%mem=43GB
%nprocshared=20
%chk=ketone_a.chk
#p opt freq b3lyp/gen scrf=(solvent=thf,pcm) empiricaldispersion=gd3bj

ketone_a

0 1
 C                  0.44903700   -1.31860600    0.00004300
 C                 -1.09595700   -1.34577400    0.00060900
 C                 -1.87303400   -0.00000300   -0.00081700
 C                 -1.09595800    1.34577600    0.00006500
 C                  0.44903400    1.31860800    0.00057000
 C                  1.18654100   -0.00000200   -0.00005500
 H                  0.84127900   -1.86095500    0.86609100
 H                 -1.41772800   -1.92512300   -0.86667000
 H                 -2.53415500   -0.00016500   -0.86935200
 H                 -1.41718200    1.92450400   -0.86783100
 H                  0.84130200    1.86151800   -0.86510700
 O                  2.40732300    0.00000200   -0.00051000
 H                  0.84070800    1.86029300    0.86729600
 H                 -1.41781400    1.92384200    0.86817000
 H                 -2.53644700    0.00016400    0.86596600
 H                 -1.41725500   -1.92322700    0.86933000
 H                  0.84073100   -1.86086000   -0.86631100

C H O 
6-31G(d)
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