 chk=c32z1.chk
%mem=1000MB
%nproc=20
#p b97d scrf=(smd,solvent=n,n-dimethylformamide) genecp opt freq

32 isomer E optimization base I

0 1
 C                 -0.29071800   -0.59318100   -1.09137100
 C                  0.74100300   -1.36065800   -0.63679600
 C                  0.68569500   -2.87969900   -0.73460100
 H                 -0.26331600   -3.26269800   -0.31308400
 H                  1.50849100   -3.32240900   -0.14692100
 C                 -1.52551400   -1.19036700   -1.77617400
 H                 -1.56863300   -2.27649000   -1.63012700
 H                 -1.46152200   -1.02135000   -2.86214700
 C                  1.99883200   -0.77963700   -0.08802000
 C                  2.54999200   -1.26313000    1.11940100
 C                  2.68702400    0.25947500   -0.75732500
 C                  3.72602600   -0.71040100    1.64913100
 H                  2.04003000   -2.06159000    1.66308300
 C                  3.86462000    0.80178400   -0.23036000
 H                  2.28870600    0.63926100   -1.69910800
 C                  4.40391500    0.33122400    0.98655500
 H                  4.12267700   -1.08954200    2.59450500
 H                  4.37807800    1.60183000   -0.77054400
 C                 -0.34150700    0.88854900   -0.93173400
 C                 -0.68090500    1.71902900   -2.02314900
 C                 -0.13827100    1.48537300    0.33219500
 C                 -0.77983400    3.11014300   -1.86306500
 H                 -0.85630800    1.27053400   -3.00331700
 C                 -0.24111100    2.87403200    0.49473600
 H                  0.09491100    0.84845300    1.18607300
 C                 -0.55846800    3.69323800   -0.60358400
 H                 -1.03173700    3.73717100   -2.72126400
 H                 -0.08236400    3.31686000    1.48054800
 H                 -0.63997500    4.77492300   -0.47694600
 N                 -2.79632600   -0.58721800   -1.34371200
 H                 -2.99328300    0.28075700   -1.83693900
 C                 -3.09743700   -0.49680600    0.01821700
 C                 -2.60231200   -1.43472200    0.95836800
 C                 -3.94293600    0.54324800    0.48202800
 C                 -2.95257800   -1.33024500    2.31321800
 H                 -1.94900200   -2.24120600    0.62701200
 C                 -4.28802700    0.63329700    1.83580700
 H                 -4.31347300    1.28080100   -0.23484800
 C                 -3.79480100   -0.30069000    2.76712500
 H                 -2.55606800   -2.06345900    3.02007900
 H                 -4.93802200    1.44696800    2.16725000
 H                 -4.05885200   -0.22383000    3.82369100
 O                  0.80534000   -3.25510600   -2.12365400
 H                  0.72627800   -4.22867000   -2.13945900
 H                  5.30673560    0.74722365    1.38248335

C N O H
6-31G(d)
*****




