MOLPRO Basis Query, basis=AV6Z
Molpro basis library aug_cc_pv6z (aug-cc-pV6Z)
Generated from aug_cc_pv6z.bas at Mon Dec 4 05:21:38 GMT 2000
Literature Citation
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).
As: D. Feller, M. Vasiliu, D.J. Grant and D.A. Dixon, J. Phys. Chem. A
115, 14667 (2011).
POLARIZATION AND/OR DIFFUSE FUNCTIONS
Elements References
-------- ---------
H : K.A. Peterson, D.E. Woon (unpublished)
B - O: A.K. Wilson, T. van Mourik and T.H. Dunning, Jr. (to be published)
Cl:
HYDROGEN (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
HYDROGEN (1s,1p,1d,1f,1g,1h)
HELIUM (10s,5p,4d,3f,2g,1h) -> [6s,5p,4d,3f,2g,1h]
HELIUM (1s,1p,1d,1f,1g,1h)
BORON (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
BORON (1s,1p,1d,1f,1g,1h,1i)
CARBON (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
CARBON (1s,1p,1d,1f,1g,1h,1i)
NITROGEN (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
NITROGEN (1s,1p,1d,1f,1g,1h,1i)
OXYGEN (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
OXYGEN (1s,1p,1d,1f,1g,1h,1i)
FLUORINE (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
FLUORINE (1s,1p,1d,1f,1g,1h,1i)
NEON (16s,10p,5d,4f,3g,2h,1i) -> [7s,6p,5d,4f,3g,2h,1i]
NEON (1s,1p,1d,1f,1g,1h,1i)
ALUMINUM (1s,1p,1d,1f,1g,1h,1i)
SILICON (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
SILICON (1s,1p,1d,1f,1g,1h,1i)
PHOSPHORUS (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
PHOSPHORUS (1s,1p,1d,1f,1g,1h,1i)
SULFUR (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
SULFUR (1s,1p,1d,1f,1g,1h,1i)
CHLORINE (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
CHLORINE (1s,1p,1d,1f,1g,1h,1i)
ARGON (21s,14p,5d,4f,3g,2h,1i) -> [8s,7p,5d,4f,3g,2h,1i]
ARGON (1s,1p,1d,1f,1g,1h,1i)
ARSENIC (30s,18p,14d,4f,3g,2h,1i) -> [9s,8p,6d,4f,3g,2h,1i]
ARSENIC (1s,1p,1d,1f,1g,1h,1i)