%Mem=50Gb
%NProcShared=40
%Chk=Br.chk
#UM06/Def2svpp Opt=(CalcFc) SCRF=(PCM,solvent=Acetonitrile) Integral=UltraFineGrid POP=NONE
#SCF=Tight 

Br wavefunction stability

0 2
 Br                  0.00000000    0.00000000    0.00000000

--Link1--
%Mem=50Gb
%NProcShared=40
%Chk=Br.chk
#UM06/Def2svpp Stable SCRF=(PCM,solvent=Acetonitrile) Integral=UltraFineGrid 
#SCF=Tight geom=check guess=read

Br frequencies and NBO

0 2

--Link1--
%Mem=50Gb
%NProcShared=40
%Chk=Br.chk
#UM06/Def2svpp Freq=NoRaman SCRF=(PCM,solvent=Acetonitrile) Integral=UltraFineGrid POP=NBORead
#SCF=Tight geom=check guess=read

Br frequencies and NBO

0 2

$NBO BNDIDX $END

--Link1--
%Mem=50Gb
%NProcShared=40
%Chk=Br.chk
#UM06/Def2svpp SCRF=(PCM,solvent=Acetonitrile) Integral=UltraFineGrid POP=NONE
#SCF=Tight geom=check guess=read output=wfn

Br wfn

0 2

Br.wfn

--Link1--
%Mem=50Gb
%NProcShared=40
%Chk=Br.chk
#UM06/Def2svpp SCRF=(PCM,solvent=Acetonitrile) Integral=UltraFineGrid POP=NONE
#SCF=Tight geom=check guess=read output=wfx

Br wfx

0 2

Br.wfx