31.1 INTERNAL BASIS SETS

The following internal basis sets are available.


Table 21: Internal basis sets in SMILES
Atoms
Basis set H-He Li-Be B-Ne Na-Ar
VB1 [3,1] [5,1] [5,3,1] --
CVB1 [3,1] [6,2] [6,4,1] --
FVB1 [3,2,1] [5,3,1,1] [5,4,2,1] --
ZVB1 [3,1] [4,3,1] [4,3,1] [6,5,1]
VB2 [4,2,1] [6,2,1] [6,4,2,1] --
CVB2 [4,2,1] [7,3,2] [7,5,3,1] --
ZVB2 [4,2,1] [5,4,2,1] [5,4,2,1] [7,6,2,1]
VB3 [5,3,2,1] [7,3,2,1] [7,5,3,2,1] --
CVB3 [5,3,2,1] [8,4,3,2] [8,6,4,3,1] --
ZVB3 [5,3,2,1] [6,5,3,2,1] [6,5,3,2,1] [8,7,3,2,1]



molpro@molpro.net 2018-12-09