%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                 -1.06067100    0.02976500   -0.39766100
 C                 -0.24682900    1.33877400   -0.28338500
 C                 -0.13478000    2.03070000    0.92655300
 C                  0.64969000    3.17902800    1.05115600
 C                  1.37835100    3.68119800   -0.04013900
 C                  1.29051900    2.96829500   -1.25319300
 C                  0.50288600    1.83069900   -1.36563600
 H                  0.50679000    1.30581900   -2.31540600
 H                  1.87303500    3.28898600   -2.11099100
 H                  0.66976200    3.68534300    2.00916600
 H                 -0.67525200    1.68093600    1.79908100
 C                 -2.15375200   -0.01598900    0.69542000
 C                 -2.26188900   -1.06144400    1.61545200
 C                 -3.28823700   -1.08086700    2.56413200
 C                 -4.24085000   -0.06065900    2.62890900
 C                 -4.12595300    0.99535100    1.71177500
 C                 -3.10092400    1.02118100    0.77189000
 H                 -3.03417000    1.86009900    0.08630800
 H                 -4.84640600    1.80996000    1.73824900
 H                 -3.34673600   -1.91253100    3.26245800
 H                 -1.54879300   -1.87663000    1.59307500
 C                 -1.83976600    0.07228700   -1.81546400
 H                 -2.01469900    1.12627900   -2.04297300
 C                 -1.07914900   -0.47808700   -2.93970600
 N                 -0.49761000   -0.88664500   -3.85761700
 C                 -3.22741500   -0.59673900   -1.79081700
 O                 -3.44468600   -1.77939000   -1.64693500
 O                 -4.17919900    0.33104600   -1.95501700
 C                 -5.53746700   -0.14102900   -1.81732900
 H                 -5.74031000   -0.93530600   -2.53895000
 H                 -6.16553100    0.72809400   -2.00885200
 H                 -5.69160600   -0.51463400   -0.80170500
 C                 -0.10875400   -1.18117100   -0.30543500
 C                  1.15519900   -1.06720300    0.29403800
 C                  2.00134300   -2.16162700    0.43081300
 C                  1.62301100   -3.44119700   -0.01860400
 C                  0.35307200   -3.56093800   -0.61055900
 C                 -0.48518900   -2.45579800   -0.74918100
 H                 -1.46372900   -2.60739300   -1.18938300
 H                 -0.00659200   -4.52248900   -0.95798800
 H                  2.98432300   -2.01011300    0.86567400
 H                  1.50231100   -0.10421200    0.65007500
 N                  2.20712100    4.81832600    0.04837200
 C                  2.01603800    5.85839900   -0.97484500
 C                  2.41295700    5.41158400    1.36914400
 C                  3.18719500    6.83532700   -0.95273000
 H                  1.07876000    6.41170400   -0.78871700
 H                  1.94600800    5.40460000   -1.96521600
 C                  3.57047500    6.40774800    1.31166600
 H                  1.50539000    5.92810600    1.73015700
 H                  2.66429800    4.62305700    2.08536500
 H                  3.00804000    7.65845200   -1.65066000
 H                  4.11062700    6.31138600   -1.24957700
 O                  3.34659900    7.41884100    0.33612200
 H                  3.67724800    6.91722400    2.27381200
 H                  4.50580400    5.86791600    1.09046800
 N                  2.51684200   -4.52577200    0.09826100
 C                  3.11719900   -4.75495900    1.42102100
 C                  2.14700700   -5.78879400   -0.53854500
 C                  4.29822500   -5.71300200    1.30020800
 H                  2.37075300   -5.18442500    2.11242400
 H                  3.46366400   -3.81145400    1.84685200
 C                  3.36136700   -6.71477100   -0.59067800
 H                  1.32662700   -6.29400800    0.00243300
 H                  1.81116700   -5.59319800   -1.56147400
 H                  4.69401400   -5.95502300    2.29107400
 H                  5.09608300   -5.24063000    0.70367900
 O                  3.90442600   -6.94448600    0.70485500
 H                  3.07385400   -7.69230600   -0.98876800
 H                  4.12771800   -6.27471200   -1.24962800
 C                 -5.34282500   -0.07184600    3.66136400
 H                 -5.45774500   -1.06119900    4.11539100
 H                 -5.13392500    0.64114700    4.46969600
 H                 -6.30483300    0.21482100    3.22125800

solventname=PMMA
eps=3.9
epsinf=2.222

