/usr/share/ergo/basis/6-311Gs is in ergo 3.5-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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$Elements supported
$H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar Br I
$
$ REFERENCE
$Elements References
$-------- ----------
$H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
$ J. Chem. Phys. 72, 650 (1980)
$Na - Ar: A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
$K - Ca: J-P. Blaudeau, M. P. McGrath, L.A. Curtiss and L. Radom,
$ J. Chem. Phys. 107, 5016 (1997).
$Ga - Kr: L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
$ R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
$I : M.N. Glukhovstev, A. pross, M.P. McGrath, L. Radom, J. Chem. Phys.
$ 103, 1878 (1995)
$
$ POLARIZATION AND/OR DIFFUSE FUNCTIONS
$Elements References
$-------- ----------
$Li - Ar: R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72,
$ 650 (1980).
$K - Ca: J-P. Blaudeau, M. P. McGrath, L.A. Curtiss
$ and L. Radom, J. Chem. Phys. 107, 5016
$ (1997).
$Ga - Kr: L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis, R. C.
$ Binning, Jr., L. Radom, J. Chem. Phys. 103, 6104 (1995)
$
a 1
$ HYDROGEN (5s) -> [3s]
$ HYDROGEN (1p)
$ S-TYPE FUNCTIONS
5 3 0
33.8650000 0.02549380 0.00000000 0.00000000
5.0947900 0.19037300 0.00000000 0.00000000
1.1587900 0.85216100 0.00000000 0.00000000
0.3258400 0.00000000 1.00000000 0.00000000
0.1027410 0.00000000 0.00000000 1.00000000
a 2
$ HELIUM (5s) -> [3s]
$ HELIUM (1p)
$ S-TYPE FUNCTIONS
5 3 0
98.1243000 0.02874520 0.00000000 0.00000000
14.7689000 0.20806100 0.00000000 0.00000000
3.3188300 0.83763500 0.00000000 0.00000000
0.8740470 0.00000000 1.00000000 0.00000000
0.2445640 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
1 1 0
0.7500000 1.00000000
a 3
$ LITHIUM (11s,5p) -> [4s,3p]
$ LITHIUM (1d)
$ S-TYPE FUNCTIONS
11 4 0
900.4600000 0.00228704 0.00000000 0.00000000 0.00000000
134.4330000 0.01763500 0.00000000 0.00000000 0.00000000
30.4365000 0.08734340 0.00000000 0.00000000 0.00000000
8.6263900 0.28097700 0.00000000 0.00000000 0.00000000
2.4833200 0.65874100 0.00000000 0.00000000 0.00000000
0.3031790 0.11871200 0.00000000 0.00000000 0.00000000
4.8689000 0.00000000 0.09332930 0.00000000 0.00000000
0.8569240 0.00000000 0.94304500 0.00000000 0.00000000
0.2432270 0.00000000 -0.00279827 0.00000000 0.00000000
0.0635070 0.00000000 0.00000000 1.00000000 0.00000000
0.0243683 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
4.8689000 0.03276610 0.00000000 0.00000000
0.8569240 0.15979200 0.00000000 0.00000000
0.2432270 0.88566700 0.00000000 0.00000000
0.0635070 0.00000000 1.00000000 0.00000000
0.0243683 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.2000000 1.00000000
a 4
$ BERYLLIUM (11s,5p) -> [4s,3p]
$ BERYLLIUM (1d)
$ S-TYPE FUNCTIONS
11 4 0
1682.8000000 0.00228574 0.00000000 0.00000000 0.00000000
251.7150000 0.01759380 0.00000000 0.00000000 0.00000000
57.4116000 0.08633150 0.00000000 0.00000000 0.00000000
16.5171000 0.28183500 0.00000000 0.00000000 0.00000000
4.8536400 0.64059400 0.00000000 0.00000000 0.00000000
0.6268630 0.14446700 0.00000000 0.00000000 0.00000000
8.3093800 0.00000000 0.10862100 0.00000000 0.00000000
1.7407500 0.00000000 0.92730100 0.00000000 0.00000000
0.4858160 0.00000000 -0.00297169 0.00000000 0.00000000
0.1636130 0.00000000 0.00000000 1.00000000 0.00000000
0.0567285 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
8.3093800 0.03613440 0.00000000 0.00000000
1.7407500 0.21695800 0.00000000 0.00000000
0.4858160 0.84183900 0.00000000 0.00000000
0.1636130 0.00000000 1.00000000 0.00000000
0.0567285 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.2550000 1.00000000
a 5
$ BORON (11s,5p) -> [4s,3p]
$ BORON (1d)
$ S-TYPE FUNCTIONS
11 4 0
2858.8900000 0.00215375 0.00000000 0.00000000 0.00000000
428.1400000 0.01658230 0.00000000 0.00000000 0.00000000
97.5282000 0.08218700 0.00000000 0.00000000 0.00000000
27.9693000 0.27661800 0.00000000 0.00000000 0.00000000
8.2157700 0.62931600 0.00000000 0.00000000 0.00000000
1.1127800 0.17377000 0.00000000 0.00000000 0.00000000
13.2415000 0.00000000 0.11744300 0.00000000 0.00000000
3.0016600 0.00000000 0.91800200 0.00000000 0.00000000
0.9128560 0.00000000 -0.00265105 0.00000000 0.00000000
0.3154540 0.00000000 0.00000000 1.00000000 0.00000000
0.0988563 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
13.2415000 0.04181000 0.00000000 0.00000000
3.0016600 0.23657500 0.00000000 0.00000000
0.9128560 0.81621400 0.00000000 0.00000000
0.3154540 0.00000000 1.00000000 0.00000000
0.0988563 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.4010000 1.00000000
