%nprocshared=24
%mem=100GB
%chk=a1_ts4a.chk
#p opt freq wb97xd/6-311g(d,p) scrf=(smd,solvent=acetonitrile)
temperature=353.15

a1 ts4 a

0 1
 C                 -2.37550000    2.29970400    0.07429200
 H                 -1.77872400    2.61849100   -0.78634200
 H                 -1.99306400    2.81787000    0.95304300
 C                 -3.84072700    2.61654500   -0.15226400
 H                 -4.40240500    2.48941600    0.77781700
 H                 -3.94964400    3.65246300   -0.47696300
 C                 -4.39900500    1.68390700   -1.21074400
 H                 -5.47667600    1.81770500   -1.31353200
 H                 -3.93901400    1.88355700   -2.18604800
 N                 -2.20616800    0.86924400    0.29043900
 H                 -1.28759800    0.54094500    0.58829500
 C                 -5.06826800   -0.71561700   -1.38951900
 H                 -6.07498400   -0.29477000   -1.37896400
 H                 -4.79474100   -0.90784600   -2.43387900
 C                 -5.01725600   -1.99921900   -0.58125600
 H                 -5.60543300   -2.76896000   -1.08324600
 H                 -5.44915200   -1.82914600    0.40918000
 C                 -3.57296800   -2.44304800   -0.44324400
 H                 -3.47889500   -3.26654400    0.26572800
 H                 -3.18833900   -2.78746600   -1.40980000
 C                 -3.04905000   -0.06284700   -0.17685200
 N                 -4.16981800    0.29212300   -0.82730600
 N                 -2.76335000   -1.34135700    0.05270300
 H                 -1.96920400   -1.56626400    0.68970000
 C                  0.32820800   -1.62379400    1.58184600
 O                  0.28577300   -0.62415800    0.58154700
 O                 -0.82116400   -2.06334500    1.80202200
 O                  1.39914000   -1.93573600    2.09008500
 C                  1.75773900    1.32841100    0.91513900
 C                  1.42179300    0.08066100    0.08273100
 H                  1.04894300    0.47361000   -0.87095400
 C                  2.85510500    2.10496700    0.16977300
 H                  3.13970200    2.97516100    0.77168300
 H                  2.41481800    2.48545600   -0.75897100
 C                  2.64226600   -0.78283100   -0.22698000
 H                  2.31307200   -1.64138800   -0.82080200
 H                  3.05747800   -1.17363800    0.70040700
 C                  4.08431200    1.26268800   -0.16653400
 H                  4.80027400    1.88120500   -0.71379300
 H                  4.58414600    0.93035200    0.75089000
 C                  3.69291600    0.02342900   -0.99365500
 H                  3.23097900    0.39349500   -1.92107500
 C                  2.15565800    1.04292100    2.35877400
 H                  2.38531100    1.98914700    2.86193400
 H                  1.34001900    0.55250400    2.89022600
 H                  3.03416700    0.39944000    2.42264200
 C                  5.79498300   -0.11946100   -2.43857500
 H                  6.21675200    0.81866400   -2.06394100
 H                  6.62244800   -0.76991500   -2.72994200
 H                  5.21633000    0.12969500   -3.33491500
 C                  4.91366500   -0.77531100   -1.40789400
 C                  5.21182800   -1.97693700   -0.91394500
 H                  6.10247300   -2.50678600   -1.24023800
 H                  4.59140400   -2.47584000   -0.17735600
 O                  0.55455400    2.10499100    0.90941600
 H                  0.70428800    2.88030100    1.45724300



