%mem=22GB
%nprocshared=12
#p scrf=(solvent=n,n-DiMethylFormamide,smd)  freq=noraman b97d genecp  opt=(ts,calcfc,noeigen,nomicro)

op

0 1
 C                 -1.19572800   -0.09924300   -0.03228900
 C                  0.29109000   -0.10344100   -0.02568100
 C                  1.02959900    0.89689300   -0.69907000
 C                  0.99789600   -1.13622300    0.63420800
 C                  2.43244800    0.87582000   -0.69683100
 H                  0.49619700    1.68195200   -1.23720700
 C                  2.40118200   -1.15827500    0.63338600
 H                  0.44293000   -1.91249000    1.16546600
 C                  3.12321800   -0.15143000   -0.03025300
 H                  2.98576700    1.65707400   -1.22250200
 H                  2.92980100   -1.95917300    1.15474300
 H                  4.21517000   -0.16875200   -0.03095100
 C                 -1.97484300    0.98998600    0.22172100
 C                 -1.53283700    2.36445800    0.61119800
 H                 -3.05671900    0.83257900    0.15426000
 H                 -2.13198900    2.71921900    1.46843600
 H                 -0.46477500    2.41336200    0.86488400
 C                 -1.87377400   -1.39422400   -0.34640600
 O                 -2.26321903   -2.22006742    0.47678338
 H                 -2.02665878   -1.57503237   -1.43810604
 H                 -1.72612200    3.07681900   -0.21267700

C O H 0
6-31g(d)
****




