%chk=CoII_L_acac_opt1.chk
%Mem=57428MB
%NProc=16
#p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP  nosymm SCF=(XQC)

coments

1 2
 Co                 1.82803200   -0.00885000    0.00713000
 C                 -0.87472400   -0.74758800    0.00503300
 C                 -2.01804100   -1.53337800    0.04361600
 C                 -1.86778900   -2.91958900    0.03397200
 C                 -0.59834200   -3.47862800   -0.01920000
 C                  0.49810900   -2.62237000   -0.05319600
 N                  0.35611700   -1.29807500   -0.03878800
 H                 -3.00832600   -1.07918900    0.08652400
 H                 -0.44375700   -4.55702500   -0.02900700
 H                  1.52279200   -2.99517800   -0.09060700
 C                 -0.87312500    0.73171000    0.01383200
 C                 -2.01898300    1.51857100   -0.02537200
 N                  0.35583500    1.28040100    0.05562200
 C                 -1.86943500    2.90119300   -0.01978600
 H                 -3.00729700    1.06260100   -0.06587800
 C                  0.49854900    2.60717200    0.06840200
 C                 -0.59617400    3.46097300    0.03309100
 H                  1.52361400    2.97874800    0.10559800
 H                 -0.44192500    4.54049300    0.04146500
 C                 -3.10838600   -3.78363500    0.08488200
 F                 -3.81394200   -3.53901900    1.19243700
 F                 -2.81900100   -5.08266100    0.06906500
 F                 -3.90683600   -3.53336700   -0.95626800
 C                  5.04959100   -0.01071700   -0.00131800
 H                  6.13920700   -0.01121100   -0.00505000
 C                  4.38693000    1.22146500    0.10960800
 O                  3.12223000    1.36043600    0.13404800
 C                  4.38510300   -1.24227600   -0.10718900
 O                  3.12011900   -1.37972300   -0.12295400
 C                  5.17436100    2.49511600    0.20498000
 H                  6.25679000    2.31967900    0.21472100
 H                  4.91840900    3.13833900   -0.65141200
 H                  4.88146800    3.03551000    1.11802700
 C                  5.17016600   -2.51701500   -0.20750800
 H                  4.87131600   -3.05644300   -1.11922200
 H                  6.25278900   -2.34322900   -0.22331700
 H                  4.91801700   -3.16039700    0.64988200
 H                 -2.72490173    3.54096805   -0.08114201

--link1--
%chk=CoII_L_acac_opt1.chk
%Mem=57428MB
%NProc=16
#p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoII_L_acac_opt1.chk
%Mem=57428MB
%NProc=16
#p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoII_L_acac_opt1.chk
%Mem=57428MB
%NProc=16
#p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read

--link1--
%chk=CoII_L_acac_opt1.chk
%Mem=57428MB
%NProc=16
#p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read





