%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                 -0.32478500   -0.39488500   -0.27308600
 C                 -1.70023800   -0.25964800    0.40114700
 C                 -2.65228800    0.57709200   -0.20789200
 C                 -1.99287500   -0.82087600    1.65026400
 C                 -3.87773700    0.82257900    0.39880800
 H                 -2.42197300    1.06050500   -1.15084800
 C                 -3.21941000   -0.58948200    2.27012100
 H                 -1.26477300   -1.44218300    2.15790800
 C                 -4.14837700    0.22541800    1.63041600
 H                 -4.61430500    1.46665800   -0.06457900
 H                 -3.45293000   -1.02515300    3.23334200
 C                  0.56950600   -1.51108900    0.29770900
 C                  1.91860000   -1.26369800    0.58276200
 C                  0.07699200   -2.81998500    0.42839900
 C                  2.75362200   -2.28612700    1.02494300
 H                  2.32216900   -0.26819400    0.44634000
 C                  0.89588400   -3.85226300    0.86811200
 H                 -0.95620700   -3.03632200    0.17869800
 C                  2.22881100   -3.56828600    1.16837300
 H                  3.79568800   -2.09987100    1.25274200
 H                  0.52023800   -4.86186500    0.97599800
 C                 -0.43131500   -0.67669400   -1.78162500
 C                  0.57498000   -0.22394900   -2.64375900
 C                 -1.46171700   -1.46155000   -2.31012100
 C                  0.53047600   -0.52560400   -4.00344900
 H                  1.39319000    0.36867700   -2.24971000
 C                 -1.49572100   -1.76535000   -3.67084400
 H                 -2.25155000   -1.83359100   -1.66469100
 C                 -0.50634400   -1.29790200   -4.54447800
 H                  1.31985300   -0.15749800   -4.65469900
 H                 -2.30989600   -2.37283900   -4.05857900
 O                  0.34978800    0.87850900   -0.16953200
 C                  0.39602500    1.50674700    1.13871500
 H                 -0.56965500    1.98737600    1.33039100
 H                  0.55968800    0.74792900    1.91106900
 C                  1.51873900    2.50647200    1.11486900
 C                  2.72669600    2.24844000    1.77011600
 C                  1.38139000    3.70497400    0.39975100
 C                  3.77696200    3.16671900    1.71286100
 H                  2.84893200    1.32566600    2.33290100
 C                  2.43423900    4.61454100    0.34059000
 H                  0.45059000    3.91067500   -0.12205400
 C                  3.64908000    4.36354300    0.99786800
 H                  4.70805200    2.94910600    2.23079400
 H                  2.31301100    5.53772400   -0.22179400
 C                  4.77243300    5.37212500    0.95265600
 H                  4.86739600    5.81944400   -0.04305600
 H                  4.59209400    6.19290900    1.65919200
 H                  5.73266500    4.91695600    1.21557600
 C                 -0.56639100   -1.59288000   -6.02389500
 H                 -1.07494000   -0.78340300   -6.56400400
 H                  0.43633700   -1.68974600   -6.45373100
 H                 -1.11676300   -2.51730500   -6.22695500
 C                 -0.15800800    3.22586200   -2.94376900
 H                 -0.72471200    4.01252500   -3.45094000
 H                  0.82161600    3.63731200   -2.65527100
 H                  0.00561000    2.40103900   -3.65177700
 O                 -0.91680000    2.81703000   -1.81249900
 H                 -0.40679300    2.12354000   -1.34943200
 N                  3.10071900   -4.64981300    1.63853700
 O                  4.27572900   -4.37730500    1.89359900
 O                  2.61376200   -5.77630000    1.75615900
 N                 -5.44472600    0.47342000    2.27632800
 O                 -5.66008400   -0.06192100    3.36532600
 O                 -6.24914700    1.20352300    1.69516000

solventname=PMMA
eps=3.9
epsinf=2.222

