 0.0000049
88650.0000000 0.0000204
29330.0000000 0.0000720
10930.0000000 0.0002210
4480.0000000 0.0006125
1962.0000000 0.0015908
894.1000000 0.0039722
419.6000000 0.0092204
202.3000000 0.0196367
99.8400000 0.0362570
50.0700000 0.0541725
25.1400000 0.0409996
11.8100000 -0.0551744
5.8820000 -0.2387540
S 1 1.00
2.9390000 1.0000000
S 1 1.00
1.4050000 1.0000000
S 1 1.00
0.6963000 1.0000000
S 1 1.00
0.3188000 1.0000000
S 1 1.00
0.1410000 1.0000000
P 9 1.00
7050.0000000 0.0000502
1669.0000000 0.0004454
542.1000000 0.0025480
207.1000000 0.0110155
87.5200000 0.0378490
39.6100000 0.1043550
18.7800000 0.2193350
9.1300000 0.3346150
4.5160000 0.3267710
P 9 1.00
7050.0000000 -0.0000140
1669.0000000 -0.0001243
542.1000000 -0.0007147
207.1000000 -0.0030968
87.5200000 -0.0107961
39.6100000 -0.0303536
18.7800000 -0.0659785
9.1300000 -0.1038770
4.5160000 -0.1099560
P 1 1.00
2.2450000 1.0000000
P 1 1.00
1.0650000 1.0000000
P 1 1.00
0.4885000 1.0000000
P 1 1.00
0.2166000 1.0000000
P 1 1.00
0.0925500 1.0000000
D 1 1.00
7.6327000 1.0000000
D 1 1.00
3.2876000 1.0000000
D 1 1.00
1.4160000 1.0000000
D 1 1.00
0.6099000 1.0000000
D 1 1.00
0.2627000 1.0000000
F 1 1.00
3.0582000 1.0000000
F 1 1.00
1.5292000 1.0000000
F 1 1.00
0.7647000 1.0000000
F 1 1.00
0.3824000 1.0000000
G 1 1.00
1.8450000 1.0000000
G 1 1.00
0.9657000 1.0000000
G 1 1.00
0.5055000 1.0000000
H 1 1.00
1.8743000 1.0000000
H 1 1.00
0.8871000 1.0000000
I 1 1.00
1.5066000 1.0000000
S 1 1.00
0.0535700 1.0000000
P 1 1.00
0.0367800 1.0000000
D 1 1.00
0.1078000 1.0000000
****
|