%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                 -0.32638600   -0.39574900   -0.27302600
 C                 -1.70177800   -0.26024900    0.40117400
 C                 -2.65478400    0.57413600   -0.20957900
 C                 -1.99309200   -0.81822800    1.65202000
 C                 -3.88002200    0.82048600    0.39690600
 H                 -2.42562300    1.05426500   -1.15444000
 C                 -3.21931400   -0.58590500    2.27201200
 H                 -1.26449100   -1.43760500    2.16118100
 C                 -4.14931100    0.22659800    1.63054600
 H                 -4.61724400    1.46239800   -0.06836800
 H                 -3.45114900   -1.01930800    3.23660700
 C                  0.56790800   -1.51201700    0.29744300
 C                  1.91810100   -1.26548500    0.57825300
 C                  0.07415100   -2.82014000    0.43152500
 C                  2.75336800   -2.28793200    1.01952300
 H                  2.32242300   -0.27062100    0.43973100
 C                  0.89326000   -3.85254800    0.87035400
 H                 -0.96001500   -3.03613800    0.18575100
 C                  2.22749500   -3.56947000    1.16622500
 H                  3.79606400   -2.10160300    1.24413400
 H                  0.51614100   -4.86127400    0.98083300
 C                 -0.43249700   -0.67776600   -1.78158400
 C                  0.57304600   -0.22358900   -2.64389700
 C                 -1.46172300   -1.46454300   -2.30978500
 C                  0.52892000   -0.52548400   -4.00363800
 H                  1.39049500    0.37032300   -2.25025200
 C                 -1.49537900   -1.76855800   -3.67053400
 H                 -2.25064800   -1.83830000   -1.66426600
 C                 -0.50682900   -1.29950500   -4.54444500
 H                  1.31760000   -0.15607500   -4.65495000
 H                 -2.30850000   -2.37761000   -4.05796800
 O                  0.34744600    0.87812700   -0.16919200
 C                  0.39636800    1.50379400    1.14049100
 H                 -0.56948700    1.98248600    1.33595900
 H                  0.56345900    0.74372000    1.91070700
 C                  1.51742600    2.50537700    1.11550300
 C                  2.72853000    2.24700700    1.76495100
 C                  1.37546800    3.70618400    0.40509200
 C                  3.77716000    3.16721400    1.70642800
 H                  2.85464200    1.32254100    2.32398900
 C                  2.42663100    4.61773800    0.34446200
 H                  0.44236500    3.91228100   -0.11234400
 C                  3.64460900    4.36633900    0.99594700
 H                  4.71072900    2.94913400    2.21964300
 H                  2.30169200    5.54248400   -0.21449300
 C                  4.76637900    5.37662900    0.94924600
 H                  4.85706700    5.82648400   -0.04570600
 H                  4.58716600    6.19549200    1.65828600
 H                  5.72805500    4.92213300    1.20791400
 C                 -0.56667700   -1.59477200   -6.02381800
 H                 -1.07789900   -0.78675500   -6.56358100
 H                  0.43615400   -1.68841800   -6.45407500
 H                 -1.11457900   -2.52074300   -6.22644800
 C                 -0.13778200    3.22852600   -2.93679800
 H                 -0.69621300    4.01733800   -3.44980900
 H                  0.83765900    3.63798300   -2.63234100
 H                  0.03561500    2.40586700   -3.64489500
 O                 -0.91367600    2.81637400   -1.81786000
 H                 -0.40911200    2.12320000   -1.34812400
 N                  3.09923300   -4.65070600    1.63500500
 O                  4.27581700   -4.38010700    1.88616400
 O                  2.61227200   -5.77712600    1.75617000
 N                 -5.44473400    0.47563700    2.27623900
 O                 -5.66024700   -0.05645400    3.36705000
 O                 -6.25061400    1.20395200    1.69422200


