/usr/share/ergo/basis/aug-cc-pCV5Z is in ergo 3.4.0-1.
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 B C N O F
$
$ REFERENCE
$Elements References
$-------- ----------
$ H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
$ He : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
$Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
$Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
$Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
$Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
$
$ POLARIZATION AND/OR DIFFUSE FUNCTIONS
$ Polarization and/or diffuse functions
$Elements References
$-------- ----------
$ H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
$Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and
$ D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).
$Al - Ar: K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 117, 10548 (2002)
$Ca : K.A. Peterson (to be published)
$
************************************************************************
a 1
$ HYDROGEN (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
$ HYDROGEN (1s,1p,1d,1f,1g)
$ S-TYPE FUNCTIONS
9 6 0
402.0000000 0.00027900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
60.2400000 0.00216500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13.7300000 0.01120100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.9050000 0.04487800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.2830000 0.14229900 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.4655000 0.33097900 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.1811000 0.43626900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0727900 0.17644000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0207000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 5 0
4.5160000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.7120000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.6490000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2460000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0744000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
4 4 0
2.9500000 1.00000000 0.00000000 0.00000000 0.00000000
1.2060000 0.00000000 1.00000000 0.00000000 0.00000000
0.4930000 0.00000000 0.00000000 1.00000000 0.00000000
0.1560000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
3 3 0
2.5060000 1.00000000 0.00000000 0.00000000
0.8750000 0.00000000 1.00000000 0.00000000
0.2740000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
2 2 0
2.3580000 1.00000000 0.00000000
0.5430000 0.00000000 1.00000000
a 2
$ HELIUM (8s,4p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
$ HELIUM (1s,1p,1d,1f,1g)
$ S-TYPE FUNCTIONS
9 6 0
1145.0000000 0.00035900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
171.7000000 0.00277100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
39.0700000 0.01425100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11.0400000 0.05556600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.5660000 0.16209100 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.2405000 0.33219700 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.4473000 0.41961500 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1640000 0.18612800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0466400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 5 0
10.1530000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3.6270000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.2960000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4630000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1400000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
4 4 0
7.6660000 1.00000000 0.00000000 0.00000000 0.00000000
2.6470000 0.00000000 1.00000000 0.00000000 0.00000000
0.9140000 0.00000000 0.00000000 1.00000000 0.00000000
0.2892000 0.00000000 0.00000000 0.00000000 1.00000000
$ F-TYPE FUNCTIONS
3 3 0
5.4110000 1.00000000 0.00000000 0.00000000
1.7070000 0.00000000 1.00000000 0.00000000
0.5345000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
2 2 0
3.4300000 1.00000000 0.00000000
0.7899000 0.00000000 1.00000000
a 5
$ BORON (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
$ BORON Tight (s,p,d,f,g)
$ BORON (1s,1p,1d,1f,1g,1h)
$ S-TYPE FUNCTIONS
19 11 0
68260.0000000 0.00002400 -0.00000500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
10230.0000000 0.00018500 -0.00003700 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
2328.0000000 0.00097000 -0.00019600 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
660.4000000 0.00405600 -0.00082400 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
216.2000000 0.01439900 -0.00292300 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
78.6000000 0.04390100 -0.00913800 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
30.9800000 0.11305700 -0.02410500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
12.9600000 0.23382500 -0.05475500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
5.6590000 0.35396000 -0.09694300 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
2.5560000 0.30154700 -0.13748500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
1.1750000 0.08752100 -0.04456500 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.4249000 0.00281900 0.32434500 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.1712000 0.00004300 0.57041400 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0691300 0.00007800 0.24344400 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
6.4110000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000 0.00000000
14.5210000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000 0.00000000
32.8900000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000 0.00000000
74.4960000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0261000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
13 10 0
66.4400000 0.00083800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
15.7100000 0.00640900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
4.9360000 0.02808100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
1.7700000 0.09215200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.7008000 0.22416400 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.2901000 0.36991500 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.1211000 0.37444100 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.0497300 0.13908600 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
5.1720000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000
13.2250000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000
33.8160000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000
86.4670000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000
0.0157000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
8 8 0
2.0100000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.7960000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.3160000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.1250000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000
7.0660000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000
19.7210000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000
55.0420000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000
0.0431000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000
$ F-TYPE FUNCTIONS
6 6 0
1.2150000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.5250000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.2270000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
9.9940000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
33.0900000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0843000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
1.1240000 1.00000000 0.00000000 0.00000000 0.00000000
0.4610000 0.00000000 1.00000000 0.00000000 0.00000000
24.0200000 0.00000000 0.00000000 1.00000000 0.00000000
0.2020000 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
2 2 0
0.8340000 1.00000000 0.00000000