a 6
$ CARBON (11s,5p) -> [4s,3p]
$ CARBON (1d)
$ S-TYPE FUNCTIONS
11 4 0
4563.2400000 0.00196665 0.00000000 0.00000000 0.00000000
682.0240000 0.01523060 0.00000000 0.00000000 0.00000000
154.9730000 0.07612690 0.00000000 0.00000000 0.00000000
44.4553000 0.26080100 0.00000000 0.00000000 0.00000000
13.0290000 0.61646200 0.00000000 0.00000000 0.00000000
1.8277300 0.22100600 0.00000000 0.00000000 0.00000000
20.9642000 0.00000000 0.11466000 0.00000000 0.00000000
4.8033100 0.00000000 0.91999900 0.00000000 0.00000000
1.4593300 0.00000000 -0.00303068 0.00000000 0.00000000
0.4834560 0.00000000 0.00000000 1.00000000 0.00000000
0.1455850 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
20.9642000 0.04024870 0.00000000 0.00000000
4.8033100 0.23759400 0.00000000 0.00000000
1.4593300 0.81585400 0.00000000 0.00000000
0.4834560 0.00000000 1.00000000 0.00000000
0.1455850 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.6260000 1.00000000
a 7
$ NITROGEN (11s,5p) -> [4s,3p]
$ NITROGEN (1d)
$ S-TYPE FUNCTIONS
11 4 0
6293.4800000 0.00196979 0.00000000 0.00000000 0.00000000
949.0440000 0.01496130 0.00000000 0.00000000 0.00000000
218.7760000 0.07350060 0.00000000 0.00000000 0.00000000
63.6916000 0.24893700 0.00000000 0.00000000 0.00000000
18.8282000 0.60246000 0.00000000 0.00000000 0.00000000
2.7202300 0.25620200 0.00000000 0.00000000 0.00000000
30.6331000 0.00000000 0.11190600 0.00000000 0.00000000
7.0261400 0.00000000 0.92166600 0.00000000 0.00000000
2.1120500 0.00000000 -0.00256919 0.00000000 0.00000000
0.6840090 0.00000000 0.00000000 1.00000000 0.00000000
0.2008780 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
30.6331000 0.03831190 0.00000000 0.00000000
7.0261400 0.23740300 0.00000000 0.00000000
2.1120500 0.81759200 0.00000000 0.00000000
0.6840090 0.00000000 1.00000000 0.00000000
0.2008780 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.9130000 1.00000000
a 8
$ OXYGEN (11s,5p) -> [4s,3p]
$ OXYGEN (1d)
$ S-TYPE FUNCTIONS
11 4 0
8588.5000000 0.00189515 0.00000000 0.00000000 0.00000000
1297.2300000 0.01438590 0.00000000 0.00000000 0.00000000
299.2960000 0.07073200 0.00000000 0.00000000 0.00000000
87.3771000 0.24000100 0.00000000 0.00000000 0.00000000
25.6789000 0.59479700 0.00000000 0.00000000 0.00000000
3.7400400 0.28080200 0.00000000 0.00000000 0.00000000
42.1175000 0.00000000 0.11388900 0.00000000 0.00000000
9.6283700 0.00000000 0.92081100 0.00000000 0.00000000
2.8533200 0.00000000 -0.00327447 0.00000000 0.00000000
0.9056610 0.00000000 0.00000000 1.00000000 0.00000000
0.2556110 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
42.1175000 0.03651140 0.00000000 0.00000000
9.6283700 0.23715300 0.00000000 0.00000000
2.8533200 0.81970200 0.00000000 0.00000000
0.9056610 0.00000000 1.00000000 0.00000000
0.2556110 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
1.2920000 1.00000000
a 9
$ FLUORINE (11s,5p) -> [4s,3p]
$ FLUORINE (1d)
$ S-TYPE FUNCTIONS
11 4 0
11427.1000000 0.00180093 0.00000000 0.00000000 0.00000000
1722.3500000 0.01374190 0.00000000 0.00000000 0.00000000
395.7460000 0.06813340 0.00000000 0.00000000 0.00000000
115.1390000 0.23332500 0.00000000 0.00000000 0.00000000
33.6026000 0.58908600 0.00000000 0.00000000 0.00000000
4.9190100 0.29950500 0.00000000 0.00000000 0.00000000
55.4441000 0.00000000 0.11453600 0.00000000 0.00000000
12.6323000 0.00000000 0.92051200 0.00000000 0.00000000
3.7175600 0.00000000 -0.00337804 0.00000000 0.00000000
1.1654500 0.00000000 0.00000000 1.00000000 0.00000000
0.3218920 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
55.4441000 0.03546090 0.00000000 0.00000000
12.6323000 0.23745100 0.00000000 0.00000000
3.7175600 0.82045800 0.00000000 0.00000000
1.1654500 0.00000000 1.00000000 0.00000000
0.3218920 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
1.7500000 1.00000000
a 10
$ NEON (11s,5p) -> [4s,3p]
$ NEON (1d)
$ S-TYPE FUNCTIONS
11 4 0
13995.7000000 0.00183276 0.00000000 0.00000000 0.00000000
2117.1000000 0.01388270 0.00000000 0.00000000 0.00000000
490.4250000 0.06806870 0.00000000 0.00000000 0.00000000
143.8330000 0.23132800 0.00000000 0.00000000 0.00000000
41.9265000 0.58589000 0.00000000 0.00000000 0.00000000
6.1568400 0.30588300 0.00000000 0.00000000 0.00000000
69.1211000 0.00000000 0.01191490 0.00000000 0.00000000
15.8350000 0.00000000 0.91737500 0.00000000 0.00000000
4.6732600 0.00000000 -0.00405839 0.00000000 0.00000000
1.4575600 0.00000000 0.00000000 1.00000000 0.00000000
0.3970570 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
69.1211000 0.03565740 0.00000000 0.00000000
15.8350000 0.23947700 0.00000000 0.00000000
4.6732600 0.81846100 0.00000000 0.00000000
