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

coments

0 2
H                 -2.24210600   -0.80601800   -1.29192900
 C                 -5.03871000   -2.20050300   -0.15441700
 H                 -6.12900100   -2.17581700   -0.23541600
 H                 -4.59087400   -3.09480900    0.28590300
 C                 -4.27516200   -1.17999700   -0.58240900
 C                 -4.86460300    0.01602500   -1.25339500
 C                 -6.02829800   -0.07842400   -2.03356400
 C                 -4.25925500    1.27494800   -1.11515900
 C                 -6.57860800    1.05141600   -2.63559800
 H                 -6.50007600   -1.05207500   -2.18604100
 C                 -4.80971800    2.40639200   -1.71601200
 H                 -3.35056500    1.37312600   -0.51716600
 C                 -5.97333500    2.29948400   -2.47750100
 H                 -7.48277700    0.95454400   -3.24152100
 H                 -4.32527700    3.37725900   -1.58633500
 H                 -6.40403700    3.18414100   -2.95254900
 C                 -2.80152700   -1.17774000   -0.41263000
 C                 -2.08781100   -1.51495800    0.66821000
 C                 -2.55620000   -1.95508600    2.01129000
 H                 -3.63973400   -1.80412800    2.13567100
 H                 -2.34234200   -3.02507500    2.16856900
 H                 -2.02778100   -1.40430000    2.80442000

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

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

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

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