0.3840000 0.00000000 1.00000000
a 6
$ CARBON (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
$ CARBON Tight (s,p,d,f,g)
$ CARBON (1s,1p,1d,1f,1g,1h)
$ S-TYPE FUNCTIONS
19 11 0
96770.0000000 0.00002500 -0.00000500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
14500.0000000 0.00019000 -0.00004100 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
3300.0000000 0.00100000 -0.00021300 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
935.8000000 0.00418300 -0.00089700 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
306.2000000 0.01485900 -0.00318700 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
111.3000000 0.04530100 -0.00996100 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
43.9000000 0.11650400 -0.02637500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
18.4000000 0.24024900 -0.06000100 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
8.0540000 0.35879900 -0.10682500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
3.6370000 0.29394100 -0.14416600 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
1.6560000 0.07766500 -0.02464420 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.6333000 0.00233300 0.34900900 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.2545000 0.00050500 0.55873700 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.1019000 0.00003000 0.22810200 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
9.1850000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000 0.00000000
20.7950000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000 0.00000000
47.0800000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000 0.00000000
106.5880000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0394000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
13 10 0
101.8000000 0.00089100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
24.0400000 0.00697600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
7.5710000 0.03166900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
2.7320000 0.10400600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
1.0850000 0.24163300 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.4496000 0.37194600 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.1876000 0.35420000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.0760600 0.13156800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
7.6680000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000
19.4840000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000
49.5100000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000
125.8040000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000
0.0272000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
8 8 0
3.1340000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
1.2330000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.4850000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.1910000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000
10.0090000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000
28.0650000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000
78.6950000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000
0.0701000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000
$ F-TYPE FUNCTIONS
6 6 0
2.0060000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.8380000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.3500000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
11.6930000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
41.5690000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1380000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
1.7530000 1.00000000 0.00000000 0.00000000 0.00000000
0.6780000 0.00000000 1.00000000 0.00000000 0.00000000
32.7800000 0.00000000 0.00000000 1.00000000 0.00000000
0.3190000 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
2 2 0
1.2590000 1.00000000 0.00000000
0.5860000 0.00000000 1.00000000
a 7
$ NITROGEN (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
$ NITROGEN Tight (s,p,d,f,g)
$ NITROGEN (1s,1p,1d,1f,1g,1h)
$ S-TYPE FUNCTIONS
19 11 0
129200.0000000 0.00002500 -0.00000600 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
19350.0000000 0.00019700 -0.00004300 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
4404.0000000 0.00103200 -0.00022700 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
1248.0000000 0.00432500 -0.00095800 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
408.0000000 0.01538000 -0.00341600 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
148.2000000 0.04686700 -0.01066700 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
58.5000000 0.12011600 -0.02827900 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
24.5900000 0.24569500 -0.06402000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
10.8100000 0.36137900 -0.11393200 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
4.8820000 0.28728300 -0.14699500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
2.1950000 0.07017100 -0.00725100 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.8715000 0.00183100 0.36618300 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.3504000 0.00083500 0.54790800 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.1397000 -0.00000600 0.21664500 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
12.2750000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000 0.00000000
27.8270000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000 0.00000000
63.0850000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000 0.00000000
143.0130000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0518000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
13 10 0
147.0000000 0.00089200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
34.7600000 0.00708200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
11.0000000 0.03281600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
3.9950000 0.10820900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
1.5870000 0.24809400 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.6533000 0.37451300 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.2686000 0.34841400 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.1067000 0.12834000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
10.7600000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000
27.1800000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000
68.6560000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000
173.4250000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000
0.0369000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
8 8 0
4.6470000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
1.8130000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.7070000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.2760000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000
14.0530000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000
39.0810000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000
108.6850000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000
0.0971000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000
$ F-TYPE FUNCTIONS
6 6 0
2.9420000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.2040000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.4930000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
14.3570000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
52.6900000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1920000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
2.5110000 1.00000000 0.00000000 0.00000000 0.00000000
0.9420000 0.00000000 1.00000000 0.00000000 0.00000000
41.1200000 0.00000000 0.00000000 1.00000000 0.00000000
0.4360000 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
2 2 0
1.7680000 1.00000000 0.00000000
0.7880000 0.00000000 1.00000000
a 8
$ OXYGEN (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
$ OXYGEN Tight (s,p,d,f,g)
$ OXYGEN (1s,1p,1d,1f,1g,1h)
