Quantum Chemistry with GAMESS - Materials Computation Center

Some key groups$BASIS - Used to select among the built-in basis setsGBASIS=STON21N31TZV...NGAUSS=(# gaussians for STO, N21, N31)NDFUNC=(# sets of d’s on heavy atomsNPFUNC=(# sets of p’s on hydrogens)NFFUNC=(# sets of f’s on TM’s)DIFFSP=.T. (diffuse sp functions on heavy atoms)DIFFS=.T. (diffuse s functions on hydrogens)