%NProcShared=64
%Mem=64Gb
%Chk=mol
#N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) NoSymm Int=UltraFine Geom=AllCheckpoint Guess=Read Freq=NoRaman SCF=XQC Test

NEW-compound opt 6-31G