%chk=2_S_opt1.chk
%Mem=57428MB
%NProc=16
#p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP  nosymm SCF=(XQC)

coments

1 1
 Co                 0.45799500   -0.36704300    0.41174000
 C                 -0.98964100    2.01261100    0.38278200
 C                 -1.27712900    3.37044600    0.40052000
 C                 -0.21313800    4.27056600    0.37546100
 C                  1.09233600    3.79943900    0.33041900
 C                  1.29782900    2.42362900    0.31956800
 N                  0.28067800    1.56381500    0.34840000
 H                 -2.30893100    3.72106400    0.43825600
 H                  1.94786200    4.47385400    0.30677000
 H                  2.29655600    1.98640600    0.29019800
 C                 -2.00130200    0.93679900    0.39977700
 C                 -3.37270900    1.14458500    0.37286300
 N                 -1.47825200   -0.30538300    0.43320100
 C                 -4.20981100    0.03029700    0.38662000
 H                 -3.78023700    2.15505800    0.33634300
 C                 -2.27776200   -1.37088000    0.44526200
 C                 -3.66326800   -1.24562200    0.42550000
 H                 -1.78397800   -2.34306000    0.47060300
 H                 -4.28721800   -2.13887000    0.43558400
 C                 -5.70831600    0.24329000    0.37568500
 F                 -6.06900800    1.06319300   -0.61400200
 F                 -6.37688800   -0.89703800    0.22080700
 F                 -6.11606400    0.79973700    1.51968000
 C                  2.77709600   -2.56469700    0.25256700
 H                  3.56023900   -3.31367500    0.14046900
 C                  1.46025500   -3.00056100    0.44922400
 C                  3.14295500   -1.21150600    0.25400400
 O                  2.32020900   -0.24552800    0.37447100
 C                  1.14339100   -4.46365900    0.51853400
 H                  2.04004100   -5.08935500    0.43787900
 H                  0.62893200   -4.67852700    1.46747600
 H                  0.44691800   -4.71752600   -0.29577900
 C                  4.58208800   -0.81307300    0.12712900
 H                  4.87749200   -0.24266500    1.02128600
 H                  5.24578500   -1.67830400    0.01295800
 H                  4.69596200   -0.14461300   -0.73994500
 O                  0.46065200   -2.22170700    0.59020900
 H                  0.39058600   -0.41565000   -0.99688400
 H                 -0.42432409    5.31903785    0.40719780

--link1--
%chk=2_S_opt1.chk
%Mem=57428MB
%NProc=16
#p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=2_S_opt1.chk
%Mem=57428MB
%NProc=16
#p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=2_S_opt1.chk
%Mem=57428MB
%NProc=16
#p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=2_S_opt1.chk
%Mem=57428MB
%NProc=16
#p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read