$ S-TYPE FUNCTIONS
19 11 0
164200.0000000 0.00002600 -0.00000600 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
24590.0000000 0.00020500 -0.00004600 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
5592.0000000 0.00107600 -0.00024400 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
1582.0000000 0.00452200 -0.00103100 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
516.1000000 0.01610800 -0.00368800 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
187.2000000 0.04908500 -0.01151400 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
73.9300000 0.12485700 -0.03043500 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
31.2200000 0.25168600 -0.06814700 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
13.8100000 0.36242000 -0.12036800 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
6.2560000 0.27905100 -0.14826000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
2.7760000 0.06355200 0.00990500 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
1.1380000 0.00106300 0.38428600 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.4600000 0.00114400 0.53680500 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.1829000 -0.00004000 0.20268700 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
15.6450000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000 0.00000000
35.8740000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000 0.00000000
82.2590000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000 0.00000000
188.6200000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0655000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
13 10 0
195.5000000 0.00091800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
46.1600000 0.00738800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
14.5800000 0.03495800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
5.2960000 0.11543100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
2.0940000 0.25680300 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.8471000 0.37393800 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.3368000 0.34344700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.1285000 0.12970600 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
14.0490000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000
35.4460000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000
89.4290000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000
225.6300000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000
0.0446000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
8 8 0
5.8790000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
2.3070000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.9050000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.3550000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000
16.7030000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000
47.3200000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000
134.0560000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000
0.1310000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000
$ F-TYPE FUNCTIONS
6 6 0
4.0160000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.5540000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.6010000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
17.3540000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
65.5460000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.2370000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
3.3500000 1.00000000 0.00000000 0.00000000 0.00000000
1.1890000 0.00000000 1.00000000 0.00000000 0.00000000
48.5780000 0.00000000 0.00000000 1.00000000 0.00000000
0.5170000 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
2 2 0
2.3190000 1.00000000 0.00000000
1.0240000 0.00000000 1.00000000
a 9
$ FLUORINE (14s,8p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
$ FLUORINE Tight (s,p,d,f,g)
$ FLUORINE (1s,1p,1d,1f,1g,1h)
$ S-TYPE FUNCTIONS
19 11 0
211400.0000000 0.00002600 -0.00000600 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
31660.0000000 0.00020100 -0.00004700 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
7202.0000000 0.00105600 -0.00024400 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
2040.0000000 0.00443200 -0.00103100 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
666.4000000 0.01576600 -0.00368300 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
242.0000000 0.04811200 -0.01151300 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
95.5300000 0.12323200 -0.03066300 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
40.2300000 0.25151900 -0.06957200 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
17.7200000 0.36452500 -0.12399200 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
8.0050000 0.27976600 -0.15021400 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
3.5380000 0.06354500 0.01646000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
1.4580000 0.00111100 0.39255000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.5887000 0.00125800 0.53216400 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
0.2324000 -0.00003500 0.19652400 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000 0.00000000
19.8760000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000 0.00000000
44.8800000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000 0.00000000
101.3390000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000 0.00000000
228.8240000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0806000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
13 10 0
241.9000000 0.00100200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
57.1700000 0.00805400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
18.1300000 0.03804800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
6.6240000 0.12377900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
2.6220000 0.26606000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
1.0570000 0.37179600 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.4176000 0.33289000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
0.1574000 0.12849100 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000 0.00000000 0.00000000
17.3060000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000 0.00000000 0.00000000
43.6630000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000 0.00000000 0.00000000
110.1620000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000 0.00000000 0.00000000
277.9380000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 1.00000000 0.00000000
0.0550000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
8 8 0
7.7600000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
3.0320000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
1.1850000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.0000000 0.00000000
0.4630000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0000000 0.00000000
21.7310000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0000000 0.00000000
60.9550000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.0000000 0.00000000
170.8900000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.0000000 0.00000000
0.1720000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.0000000 1.00000000
$ F-TYPE FUNCTIONS
6 6 0
5.3980000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2.0780000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.8000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
22.3370000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
82.2900000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.3310000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ G-TYPE FUNCTIONS
4 4 0
4.3380000 1.00000000 0.00000000 0.00000000 0.00000000
1.5130000 0.00000000 1.00000000 0.00000000 0.00000000
49.7270000 0.00000000 0.00000000 1.00000000 0.00000000
0.6630000 0.00000000 0.00000000 0.00000000 1.00000000
$ H-TYPE FUNCTIONS
2 2 0
2.9950000 1.00000000 0.00000000
1.3260000 0.00000000 1.00000000
|