1.4575600 0.00000000 1.00000000 0.00000000
0.3970570 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
2.3040000 1.00000000
a 11
$ SODIUM (12s,9p) -> [6s,5p]
$ SODIUM (1d)
$ S-TYPE FUNCTIONS
13 6 0
36166.4000000 0.00103200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5372.5800000 0.00807100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1213.2100000 0.04212900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
339.6230000 0.16978900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
109.5530000 0.51462100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38.7773000 0.37981700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38.7773000 0.00000000 0.37476200 0.00000000 0.00000000 0.00000000 0.00000000
14.5759000 0.00000000 0.57576900 0.00000000 0.00000000 0.00000000 0.00000000
5.2699300 0.00000000 0.11293300 0.00000000 0.00000000 0.00000000 0.00000000
1.8277700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.6199480 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0572400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0240480 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
144.6450000 0.01148500 0.00000000 0.00000000 0.00000000 0.00000000
33.9074000 0.08238300 0.00000000 0.00000000 0.00000000 0.00000000
10.6285000 0.31965800 0.00000000 0.00000000 0.00000000 0.00000000
3.8238900 0.70129500 0.00000000 0.00000000 0.00000000 0.00000000
1.4442900 0.00000000 0.63850600 0.00000000 0.00000000 0.00000000
0.5526210 0.00000000 0.42536500 0.00000000 0.00000000 0.00000000
0.1887200 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0465010 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0162850 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.1750000 1.00000000
a 12
$ MAGNESIUM (12s,9p) -> [6s,5p]
$ MAGNESIUM (1d)
$ S-TYPE FUNCTIONS
13 6 0
43866.5000000 0.00091800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6605.3700000 0.00704700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1513.2600000 0.03594100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
432.3170000 0.14146100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
142.1490000 0.42676400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51.3983000 0.49797500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51.3983000 0.00000000 0.25135500 0.00000000 0.00000000 0.00000000 0.00000000
19.9196000 0.00000000 0.61867100 0.00000000 0.00000000 0.00000000 0.00000000
8.0247400 0.00000000 0.18841700 0.00000000 0.00000000 0.00000000 0.00000000
2.5081700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.8715310 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1081880 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0401300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
193.8540000 0.01018800 0.00000000 0.00000000 0.00000000 0.00000000
45.4420000 0.07536000 0.00000000 0.00000000 0.00000000 0.00000000
14.1864000 0.30741900 0.00000000 0.00000000 0.00000000 0.00000000
5.0575100 0.71757500 0.00000000 0.00000000 0.00000000 0.00000000
1.8886100 0.00000000 0.66733900 0.00000000 0.00000000 0.00000000
0.7226520 0.00000000 0.39464900 0.00000000 0.00000000 0.00000000
0.2364170 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0933580 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0348090 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.1750000 1.00000000
a 13
$ ALUMINUM (12s,9p) -> [6s,5p]
$ ALUMINUM (1d)
$ S-TYPE FUNCTIONS
13 6 0
54866.4890000 0.00083900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8211.7665000 0.00652700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1866.1761000 0.03366600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
531.1293400 0.13290200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
175.1179700 0.40126600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
64.0055000 0.53133800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
64.0055000 0.00000000 0.20230500 0.00000000 0.00000000 0.00000000 0.00000000
25.2925070 0.00000000 0.62479000 0.00000000 0.00000000 0.00000000 0.00000000
10.5349100 0.00000000 0.22743900 0.00000000 0.00000000 0.00000000 0.00000000
3.2067110 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.1525550 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1766780 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.6523700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
259.2836200 0.00944800 0.00000000 0.00000000 0.00000000 0.00000000
61.0768700 0.07097400 0.00000000 0.00000000 0.00000000 0.00000000
19.3032370 0.29563600 0.00000000 0.00000000 0.00000000 0.00000000
