H2O-01.inp  
Li.inp  
Ne2.inp  
H2O-02.inp 
H2O-03.inp 
H2O_B2PLYP_GPW.inp 
H2O_B2PLYP.inp 
H2O_B2GPPLYP.inp 
H2O_DSD-BLYP.inp 
H2O_B2PLYP_D3.inp 
CH3_GPW.inp 
CH3_B2PLYP_allelec.inp 
