%nprocshared=24
%mem=41GB
#p b3lyp 6-311+G(d,p) empiricaldispersion=gd3 scrf=(pcm,solvent=methylpropanoate) nosymm scf=maxcyc=512

Single point

0 2
 C                 -0.09111700   -0.01650000    1.24063900
 C                 -0.01982600   -1.28596100    0.52555700
 C                  0.70590600   -1.42332500   -0.68553800
 C                 -0.66889100   -2.45217600    0.99232400
 C                  0.77719100   -2.62500100   -1.36868700
 H                  1.25187800   -0.56845600   -1.07231800
 C                 -0.61344300   -3.65881200    0.30399600
 H                 -1.26011300   -2.39878200    1.90129000
 C                  0.11327600   -3.78027400   -0.89758000
 H                  1.38869200   -2.68367100   -2.26380200
 H                 -1.16900000   -4.50249800    0.69732300
 C                 -0.19432700    0.00075700    2.70024600
 C                 -0.93468200    0.99793600    3.37983900
 C                  0.43545900   -0.97914200    3.50487800
 C                 -1.03749900    1.00887500    4.76640700
 H                 -1.45222600    1.75673900    2.80112600
 C                  0.32982400   -0.95893600    4.89109200
 H                  1.02635400   -1.75429100    3.02670100
 C                 -0.40656400    0.03456300    5.55482200
 H                 -1.62969500    1.78354500    5.24934700
 H                  0.83603000   -1.72584600    5.47392300
 C                 -0.06538500    1.24219700    0.49892100
 C                  0.54165400    2.40746600    1.01891000
 C                 -0.64882800    1.36733700   -0.78705200
 C                  0.56446500    3.60832700    0.31811000
 H                  1.01201600    2.36589900    1.99654700
 C                 -0.62524700    2.55807400   -1.49316600
 H                 -1.13679000    0.50502500   -1.23066600
 C                 -0.01756800    3.71731400   -0.96091300
 H                 -1.07050500    2.58930400   -2.48272600
 C                 -0.32087600   -6.20312500   -0.98617200
 C                 -0.03025900   -4.96735600   -3.04639600
 C                  0.21267200   -7.43825400   -1.71112100
 H                 -1.42487000   -6.20882300   -1.01968800
 H                 -0.01103600   -6.25244300    0.06202400
 C                  0.49619700   -6.24194200   -3.69797100
 H                 -1.11431600   -4.88290400   -3.23777200
 H                  0.45779800   -4.10408500   -3.50190400
 H                 -0.26053200   -8.34109700   -1.31419300
 H                  1.30154300   -7.51092800   -1.55564500
 H                  0.22728900   -6.26484800   -4.75807400
 H                  1.59442200   -6.27615000   -3.60843800
 N                  0.22990400   -4.99495200   -1.59871500
 O                 -0.08033900   -7.40050400   -3.10348700
 N                  0.02466400    4.90265700   -1.71967200
 C                 -1.23885300    5.37212500   -2.30925100
 C                  0.81742600    6.02134700   -1.21083600
 C                 -0.95840700    6.42080500   -3.38045200
 H                 -1.88332700    5.81309100   -1.52884300
 H                 -1.78047700    4.53779000   -2.75820300
 C                  1.02525500    7.05235000   -2.31935900
 H                  0.32874000    6.50675100   -0.34727300
 H                  1.79627900    5.65497000   -0.88705000
 H                 -1.89668100    6.83554600   -3.76032500
 H                 -0.40979800    5.95663800   -4.21646200
 O                 -0.21256600    7.51219200   -2.85077100
 H                  1.54407300    7.93051100   -1.92407300
 H                  1.63899000    6.60863300   -3.12038900
 H                  1.03663900    4.46697500    0.78170200
 C                 -0.49187000    0.06998200    7.06151400
 H                  0.34516500    0.63582200    7.49330400
 H                 -1.41609300    0.55099600    7.39977200
 H                 -0.45479500   -0.93773600    7.48973200


