%chk=alk_rad_iso_ts1_relax.chk
%Mem=57428MB
%NProc=16
#p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP  nosymm SCF=(XQC)

coments

0 2
 H                 -1.26641100    1.79728900   -2.88552700
 C                 -3.22949400    3.59459400    0.51630400
 H                 -3.96333100    3.86296600    1.29542400
 H                 -2.56789000    4.39622200    0.15047000
 C                 -3.13122200    2.36297900    0.05565500
 C                 -3.93891700    1.23690000    0.62463400
 C                 -4.16091900    1.13902800    2.01349300
 C                 -4.46030400    0.23721500   -0.20276600
 C                 -4.89074000    0.07652500    2.54546400
 H                 -3.73189800    1.89317300    2.68218700
 C                 -5.19979400   -0.81573100    0.32843100
 H                 -4.28504000    0.28789300   -1.28120800
 C                 -5.41425700   -0.90653600    1.70513300
 H                 -5.04380200    0.01264100    3.62546400
 H                 -5.60466300   -1.58172900   -0.33728400
 H                 -5.98354600   -1.74029600    2.12286700
 C                 -1.99334000    1.94725100   -0.94245000
 C                 -2.14503900    2.12781100   -2.30317800
 C                 -3.27356800    2.60548600   -3.18841300
 H                 -4.16930300    2.91780500   -2.63740900
 H                 -2.92937800    3.44090400   -3.81685600
 H                 -3.55103600    1.78859300   -3.87699700
 C                 -0.80310000    1.23023600   -0.22912100
 H                 -0.93968900    1.44110100    0.87987400
 C                  0.48484800    1.89109500   -0.65499100
 H                  1.03771000    1.49477100   -1.52245400
 C                  0.91723500    3.12252600   -0.09657700
 H                  1.80720700    3.59534400   -0.58605000
 O                  0.36989900    3.68712200    0.85642500
 C                 -0.76851700   -0.31784100   -0.47107700
 H                 -0.54319500   -0.53041600   -1.52731700
 H                  0.03018400   -0.82057300    0.15239100
 H                 -1.75064300   -0.78820500   -0.24069700

--link1--
%chk=alk_rad_iso_ts1_relax.chk
%Mem=57428MB
%NProc=16
#p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=alk_rad_iso_ts1_relax.chk
%Mem=57428MB
%NProc=16
#p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=alk_rad_iso_ts1_relax.chk
%Mem=57428MB
%NProc=16
#p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=alk_rad_iso_ts1_relax.chk
%Mem=57428MB
%NProc=16
#p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read