%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=9) freq=noraman b3lyp gen scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

1 1
 C                 -1.46190871   -3.48392957    0.13431518
 H                 -2.46362212   -3.67904788   -0.26653261
 H                 -0.80505292   -4.31201988   -0.14154047
 H                 -1.51611896   -3.42223719    1.22914642
 C                  2.27807643   -3.04360391   -0.07225891
 H                  2.00027821   -3.91977880    0.52248384
 H                  2.08544956   -3.24075677   -1.13317238
 H                  3.34048149   -2.83646192    0.07209703
 C                  3.79339329    0.44460017    0.10414344
 H                  4.44069848   -0.29705616   -0.36673736
 H                  4.11729377    1.44730676   -0.18007123
 H                  3.81578229    0.33457058    1.19255003
 C                  1.58478266    3.38976333   -0.12625167
 H                  0.87987001    4.20190112    0.07695185
 H                  2.52429271    3.59593633    0.39187741
 H                  1.76796916    3.32996954   -1.20613950
 C                 -2.17536009    3.13356298    0.18886970
 H                 -1.84071471    4.07943455   -0.24436716
 H                 -3.24897125    3.01906600   -0.00183896
 H                 -2.00317475    3.15792542    1.27342344
 C                 -3.95142831   -0.43478873   -0.19841265
 H                 -3.83725001   -0.41695224   -1.28279121
 H                 -4.38174719   -1.39201509    0.11132533
 H                 -4.59967497    0.38813737    0.11865980
 O                 -2.62136036   -0.27451325    0.34888580
 H                 -2.67063362   -0.32360604    1.31919648
 O                 -1.42979551    2.08559265   -0.44553397
 H                 -1.83191752    1.22781305   -0.17704491
 O                  1.06547394    2.14979075    0.38867225
 H                  0.10988213    2.06882031    0.07944341
 O                  2.44920004    0.24539121   -0.40590181
 H                  1.81836359    1.04574664   -0.07597656
 O                  1.54048502   -1.89420595    0.38703142
 H                  0.57762954   -2.00145407    0.09771028
 O                 -0.90847074   -2.29219076   -0.44145940
 H                 -1.49277004   -1.53885617   -0.19296892
 H                  2.04406631   -0.70892815   -0.05166899

C H O 0
6-31G*
****









