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

Single point

0 1
 C                 -1.19275600    0.04016800    0.46816400
 C                 -0.42035200    1.34368500    0.33452700
 C                 -0.03617800    2.01907200    1.50010100
 C                  0.70302600    3.19638400    1.46757000
 C                  1.10515300    3.77034400    0.23850800
 C                  0.69647300    3.10241500   -0.94002300
 C                 -0.03657900    1.92099100   -0.88490300
 H                 -0.32235300    1.46131900   -1.82522600
 H                  0.94894700    3.50218900   -1.91450500
 H                  0.96075000    3.66914700    2.40740700
 H                 -0.32131400    1.61430200    2.46899100
 C                 -2.52444100    0.00113100   -0.41557600
 C                 -2.23401700   -0.21367800   -1.84755700
 N                 -2.01484300   -0.35479800   -2.97807700
 C                 -0.35660200   -1.22086200    0.29395000
 C                  0.60609900   -1.36620700   -0.71314200
 C                  1.33508000   -2.54015000   -0.86457400
 C                  1.13117200   -3.64703400   -0.00563800
 C                  0.17636600   -3.48915500    1.02629900
 C                 -0.54352100   -2.30700700    1.15894200
 H                 -1.27265700   -2.23165000    1.96232600
 H                 -0.00899400   -4.28780700    1.73398900
 H                  2.07148600   -2.58856900   -1.65743400
 H                  0.81030900   -0.54395500   -1.39066700
 N                  1.86474500    4.92793900    0.19118000
 C                  2.06070700    5.59861400   -1.08537500
 C                  2.06774400    5.69437400    1.41120400
 H                  1.11257600    5.91646900   -1.54696300
 H                  2.58278600    4.94646800   -1.79532600
 H                  1.12212100    6.04726800    1.85217500
 H                  2.59312800    5.09776600    2.16625800
 N                  1.83344600   -4.83006400   -0.16864200
 C                  2.95124800   -4.87266000   -1.09877300
 C                  1.75359100   -5.85261600    0.86310300
 H                  3.74866700   -4.15973400   -0.83594400
 H                  2.62032200   -4.65091000   -2.12018800
 H                  2.11219800   -5.49577500    1.84156700
 H                  0.72298800   -6.20565100    0.98727000
 H                  2.68850700    6.56399900    1.18939400
 H                  2.68193300    6.48279500   -0.93359600
 H                 -1.59072200    0.02150000    1.48934700
 H                  2.36099000   -6.70940700    0.56673100
 H                  3.37673400   -5.87753500   -1.10174400
 C                 -3.34066700   -1.14555000    0.03598900
 N                 -4.00012400   -2.01370900    0.43253400
 C                 -3.36340700    1.29685600   -0.24251400
 H                 -3.55698100    1.45415200    0.82206300
 H                 -2.80264900    2.14911700   -0.62864100
 H                 -4.31548700    1.21675700   -0.77254000

solventname=PMMA
eps=3.9
epsinf=2.222