7.0108820 0.72821900 0.00000000 0.00000000 0.00000000 0.00000000
2.6738650 0.00000000 0.64446700 0.00000000 0.00000000 0.00000000
1.0365960 0.00000000 0.41741300 0.00000000 0.00000000 0.00000000
0.3168190 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1142570 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0413970 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.3250000 1.00000000
a 14
$ SILICON (12s,9p) -> [6s,5p]
$ SILICON (1d)
$ S-TYPE FUNCTIONS
13 6 0
69379.2300000 0.00075700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10354.9400000 0.00593200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2333.8796000 0.03108800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
657.1429500 0.12496700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
214.3011300 0.38689700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
77.6291680 0.55488800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
77.6291680 0.00000000 0.17788100 0.00000000 0.00000000 0.00000000 0.00000000
30.6308070 0.00000000 0.62776500 0.00000000 0.00000000 0.00000000 0.00000000
12.8012950 0.00000000 0.24762300 0.00000000 0.00000000 0.00000000 0.00000000
3.9268660 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.4523430 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2562340 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0942790 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
335.4831900 0.00886600 0.00000000 0.00000000 0.00000000 0.00000000
78.9003660 0.06829900 0.00000000 0.00000000 0.00000000 0.00000000
24.9881500 0.29095800 0.00000000 0.00000000 0.00000000 0.00000000
9.2197110 0.73211700 0.00000000 0.00000000 0.00000000 0.00000000
3.6211400 0.00000000 0.61987900 0.00000000 0.00000000 0.00000000
1.4513100 0.00000000 0.43914800 0.00000000 0.00000000 0.00000000
0.5049770 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1863170 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0654320 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.4500000 1.00000000
a 15
$ PHOSPHORUS (12s,9p) -> [6s,5p]
$ PHOSPHORUS (1d)
$ S-TYPE FUNCTIONS
13 6 0
77492.4000000 0.00078100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11605.8000000 0.00606800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2645.9600000 0.03116000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7549.7600000 0.12343100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
248.7550000 0.37820900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
91.1565000 0.56326200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
91.1565000 0.00000000 0.16025500 0.00000000 0.00000000 0.00000000 0.00000000
36.2257000 0.00000000 0.62764700 0.00000000 0.00000000 0.00000000 0.00000000
15.2113000 0.00000000 0.26384900 0.00000000 0.00000000 0.00000000 0.00000000
4.7941700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.8079300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3568160 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1147830 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
384.8430000 0.00920600 0.00000000 0.00000000 0.00000000 0.00000000
90.5521000 0.06987400 0.00000000 0.00000000 0.00000000 0.00000000
29.1339000 0.29247000 0.00000000 0.00000000 0.00000000 0.00000000
10.8862000 0.72810300 0.00000000 0.00000000 0.00000000 0.00000000
4.3525900 0.00000000 0.62834900 0.00000000 0.00000000 0.00000000
1.7770600 0.00000000 0.42804400 0.00000000 0.00000000 0.00000000
0.6970050 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2535320 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0684930 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.5500000 1.00000000
a 16
$ SULFUR (12s,9p) -> [6s,5p]
$ SULFUR (1d)
$ S-TYPE FUNCTIONS
13 6 0
93413.4000000 0.00074300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13961.7000000 0.00579300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3169.9100000 0.02995400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
902.4560000 0.11902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
297.1580000 0.36843200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
108.7020000 0.57729900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
108.7020000 0.00000000 0.14318600 0.00000000 0.00000000 0.00000000 0.00000000
43.1553000 0.00000000 0.62446500 0.00000000 0.00000000 0.00000000 0.00000000
18.1079000 0.00000000 0.28336600 0.00000000 0.00000000 0.00000000 0.00000000
5.5600900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.1318300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4204030 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1360450 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
