Thomas Patko
tpatko@gmail.com
I am looking to find the PC GAMESS equivalent options for the following Gaussian job:
#P B3LYP/cc-pVTZ SCRF(IEFPCM,Solvent=Ether) SCF(Conver=6) NoSymm Test
Pop=mk IOp(6/33=2) GFInput GFPrint
I believe that I should be using the B3LYP1 hybrid functional (using VWN formula 1 RPA correlation as in Gaussian 98/03/09). I also realize that I will need to provide my own cc-pVTZ basis set. More specifically I am looking for equivalents to these specific portions of this this job.
SCRF(IEFPCM,Solvent=Ether)
and
Pop=mk IOp(6/33=2) GFInput GFPrint
If anyone could advise of some suggestions I would be appreciative.
Cheers,
Thomas