MOLPRO Basis Query, basis=STO6G
Molpro basis library sto6g (STO-6G)
Generated from data/sto6g.bas at Mon Jul 5 13:49:41 BST 1999
Literature Citation
Elements References
-------- ----------
H - Ne: W.J. Hehre, R.F. Stewart and J.A. Pople, J. Chem. Phys. 51, 2657
(1969).
Na - Ar: W.J. Hehre, R. Ditchfield, R.F. Stewart and J.A. Pople,
J. Chem. Phys. 52, 2769 (1970).
HYDROGEN (6S) -> [1S]
HELIUM (6S) -> [1S]
LITHIUM (12S,6P) -> [2S,1P]
BERYLLIUM (12S,6P) -> [2S,1P]
BORON (12S,6P) -> [2S,1P]
CARBON (12S,6P) -> [2S,1P]
NITROGEN (12S,6P) -> [2S,1P]
OXYGEN (12S,6P) -> [2S,1P]
FLUORINE (12S,6P) -> [2S,1P]
NEON (12S,6P) -> [2S,1P]
SODIUM (18S,12P) -> [3S,2P]
MAGNESIUM (18S,12P) -> [3S,2P]
ALUMINUM (18S,12P) -> [3S,2P]
SILICON (18S,12P) -> [3S,2P]
PHOSPHORUS (18S,12P) -> [3S,2P]
SULFUR (18S,12P) -> [3S,2P]
CHLORINE (18S,12P) -> [3S,2P]
ARGON (18S,12P) -> [3S,2P]
POTASSIUM (24S,18P) -> [4S,3P]
CALCIUM (24S,18P) -> [4S,3P]
SCANDIUM (24S,18P,6D) -> [4S,3P,1D]
TITANIUM (24S,18P,6D) -> [4S,3P,1D]
VANADIUM (24S,18P,6D) -> [4S,3P,1D]
CHROMIUM (24S,18P,6D) -> [4S,3P,1D]
MANGANESE (24S,18P,6D) -> [4S,3P,1D]
IRON (24S,18P,6D) -> [4S,3P,1D]
COBALT (24S,18P,6D) -> [4S,3P,1D]
NICKEL (24S,18P,6D) -> [4S,3P,1D]
COPPER (24S,18P,6D) -> [4S,3P,1D]
ZINC (24S,18P,6D) -> [4S,3P,1D]
GALLIUM (24S,18P,6D) -> [4S,3P,1D]
GERMANIUM (24S,18P,6D) -> [4S,3P,1D]
ARSENIC (24S,18P,6D) -> [4S,3P,1D]
SELENIUM (24S,18P,6D) -> [4S,3P,1D]
BROMINE (24S,18P,6D) -> [4S,3P,1D]
KRYPTON (24S,18P,6D) -> [4S,3P,1D]