495.0400000 0.00830900 0.00000000 0.00000000 0.00000000 0.00000000
117.2210000 0.06402400 0.00000000 0.00000000 0.00000000 0.00000000
37.7749000 0.27761400 0.00000000 0.00000000 0.00000000 0.00000000
14.0584000 0.74507600 0.00000000 0.00000000 0.00000000 0.00000000
5.5657400 0.00000000 0.61371200 0.00000000 0.00000000 0.00000000
2.2629700 0.00000000 0.44381800 0.00000000 0.00000000 0.00000000
0.8079940 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2774600 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0771410 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.6500000 1.00000000
a 17
$ CHLORINE (12s,9p) -> [6s,5p]
$ CHLORINE (1d)
$ S-TYPE FUNCTIONS
13 6 0
105819.0000000 0.00073800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
15872.0000000 0.00571800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3619.6500000 0.02949500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1030.8000000 0.11728600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
339.9080000 0.36294900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
124.5380000 0.58414900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
124.5380000 0.00000000 0.13417700 0.00000000 0.00000000 0.00000000 0.00000000
49.5135000 0.00000000 0.62425000 0.00000000 0.00000000 0.00000000 0.00000000
20.8056000 0.00000000 0.29175600 0.00000000 0.00000000 0.00000000 0.00000000
6.5834600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.5646800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.5597630 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1832730 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
10 5 0
589.7760000 0.00239100 0.00000000 0.00000000 0.00000000 0.00000000
139.8490000 0.01850400 0.00000000 0.00000000 0.00000000 0.00000000
45.1413000 0.08137700 0.00000000 0.00000000 0.00000000 0.00000000
16.8733000 0.22155200 0.00000000 0.00000000 0.00000000 0.00000000
6.7411000 0.77256900 0.00000000 0.00000000 0.00000000 0.00000000
6.7411000 0.00000000 -1.57224400 0.00000000 0.00000000 0.00000000
2.7715200 0.00000000 0.99238900 0.00000000 0.00000000 0.00000000
1.0238700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3813680 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1094370 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.7500000 1.00000000
a 18
$ ARGON (12s,9p) -> [6s,5p]
$ ARGON (1d)
$ S-TYPE FUNCTIONS
13 6 0
118022.3800000 0.00074700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17683.5410000 0.00579000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4027.7657000 0.02991900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1145.3977000 0.11920600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
377.1637500 0.36902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
138.1596900 0.57645900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
138.1596900 0.00000000 0.14392700 0.00000000 0.00000000 0.00000000 0.00000000
54.9891170 0.00000000 0.62293800 0.00000000 0.00000000 0.00000000 0.00000000
23.1706670 0.00000000 0.28396400 0.00000000 0.00000000 0.00000000 0.00000000
7.3778600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.9236880 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.6504050 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.2328250 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
10 5 0
663.0620100 0.00308200 0.00000000 0.00000000 0.00000000 0.00000000
157.0928100 0.02416500 0.00000000 0.00000000 0.00000000 0.00000000
50.2311000 0.10822300 0.00000000 0.00000000 0.00000000 0.00000000
18.6353450 0.29419200 0.00000000 0.00000000 0.00000000 0.00000000
7.4465370 0.68786200 0.00000000 0.00000000 0.00000000 0.00000000
7.4465370 0.00000000 -0.12144820 0.00000000 0.00000000 0.00000000
3.0956980 0.00000000 0.16323700 0.00000000 0.00000000 0.00000000
1.1064630 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4156010 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1454490 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.8500000 1.00000000
a 35
$ BROMINE (14s,12p,5d) -> [8s,7p,3d]
$ S-TYPE FUNCTIONS
15 8 0
439700.000000 0.00081300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
66030.000000 0.00628500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
15140.000000 0.03192000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
4317.000000 0.12880000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
1414.000000 0.39460000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
523.900000 0.54130000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
523.900000 0.00000000 0.18310000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
