%chk=CoIII_acac_H.chk
%Mem=57428MB
%NProc=24
#p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP  nosymm SCF=(XQC)

coments

1 1
 Co                 0.38947694   -0.22542052    0.27031676
 C                 -0.99820062    2.08294077    0.29904135
 C                 -1.29451442    3.44499612    0.23867570
 C                 -0.22877523    4.35129876    0.28662978
 C                  1.08214228    3.85502490    0.39674227
 C                  1.30033716    2.46487525    0.42275129
 N                  0.25295534    1.63477484    0.34035695
 H                 -2.30574046    3.78649714    0.16318427
 H                  1.90963070    4.53059512    0.45812476
 H                  2.29368316    2.07523806    0.50241674
 C                 -2.03059541    0.95429858    0.35105462
 C                 -3.41511251    1.12670037    0.34551394
 N                 -1.47028227   -0.24911560    0.42717569
 C                 -4.21872104   -0.01061900    0.48764796
 H                 -3.84929072    2.09904582    0.24095016
 C                 -2.19815016   -1.35976666    0.59900921
 C                 -3.60201589   -1.26582477    0.63273569
 H                 -1.71749869   -2.30989552    0.70450481
 H                 -4.19688623   -2.14521601    0.76577829
 C                 -0.48830269    5.86796879    0.22372116
 F                 -1.20988401    6.15561913   -0.88039734
 F                  0.69026661    6.52453256    0.17474737
 F                 -1.17279835    6.25330256    1.32166633
 C                 -5.75387040    0.11150632    0.48900668
 F                 -6.15622086    0.74085355   -0.63550929
 F                 -6.30327912   -1.12073751    0.53617857
 F                 -6.14785847    0.82146074    1.56754186
 C                  2.80336674   -2.64461053    0.34230361
 H                  3.56018441   -3.39740055    0.41602063
 C                  1.45414123   -3.01352614    0.25620048
 C                  3.16137320   -1.28975104    0.33185941
 O                  2.27129918   -0.40441375    0.24516044
 C                  1.06072773   -4.50238280    0.26767486
 H                  1.51786596   -4.99849534   -0.56286531
 H                  1.39406889   -4.95235573    1.17943582
 H                 -0.00309733   -4.59076223    0.19442654
 C                  4.64403860   -0.88434927    0.42647811
 H                  5.05710929   -1.25381851    1.34177320
 H                  5.18091213   -1.29995531   -0.40052759
 H                  4.72425758    0.18240117    0.40393027
 O                  0.56406705   -2.12818880    0.16950393
 H                  0.31757621   -0.05700076   -1.17815315

--link1--
%chk=CoIII_acac_H.chk
%Mem=57428MB
%NProc=24
#p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoIII_acac_H.chk
%Mem=57428MB
%NProc=24
#p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoIII_acac_H.chk
%Mem=57428MB
%NProc=24
#p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoIII_acac_H.chk
%Mem=57428MB
%NProc=24
#p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read