%chk=alk_rad_iso.chk
%Mem=57428MB
%NProc=16
#p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP  nosymm SCF=(XQC)

coments

0 2
H                 -1.49644400    1.31429800   -3.07720600
 C                 -2.95351400    3.07615900    0.49729600
 H                 -3.61048000    3.41339200    1.30462500
 H                 -2.23919800    3.80231200    0.10147500
 C                 -3.04254900    1.82919300    0.00380400
 C                 -4.02899600    0.85674200    0.55760800
 C                 -4.23068000    0.73542200    1.93924200
 C                 -4.77308100    0.04040700   -0.30433600
 C                 -5.14598700   -0.18543900    2.44676700
 H                 -3.64301400    1.35132200    2.62429100
 C                 -5.69687400   -0.87266000    0.20121300
 H                 -4.61871400    0.11850400   -1.38299400
 C                 -5.88119800   -0.99427300    1.57920300
 H                 -5.27882500   -0.27773000    3.52748400
 H                 -6.27036500   -1.49996500   -0.48539100
 H                 -6.59507700   -1.71986900    1.97626900
 C                 -2.18397800    1.36646500   -1.10496000
 C                 -2.23570200    1.75194200   -2.38228900
 C                 -3.19807400    2.71986500   -3.00798900
 H                 -3.94806500    3.07304500   -2.28618500
 H                 -2.66479800    3.59763600   -3.40893900
 H                 -3.72071800    2.25050700   -3.85715800

--link1--
%chk=alk_rad_iso.chk
%Mem=57428MB
%NProc=16
#p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=alk_rad_iso.chk
%Mem=57428MB
%NProc=16
#p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=alk_rad_iso.chk
%Mem=57428MB
%NProc=16
#p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=alk_rad_iso.chk
%Mem=57428MB
%NProc=16
#p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read





