MOLPRO Basis Query, basis=midi-bang
Molpro basis library midi_bang
Generated from data/midi_bang.bas at Mon Jul 5 13:34:18 BST 1999
Literature Citation
S. Huzinaga, Ed.,J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai,
H. Tatewaki in Gaussian Basis Sets for Molecular Calculations:
Elsevier, Amsterdam, 1984.
R. E. Easton, D. J. Giesen, A. Welch, C. J. Cramer, D. G. Truhlar,
Theor. Chim. Acta, In Press.
HYDROGEN (3S) -> [2S]
CARBON (6S,3P) -> [3S,2P]
NITROGEN (6S,3P,1D) -> [3S,2P,1D]
OXYGEN (6S,3P,1D) -> [3S,2P,1D]
FLUORINE (6S,3P,1D) -> [3S,2P,1D]
SILICON (9S,6P,1D) -> [4S,3P,1D]
PHOSPHORUS (9S,6P,1D) -> [4S,3P,1D]
SULFUR (9S,6P,1D) -> [4S,3P,1D]
CHLORINE (9S,6P,1D) -> [4S,3P,1D]
BROMINE (15S,9P,4D) -> [5S,4P,2D]
IODINE (18S,12P,7D) -> [6S,5P,3D]