%NProcShared=64
%Mem=211Gb
%Chk=A_catalyst.chk
#B3LYP/ChkBasis Freq=NoRaman POP=NBORead Integral=UltraFineGrid
#geom=check guess=read

A_catalyst frequency and population

1 1

$NBO BNDIDX $END

--Link1--
%NProcShared=64
%Mem=211Gb
%Chk=A_catalyst.chk
#B3LYP/ChkBasis  output=wfn Integral=UltraFineGrid POP=None
#geom=check guess=read

A_catalyst wfn
                                                                                                               
1 1

A_catalyst.wfn

--Link1--
%NProcShared=64
%Mem=211Gb
%Chk=A_catalyst.chk
#B3LYP/ChkBasis  gfinput iop(6/7=3) output=wfx Integral=UltraFineGrid
#geom=check guess=read

A_catalyst wfx and molden orbitals

1 1

A_catalyst.wfx