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

Single point

0 1
 C                 -0.07603200    0.17363000   -0.76123000
 C                 -1.30815900   -0.61724100   -0.31089300
 C                 -2.55249000   -0.33493100   -0.90400500
 C                 -1.30122700   -1.49860200    0.77193300
 C                 -3.72153500   -0.92808000   -0.45253000
 H                 -2.61044500    0.39069700   -1.70878700
 C                 -2.46987300   -2.11575000    1.22386100
 H                 -0.37018000   -1.72583400    1.27966100
 C                 -3.71034800   -1.84670600    0.62010300
 H                 -4.66285100   -0.65128300   -0.91638300
 H                 -2.39626400   -2.81582500    2.04777500
 C                  1.26730000   -0.38104900   -0.25558600
 C                  2.25818500    0.47103800    0.24968200
 C                  1.59397100   -1.73299900   -0.40238300
 C                  3.50494500   -0.01374800    0.62903500
 H                  2.05908800    1.53383800    0.32678000
 C                  2.83733900   -2.23214200   -0.01560700
 H                  0.86242900   -2.42049600   -0.81684100
 C                  3.82332300   -1.38104800    0.51713800
 H                  4.25347300    0.68524000    0.98960300
 H                  3.02396900   -3.29433000   -0.12361400
 C                  0.04338200    0.27242700   -2.29142900
 C                  0.65177500    1.38959900   -2.87855600
 C                 -0.34870700   -0.78130500   -3.12387500
 C                  0.83564800    1.45768500   -4.25844700
 H                  0.98176600    2.20938100   -2.25019900
 C                 -0.15622400   -0.71074000   -4.50422900
 H                 -0.81561000   -1.66284100   -2.69593000
 C                  0.43204300    0.41139900   -5.09933500
 H                  1.30627500    2.33900500   -4.68917800
 H                 -0.47418400   -1.54301500   -5.12828300
 N                  5.10658200   -1.83542800    0.89315200
 C                  5.55877200   -1.47824800    2.24723000
 C                  5.46246600   -3.21649500    0.56991500
 C                  7.05597100   -1.73485400    2.38187500
 H                  5.01894800   -2.07583900    3.00293500
 H                  5.35600100   -0.42420400    2.44634800
 C                  6.96501400   -3.41770800    0.76160900
 H                  4.91564700   -3.93857700    1.20283700
 H                  5.21070500   -3.42043300   -0.47554100
 H                  7.38216100   -1.55256400    3.41007000
 H                  7.60808000   -1.05936800    1.70799400
 O                  7.37454100   -3.09108600    2.08554400
 H                  7.22922900   -4.46698300    0.60079300
 H                  7.51231700   -2.79798200    0.03270500
 N                 -4.91808900   -2.41060800    1.07507500
 C                 -5.80127700   -3.01209300    0.06360800
 C                 -4.88098800   -3.22065300    2.29212000
 C                 -7.18879400   -3.24598000    0.65245000
 H                 -5.38673400   -3.97506900   -0.28252900
 H                 -5.88739400   -2.35403300   -0.80270300
 C                 -6.30217000   -3.45195400    2.80346200
 H                 -4.39244400   -4.19568300    2.11674600
 H                 -4.31570100   -2.68992500    3.06422800
 H                 -7.82235400   -3.77180400   -0.06777700
 H                 -7.65449900   -2.27694700    0.89571700
 O                 -7.12433800   -4.06444900    1.81631100
 H                 -6.28715700   -4.12696700    3.66414400
 H                 -6.73921400   -2.48928600    3.11551000
 O                 -0.23032300    1.55326700   -0.31557400
 C                 -0.57136200    1.75067000    1.07489900
 H                 -1.64132300    1.55455400    1.20956700
 H                 -0.01619300    1.04285400    1.69906500
 C                 -0.21890200    3.17062800    1.42781600
 C                  0.92920400    3.46367200    2.17087900
 C                 -1.02070700    4.23165300    0.98431800
 C                  1.27002600    4.78530200    2.46531200
 H                  1.56333500    2.65257800    2.52162700
 C                 -0.67401000    5.54945400    1.27575700
 H                 -1.90619800    4.01747300    0.39179500
 C                  0.47473500    5.85000500    2.02391500
 H                  2.16701000    4.99129900    3.04502700
 H                 -1.30551900    6.36037500    0.91916900
 C                  0.82364700    7.27995200    2.36435900
 H                  0.57270000    7.95932500    1.54234100
 H                  0.26732400    7.62154800    3.24735000
 H                  1.89000200    7.39167700    2.58644200
 C                  0.60563500    0.50618900   -6.59678800
 H                 -0.21616600    1.07298200   -7.05439100
 H                  1.53712600    1.01950200   -6.86011100
 H                  0.61868300   -0.48445800   -7.06320300
 C                 -1.81197700    3.88359700   -2.55369300
 H                 -2.67132100    4.39896700   -2.99467000
 H                 -1.21955100    4.62218900   -1.99152000
 H                 -1.18869200    3.48614600   -3.36750900
 O                 -2.31577400    2.85396200   -1.71381000
 H                 -1.54614800    2.40632000   -1.30485300


