%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                 -0.13846300    0.29771700   -0.89962100
 C                 -1.43802600   -0.35777200   -0.41452100
 C                 -2.62196500   -0.13767200   -1.13902000
 C                 -1.55302800   -1.02757500    0.80531800
 C                 -3.85027900   -0.59265300   -0.68378000
 H                 -2.57815300    0.41647100   -2.07164400
 C                 -2.78138100   -1.50563500    1.26839400
 H                 -0.67161800   -1.19576600    1.41497900
 C                 -3.96099000   -1.30141600    0.53241200
 H                 -4.74189200   -0.37272100   -1.26255200
 H                 -2.80229600   -2.04780000    2.20658900
 C                  1.14833600   -0.28341500   -0.27983400
 C                  2.20999500    0.56506700    0.06449700
 C                  1.36128300   -1.65995900   -0.15693800
 C                  3.41711500    0.06278400    0.53552900
 H                  2.09117100    1.63628300   -0.05567600
 C                  2.56513700   -2.17546400    0.32502200
 H                  0.57180600   -2.35484400   -0.42686700
 C                  3.62383800   -1.32269400    0.68540600
 H                  4.22259200    0.75484200    0.76177200
 H                  2.66254400   -3.25008200    0.42750700
 C                  0.02271000    0.18825500   -2.42694600
 C                  0.49596700    1.26584400   -3.18182400
 C                 -0.22871900   -1.02287200   -3.08567700
 C                  0.70353900    1.13462800   -4.55671600
 H                  0.70152400    2.20983500   -2.69126300
 C                 -0.01811200   -1.14892400   -4.45682100
 H                 -0.60080600   -1.87395000   -2.52297100
 C                  0.45015700   -0.07058900   -5.22112800
 H                  1.07120300    1.98885700   -5.12154300
 H                 -0.22304200   -2.10069400   -4.94252900
 N                  4.87269200   -1.80110300    1.14056100
 C                  5.37898200   -1.23105200    2.39868700
 C                  5.11172600   -3.24258300    1.08645900
 C                  6.85413000   -1.57735400    2.57107200
 H                  4.81009600   -1.62833800    3.25804700
 H                  5.26379800   -0.14545300    2.39395200
 C                  6.59740000   -3.52549800    1.30464600
 H                  4.52317900   -3.78404000    1.84913700
 H                  4.82308600   -3.62164000    0.10108200
 H                  7.21597900   -1.22929500    3.54308400
 H                  7.44229600   -1.08963200    1.77639900
 O                  7.06004400   -2.98645200    2.53844400
 H                  6.77424100   -4.60422800    1.34709700
 H                  7.17615900   -3.10360400    0.46676400
 N                 -5.22689100   -1.72944500    0.98193300
 C                 -6.05353700   -2.48453700    0.02714200
 C                 -5.31817200   -2.30313800    2.32402100
 C                 -7.49163800   -2.56307300    0.52877400
 H                 -5.65678200   -3.50720200   -0.09834200
 H                 -6.04169100   -1.99845100   -0.95002400
 C                 -6.78331200   -2.39480300    2.74856400
 H                 -4.86066200   -3.30770200    2.36898400
 H                 -4.79022000   -1.65635800    3.03151700
 H                 -8.09084600   -3.19402800   -0.13422200
 H                 -7.93043600   -1.55199800    0.55085200
 O                 -7.55453100   -3.15311800    1.82338500
 H                 -6.86424000   -2.90074600    3.71502400
 H                 -7.19975400   -1.37866600    2.84428400
 O                 -0.21356200    1.71428500   -0.63161100
 C                 -0.53268200    2.09286200    0.71407300
 H                 -1.61231500    1.97960000    0.87937200
 H                 -0.01664900    1.44561500    1.43367500
 C                 -0.10126400    3.52473800    0.88907300
 C                  1.02993300    3.85363700    1.64197400
 C                 -0.80715000    4.55710400    0.25743500
 C                  1.44125600    5.18230500    1.76890000
 H                  1.59723400    3.06377500    2.12914800
 C                 -0.39274100    5.88120900    0.38073300
 H                 -1.68313200    4.31532600   -0.33980400
 C                  0.73724900    6.21773000    1.14260100
 H                  2.32315600    5.41675400    2.36088000
 H                 -0.95272900    6.66884300   -0.11889300
 C                  1.16104400    7.65948300    1.29954100
 H                  1.03051200    8.21855500    0.36625200
 H                  0.55992900    8.16638400    2.06606500
 H                  2.21069300    7.73913800    1.60069500
 C                  0.64638600   -0.20310600   -6.71330100
 H                 -0.30214200   -0.07266600   -7.25138100
 H                  1.34421000    0.54982000   -7.09446700
 H                  1.03409300   -1.19277200   -6.97995900