207.700000 0.00000000 0.61760000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
86.540000 0.00000000 0.25380000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
30.520000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
12.980000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000 0.00000000
4.412000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.000000 0.00000000
1.862000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000 0.00000000
0.393200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000 0.00000000
0.140000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 1.00000000
$ P-TYPE FUNCTIONS
13 7 0
2957.000000 0.02226000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
700.300000 0.18020000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
224.600000 0.86240000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
82.590000 0.00000000 0.34400000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
33.190000 0.00000000 0.50710000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
14.200000 0.00000000 0.25900000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
14.200000 0.00000000 0.00000000 0.07965000 0.00000000 0.00000000 0.00000000
0.000000
7.438000 0.00000000 0.00000000 0.37340000 0.00000000 0.00000000 0.00000000
0.000000
3.526000 0.00000000 0.00000000 0.60490000 0.00000000 0.00000000 0.00000000
0.000000
1.595000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000
0.846200 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.000000
0.318600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000
0.109600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000
$ D-TYPE FUNCTIONS
6 3 0
134.8000000 0.01831000 0.00000000 0.00000000
36.3900000 0.13500000 0.00000000 0.00000000
12.1600000 0.42610000 0.00000000 0.00000000
4.3410000 0.60430000 0.00000000 0.00000000
1.5350000 0.00000000 1.00000000 0.00000000
0.4510000 0.00000000 0.00000000 1.00000000
a 53
$ IODINE (15s,12p,6d) -> [10s,9p,4d]
$ S-TYPE FUNCTIONS
15 10 0
444750.000000 0.00089000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
66127.000000 0.00694000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
14815.000000 0.03609000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
4144.900000 0.13568000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
1361.200000 0.33878000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
508.440000 0.00000000 0.43659000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
209.590000 0.00000000 0.18375000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
81.959000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
36.805000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
13.495000 0.00000000 0.00000000 0.00000000 0.00000000 1.000000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
6.885900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000 0.00000000 0.00000000 0.00000000
2.552000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000 0.00000000 0.00000000 0.00000000
1.208800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 1.00000000 0.00000000 0.00000000
0.273400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 1.00000000 0.00000000
0.100900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
12 9 0
2953.600000 0.01221000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
712.610000 0.08587000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
236.710000 0.29493000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
92.631000 0.47849000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
39.732000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
17.273000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
7.957000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
3.152900 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.000000 0.00000000 0.00000000
1.332800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000 0.00000000 0.00000000
0.494700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000 0.00000000 0.00000000
0.216000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 1.00000000 0.00000000
0.082930 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
7 5 0
261.950000 0.03144000 0.00000000 0.00000000 0.00000000 0.00000000
76.734000 0.19028000 0.00000000 0.00000000 0.00000000 0.00000000
27.551000 0.47247000 0.00000000 0.00000000 0.00000000 0.00000000
10.606000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
3.421700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
1.137000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.302000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
|