Hello,
I´m trying to calculate molecular surface area and volume of gamma-valerolactone in Gaussian 03 using the PCM method. Unfortunately, the Gaussian output file (.LOG) gives only energy-related results from PCM calculations, not surface or volume.
Can anyone experienced in such calculataions help with that problem? Thanks.
Some specifications of my calculations:
DFT B3LYP 6-31G+(d,p) opt
scf=tight
scrf=(PCM,solvent=water)