%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                 -0.07626200    0.17398800   -0.76119700
 C                 -1.30830300   -0.61669700   -0.31007300
 C                 -2.55346200   -0.33017900   -0.89960100
 C                 -1.29989800   -1.50186100    0.76948900
 C                 -3.72202700   -0.92343300   -0.44733900
 H                 -2.61242700    0.39921300   -1.70089900
 C                 -2.46840600   -2.11933100    1.22150200
 H                 -0.36789100   -1.73173000    1.27427200
 C                 -3.70940000   -1.84624000    0.62134100
 H                 -4.66446400   -0.64272400   -0.90662600
 H                 -2.39436400   -2.82273100    2.04263400
 C                  1.26724200   -0.38028100   -0.25561300
 C                  2.25663000    0.47183000    0.25241700
 C                  1.59531000   -1.73150200   -0.40497800
 C                  3.50336500   -0.01269700    0.63191700
 H                  2.05633400    1.53433600    0.33056000
 C                  2.83852900   -2.23028200   -0.01748200
 H                  0.86483800   -2.41831200   -0.82248600
 C                  3.82285100   -1.37930500    0.51790400
 H                  4.25178500    0.68595300    0.99354300
 H                  3.02665300   -3.29206200   -0.12743200
 C                  0.04242300    0.27209100   -2.29141500
 C                  0.65556900    1.38672600   -2.87822400
 C                 -0.35539300   -0.77921200   -3.12394200
 C                  0.83849200    1.45468700   -4.25807800
 H                  0.98985700    2.20434700   -2.24929800
 C                 -0.16390300   -0.70863000   -4.50434500
 H                 -0.82632600   -1.65857600   -2.69593600
 C                  0.42908300    0.41094200   -5.09914500
 H                  1.31307200    2.33393800   -4.68880500
 H                 -0.48655600   -1.53887800   -5.12874700
 N                  5.10636200   -1.83297800    0.89508400
 C                  5.55349600   -1.48279600    2.25230600
 C                  5.46670400   -3.21082500    0.56469000
 C                  7.05128600   -1.73561900    2.38909500
 H                  5.01380500   -2.08663700    3.00329200
 H                  5.34613900   -0.43058900    2.45691700
 C                  6.96949400   -3.40870000    0.75892400
 H                  4.92084600   -3.93846700    1.19229300
 H                  5.21738800   -3.40890200   -0.48255200
 H                  7.37480600   -1.55900700    3.41919200
 H                  7.60264600   -1.05397100    1.72066100
 O                  7.37458400   -3.08852200    2.08531000
 H                  7.23765200   -4.45625800    0.59315900
 H                  7.51640300   -2.78318000    0.03457300
 N                 -4.91747600   -2.41062100    1.07607200
 C                 -5.79835400   -3.01445200    0.06441600
 C                 -4.88096700   -3.21890800    2.29384500
 C                 -7.18665300   -3.24802300    0.65186700
 H                 -5.38301400   -3.97805600   -0.27940300
 H                 -5.88258900   -2.35780600   -0.80328400
 C                 -6.30278400   -3.44986600    2.80397400
 H                 -4.39243100   -4.19448600    2.12045200
 H                 -4.31586400   -2.68670300    3.06521900
 H                 -7.81926900   -3.77589100   -0.06778400
 H                 -7.65304800   -2.27854200    0.89239500
 O                 -7.12319100   -4.06393600    1.81702400
 H                 -6.28910300   -4.12380600    3.66560400
 H                 -6.74009600   -2.48661100    3.11412100
 O                 -0.23006500    1.55363500   -0.31633300
 C                 -0.57365500    1.75209000    1.07314700
 H                 -1.64438500    1.55855400    1.20544500
 H                 -0.02155900    1.04296000    1.69870700
 C                 -0.21845100    3.17120500    1.42682600
 C                  0.92615100    3.46095300    2.17632600
 C                 -1.01448800    4.23438100    0.97818400
 C                  1.26933800    4.78151500    2.47238400
 H                  1.55570900    2.64783200    2.53076700
 C                 -0.66526300    5.55100300    1.27137900
 H                 -1.89720100    4.02249000    0.38066700
 C                  0.47988700    5.84830100    2.02609600
 H                  2.16356700    4.98509400    3.05728100
 H                 -1.29225100    6.36379400    0.91097200
 C                  0.83095600    7.27729600    2.36837400
 H                  0.58713400    7.95734000    1.54471900
 H                  0.27061200    7.62094900    3.24804600
 H                  1.89638400    7.38614000    2.59650200
 C                  0.60150800    0.50606700   -6.59670700
 H                 -0.21784900    1.07732200   -7.05319200
 H                  1.53547600    1.01456500   -6.86077000
 H                  0.60924200   -0.48424600   -7.06405600
 C                 -1.81733900    3.87528400   -2.56469800
 H                 -2.67882100    4.38831900   -3.00430000
 H                 -1.21913100    4.61822400   -2.01403000
 H                 -1.20080000    3.46888400   -3.37932600
 O                 -2.31727200    2.85540600   -1.71170000
 H                 -1.54583200    2.40784800   -1.30649800

solventname=PMMA
eps=3.9
epsinf=2.222

