%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                 -0.52949000   -0.38909000   -1.08428000
 C                 -1.93731500   -0.52336100   -0.52708800
 C                 -2.99281500    0.10776200   -1.20736500
 C                 -2.22234800   -1.15766700    0.68484100
 C                 -4.28567900    0.08790800   -0.70328700
 H                 -2.78675100    0.64926200   -2.12709100
 C                 -3.51839700   -1.19045300    1.20678900
 H                 -1.42383700   -1.64494600    1.23593500
 C                 -4.56009700   -0.56783500    0.50784200
 H                 -5.10260900    0.57359300   -1.22805800
 H                 -3.69881500   -1.69735800    2.14745300
 C                  0.44674800   -1.50793300   -0.74477000
 C                  1.79868500   -1.23998500   -0.50150300
 C                  0.05446700   -2.85243900   -0.76183700
 C                  2.71650100   -2.25772900   -0.25803300
 H                  2.14253400   -0.21044400   -0.49920000
 C                  0.95884000   -3.88428200   -0.53019500
 H                 -0.98443000   -3.10636500   -0.95397500
 C                  2.32469500   -3.61664400   -0.27400800
 H                  3.74570000   -1.98439600   -0.05894200
 H                  0.59185300   -4.90336800   -0.54682300
 N                  3.23896400   -4.64014800   -0.06091700
 C                  4.56307400   -4.30784600    0.44350000
 C                  2.74634400   -5.99176300    0.16058200
 H                  4.53030500   -3.79477700    1.41802700
 H                  5.10063200   -3.66315400   -0.26133800
 H                  2.08240800   -6.06443900    1.03687200
 H                  2.19523300   -6.35655100   -0.71385300
 C                 -6.20117500   -1.18299500    2.13816200
 H                 -5.98008000   -2.25741200    2.10152100
 H                 -5.67232900   -0.73335600    2.98828200
 O                  0.03563100    0.91000500   -0.75958900
 C                  0.03963600    1.26788500    0.63844400
 H                 -0.98342300    1.50860000    0.95273000
 H                  0.38631700    0.41812900    1.23738800
 C                  0.95622500    2.45009800    0.79925900
 C                  2.21860600    2.31039100    1.38337300
 C                  0.56932800    3.71322000    0.32907500
 C                  3.07394600    3.40788400    1.50300800
 H                  2.53755100    1.33538200    1.74508800
 C                  1.42840100    4.80393100    0.44338000
 H                 -0.39830200    3.83103000   -0.15218300
 C                  2.69311600    4.67238400    1.03796300
 H                  4.05168000    3.27859000    1.96170900
 H                  1.11390000    5.77521300    0.06772800
 C                  3.60282700    5.86866600    1.19148600
 H                  3.53816700    6.53463800    0.32386900
 H                  3.32870500    6.46138200    2.07434800
 H                  4.64809900    5.56589500    1.31220000
 C                 -0.37243100    3.32060500   -3.14010200
 H                 -0.85674000    4.06740300   -3.77760700
 H                  0.45058300    3.81108500   -2.59821800
 H                  0.06053400    2.54419700   -3.79014400
 O                 -1.35852500    2.80091200   -2.25882100
 H                 -0.90300300    2.14010400   -1.69534800
 H                 -0.61051600   -0.32467100   -2.17670000
 H                  5.14389400   -5.22481300    0.55705900
 H                  3.59444600   -6.66092800    0.31563100
 H                 -7.27549000   -1.03876000    2.26337300
 O                 -5.86150300   -0.53939800    0.91336200


