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

Single point

0 1
 C                 -0.29760800   -0.32922900   -1.10046300
 C                 -1.70865000   -0.38025900   -0.54588900
 C                 -2.72494100    0.32785700   -1.20176000
 C                 -2.04297100   -1.01810500    0.65514000
 C                 -4.01890600    0.38934600   -0.69874900
 H                 -2.49172700    0.86857400   -2.11610400
 C                 -3.33238600   -0.97139400    1.17506700
 H                 -1.28271100   -1.57536100    1.19502300
 C                 -4.36137900   -0.25796100    0.51393600
 H                 -4.76420700    0.94523600   -1.25439400
 H                 -3.53419500   -1.49431800    2.10207200
 C                  0.59401600   -1.52486800   -0.79006300
 C                  1.95785800   -1.36764900   -0.51954000
 C                  0.10264800   -2.83487400   -0.85586700
 C                  2.79308400   -2.45960100   -0.29857200
 H                  2.37817500   -0.36781100   -0.47654100
 C                  0.92350000   -3.93911000   -0.64835700
 H                 -0.95033400   -3.00157500   -1.06601800
 C                  2.30158600   -3.78370700   -0.36680700
 H                  3.83658100   -2.27095300   -0.07638700
 H                  0.48074400   -4.92636600   -0.70304700
 N                  3.13432100   -4.88073800   -0.17911700
 C                  4.46607300   -4.66603600    0.36744000
 C                  2.53624800   -6.19628600   -0.00582600
 H                  4.44663200   -4.18903100    1.36061900
 H                  5.06620200   -4.03630600   -0.29930300
 H                  1.86143900   -6.24668900    0.86391000
 H                  1.96520200   -6.48651200   -0.89515700
 N                 -5.64292600   -0.18722800    1.03418100
 C                 -6.71176800    0.37787500    0.22397000
 C                 -6.00304300   -1.03518100    2.16052100
 H                 -6.86558600   -0.17341100   -0.71683400
 H                 -6.50419500    1.42497000   -0.02644100
 H                 -5.88885800   -2.10719100    1.93560000
 H                 -5.38833200   -0.80561000    3.03910000
 O                  0.36603000    0.91697100   -0.74375500
 C                  0.37759600    1.24562900    0.66039100
 H                 -0.62778800    1.56076800    0.96617600
 H                  0.64569200    0.35949700    1.24697200
 C                  1.38369300    2.34687500    0.85823200
 C                  2.61890800    2.09576300    1.46242600
 C                  1.10996400    3.64505900    0.40386500
 C                  3.55808300    3.11803400    1.61757500
 H                  2.85048200    1.09222000    1.81246400
 C                  2.05211500    4.66009800    0.55336700
 H                  0.16444000    3.84917100   -0.09213900
 C                  3.29038500    4.41657300    1.16833800
 H                  4.51270400    2.90194700    2.09202300
 H                  1.82478000    5.65987200    0.18957600
 C                  4.29054400    5.53302600    1.35740400
 H                  4.32177200    6.19389600    0.48388700
 H                  4.02771000    6.15547600    2.22301300
 H                  5.29988900    5.14429700    1.52725500
 C                  0.16033600    3.36398900   -3.07538000
 H                 -0.24498000    4.15785300   -3.71132500
 H                  1.02167400    3.77015500   -2.52328800
 H                  0.52337300    2.55449700   -3.72792100
 O                 -0.87812800    2.93422700   -2.20635200
 H                 -0.49184400    2.22528600   -1.64908000
 H                 -0.37050700   -0.23009600   -2.19108000
 H                  4.97575900   -5.62693700    0.45709400
 H                  3.32829000   -6.93485600    0.12986600
 H                 -7.64303200    0.35365700    0.79205300
 H                 -7.04405900   -0.85039900    2.43009100


