%nprocshared=24
%mem=100GB
%chk=diol.chk
#p opt freq wb97xd/6-311g(d,p) scrf=(smd,solvent=acetonitrile)
temperature=353.15

Diol

0 1
 C                 -0.77602600   -0.60001000   -0.62904700
 C                 -0.85595500    0.68513400    0.16824600
 C                 -0.05151000    1.75741900   -0.55304600
 C                  1.66654200   -0.25026600   -0.87407600
 C                  0.55064000   -1.28871200   -0.46841100
 H                 -0.70726600    2.30326500   -1.23526500
 H                 -0.95538300   -0.37482000   -1.68519400
 H                  2.17646500   -0.67999100   -1.74275700
 H                  0.60231600   -2.17716900   -1.09876800
 H                  0.67174100   -1.61049800    0.56804900
 H                  0.33978300    2.47452600    0.17090900
 C                 -0.48136400    0.55681100    1.63815900
 H                 -0.79918300    1.46630500    2.15365000
 H                 -0.96859700   -0.30027400    2.11023100
 H                  0.59721600    0.45697600    1.75985000
 C                  1.08814800    1.10010900   -1.37713600
 H                  1.90781900    1.81178400   -1.49213700
 H                  0.70923600    0.92034500   -2.38610100
 C                  2.73864900   -0.15129000    0.19617400
 C                  3.04542900    0.97147200    0.84391200
 H                  2.52831600    1.90819400    0.66651400
 H                  3.83840700    0.98586300    1.58602300
 C                  3.48654500   -1.43175300    0.45818700
 H                  2.81595000   -2.22401600    0.80646300
 H                  3.95279000   -1.79573100   -0.46422800
 H                  4.26624800   -1.29274500    1.20966900
 O                 -2.27324521    0.87153057    0.13023570
 H                 -2.49050954    1.74570238    0.46222946
 O                 -1.94227686   -1.29251444   -0.17606076
 H                 -2.23014326   -1.91116533   -0.85134145


