%chk=CoIII_ald_iso_ins2.chk
%Mem=57428MB
%NProc=16
#p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP  nosymm SCF=(XQC)

coments

1 1
 Co                -1.75040700   -0.29043500   -0.05672500
 C                  1.07106900   -0.92581000    0.03993500
 C                  2.25795200   -1.62163000    0.24533100
 C                  2.22507700   -3.01370500    0.18633100
 C                  1.02889900   -3.66870000   -0.07262100
 C                 -0.11308600   -2.89290000   -0.25296600
 N                 -0.08294800   -1.56585300   -0.19525300
 H                  3.19410200   -1.10193400    0.44807500
 H                  0.96705600   -4.75484200   -0.13265500
 H                 -1.08201000   -3.35383400   -0.45354200
 C                  0.97350400    0.55432100    0.01449700
 C                  2.09387100    1.37429900    0.08409500
 N                 -0.26845900    1.06765800   -0.14416000
 C                  1.93252200    2.75089800   -0.04318800
 H                  3.08900400    0.95002700    0.21683200
 C                 -0.40577700    2.38476900   -0.29264600
 C                  0.66526400    3.27063400   -0.25006700
 H                 -1.40811500    2.76828700   -0.45991500
 H                  0.48754200    4.33784100   -0.37736200
 C                  3.51031200   -3.77962500    0.40867100
 F                  4.45057900   -3.39782200   -0.46050600
 F                  3.34448200   -5.09337000    0.27181900
 F                  3.99266900   -3.55827400    1.63466200
 C                  3.15366500    3.64124700    0.01771800
 F                  4.01183300    3.33801200   -0.95998600
 F                  2.84164800    4.92938100   -0.10377200
 F                  3.80159700    3.48732900    1.17514000
 C                 -3.12394700   -2.04950300    2.17204400
 H                 -3.61347700   -2.63202100    2.95126400
 C                 -2.22990000   -1.04406700    2.56789800
 C                 -3.39456800   -2.37634900    0.83455000
 O                 -2.88626600   -1.77391500   -0.16332000
 C                 -1.96864200   -0.79520500    4.02361800
 H                 -2.45406800   -1.53893200    4.66631400
 H                 -0.88370800   -0.79904300    4.20499800
 H                 -2.34133400    0.20774100    4.28463900
 C                 -4.31620400   -3.51017200    0.50201400
 H                 -3.75789800   -4.27451900   -0.06076900
 H                 -4.75266500   -3.96752400    1.39773800
 H                 -5.11929600   -3.14216900   -0.15420300
 O                 -1.58606400   -0.27891800    1.78009400
 C                 -3.33100600    0.83750300   -0.02866200
 H                 -4.13009400    0.10651400    0.15167700
 C                 -3.41386500    1.26183600   -1.48380400
 H                 -4.38604843    1.04125737   -1.95684842
 C                 -2.35801756    0.66129165   -2.38102200
 H                 -2.45444737    0.94975316   -3.45600177
 O                 -1.46653048   -0.06319839   -2.01728962
 C                 -3.48069300    1.93171100    1.00873400
 H                 -4.42006100    2.48237400    0.82488700
 H                 -3.54867400    1.50520200    2.01963700
 H                 -2.67105800    2.67429600    1.01749900
 H                 -3.28935430    2.36107699   -1.61362845

--link1--
%chk=CoIII_ald_iso_ins2.chk
%Mem=57428MB
%NProc=16
#p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoIII_ald_iso_ins2.chk
%Mem=57428MB
%NProc=16
#p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoIII_ald_iso_ins2.chk
%Mem=57428MB
%NProc=16
#p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoIII_ald_iso_ins2.chk
%Mem=57428MB
%NProc=16
#p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read