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

Single point

0 2
 C                 -0.09119800   -0.01654200    1.24062400
 C                 -0.01970500   -1.28600600    0.52559500
 C                  0.70626400   -1.42329400   -0.68535500
 C                 -0.66877300   -2.45220200    0.99234700
 C                  0.77770200   -2.62498900   -1.36843000
 H                  1.25230500   -0.56838100   -1.07193100
 C                 -0.61313600   -3.65883800    0.30403000
 H                 -1.26011700   -2.39872700    1.90122600
 C                  0.11371600   -3.78018300   -0.89739800
 H                  1.38944900   -2.68388100   -2.26338500
 H                 -1.16867300   -4.50262000    0.69721000
 C                 -0.19470700    0.00077200    2.70018800
 C                 -0.93537500    0.99786100    3.37953300
 C                  0.43506900   -0.97898600    3.50496400
 C                 -1.03849900    1.00883000    4.76605900
 H                 -1.45292100    1.75650600    2.80061800
 C                  0.32911300   -0.95872600    4.89113400
 H                  1.02621500   -1.75400800    3.02689700
 C                 -0.40758700    0.03466500    5.55463300
 H                 -1.63094600    1.78340800    5.24885000
 H                  0.83533300   -1.72550900    5.47413000
 C                 -0.06535600    1.24212300    0.49886900
 C                  0.54170100    2.40732400    1.01892800
 C                 -0.64863700    1.36718500   -0.78716600
 C                  0.56464200    3.60815000    0.31807600
 H                  1.01195100    2.36565900    1.99661100
 C                 -0.62483400    2.55788700   -1.49331000
 H                 -1.13655600    0.50483100   -1.23073900
 C                 -0.01721200    3.71705200   -0.96097300
 H                 -1.06981100    2.58923000   -2.48300800
 C                 -0.31849900   -6.20339800   -0.98552900
 C                 -0.03241200   -4.96720200   -3.04595300
 C                  0.21506100   -7.43798400   -1.71144400
 H                 -1.42255900   -6.21015600   -1.01750800
 H                 -0.00712900   -6.25235800    0.06225200
 C                  0.49409000   -6.24123800   -3.69863200
 H                 -1.11690100   -4.88375100   -3.23543700
 H                  0.45397800   -4.10327600   -3.50205700
 H                 -0.25665300   -8.34137100   -1.31394900
 H                  1.30425500   -7.50960300   -1.55765100
 H                  0.22327900   -6.26439600   -4.75825700
 H                  1.59252800   -6.27432700   -3.61108800
 N                  0.23041200   -4.99482000   -1.59880200
 O                 -0.08022500   -7.40034600   -3.10325700
 N                  0.02500100    4.90242100   -1.71987000
 C                 -1.23892200    5.37266800   -2.30783000
 C                  0.81885600    6.02059800   -1.21177100
 C                 -0.95903400    6.42116100   -3.37939400
 H                 -1.88221200    5.81410000   -1.52668100
 H                 -1.78160700    4.53856600   -2.75598900
 C                  1.02615700    7.05147200   -2.32054900
 H                  0.33126800    6.50640600   -0.34778200
 H                  1.79775200    5.65352900   -0.88884700
 H                 -1.89743300    6.83660900   -3.75821100
 H                 -0.41172000    5.95653600   -4.21602400
 O                 -0.21188900    7.51199200   -2.85063200
 H                  1.54585300    7.92940700   -1.92588300
 H                  1.63884400    6.60733500   -3.12216900
 H                  1.03679400    4.46684400    0.78163000
 C                 -0.49322200    0.07014300    7.06130500
 H                  0.34361200    0.63613800    7.49329100
 H                 -1.41761900    0.55098400    7.39935600
 H                 -0.45612300   -0.93754800    7.48959700


