%nprocshared=8
%mem=22GB
#p b3lyp 6-311+G(d,p) empiricaldispersion=gd3 scrf=(pcm,solvent=methylbutanoate) nosymm scf=maxcyc=512

Single point

0 1
 C                 -0.33140700    0.01444300   -0.34316000
 C                  0.25399200    1.44261200   -0.20510900
 C                  0.06251500    2.19053300    0.96659100
 C                  0.63121500    3.45227600    1.11868400
 C                  1.40284000    3.97040100    0.08246000
 C                  1.62872100    3.25093100   -1.08927200
 C                  1.05851500    1.98947400   -1.21966000
 H                  1.26631700    1.42841600   -2.12331400
 H                  2.24378800    3.67086600   -1.87500800
 H                  0.48162300    4.02765200    2.02351700
 H                 -0.53320400    1.78725800    1.77566000
 C                 -1.51343000   -0.18311500    0.63266600
 C                 -1.52612900   -1.17119300    1.62008300
 C                 -2.63175300   -1.32972800    2.45967100
 C                 -3.75828700   -0.51059300    2.34449300
 C                 -3.73911300    0.48860200    1.35947400
 C                 -2.63786000    0.65509300    0.52657700
 H                 -2.65518500    1.44707800   -0.21559300
 H                 -4.59621800    1.14803800    1.24666500
 H                 -2.61287900   -2.11184500    3.21448900
 H                 -0.67865800   -1.83487600    1.74204200
 C                 -0.93328600   -0.11392000   -1.83489300
 H                 -1.25881600    0.88603200   -2.13062700
 C                  0.03420500   -0.55505200   -2.84244300
 N                  0.78892600   -0.88974600   -3.65818000
 C                 -2.18336900   -1.01620400   -1.93006900
 O                 -2.20874900   -2.20813800   -1.71741700
 O                 -3.23907400   -0.28410400   -2.29124400
 C                 -4.50587200   -0.98372700   -2.31996100
 H                 -4.45411600   -1.83145700   -3.00608400
 H                 -5.23190700   -0.24808000   -2.66236000
 H                 -4.75001200   -1.33289000   -1.31368000
 C                  0.78981300   -1.01606100   -0.07839300
 C                  1.92220500   -0.66310500    0.67206600
 C                  2.91893000   -1.59204800    0.95737200
 C                  2.77787500   -2.89336700    0.48463200
 C                  1.66220800   -3.28354400   -0.25305300
 C                  0.67392900   -2.34408700   -0.52478200
 H                 -0.20486400   -2.65736500   -1.07434500
 H                  1.57228300   -4.30431200   -0.60242900
 H                  3.79198100   -1.31496000    1.53446400
 H                  2.04219100    0.34603900    1.04484300
 C                 -4.94673800   -0.66894900    3.26167400
 H                 -4.95105100   -1.64947800    3.74760600
 H                 -4.93546600    0.09260600    4.05221300
 H                 -5.88946600   -0.55265200    2.71568000
 N                  2.00088000    5.30279300    0.23199600
 O                  2.68002500    5.73962800   -0.69883700
 O                  1.79276500    5.91555100    1.28084700
 N                  3.82511300   -3.87912600    0.77734100
 O                  3.67492800   -5.02668500    0.35348200
 O                  4.80115000   -3.51001200    1.43372600


