%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                 -0.14056500    0.29819700   -0.90056100
 C                 -1.43978900   -0.35763900   -0.41475500
 C                 -2.62371400   -0.13910100   -1.13970000
 C                 -1.55420600   -1.02599000    0.80585700
 C                 -3.85156100   -0.59450400   -0.68381900
 H                 -2.57979200    0.41428600   -2.07272600
 C                 -2.78226000   -1.50439600    1.26940100
 H                 -0.67245800   -1.19269400    1.41547300
 C                 -3.96154000   -1.30203700    0.53289000
 H                 -4.74387800   -0.37575300   -1.26207500
 H                 -2.80322500   -2.04551500    2.20826900
 C                  1.14651300   -0.28238800   -0.28087800
 C                  2.20793800    0.56673800    0.06251000
 C                  1.35954000   -1.65870400   -0.15691700
 C                  3.41515300    0.06486100    0.53348600
 H                  2.08868100    1.63778200   -0.05900500
 C                  2.56352300   -2.17356800    0.32527300
 H                  0.56996100   -2.35368400   -0.42633600
 C                  3.62189500   -1.32028200    0.68444800
 H                  4.22131000    0.75668900    0.75823100
 H                  2.66148700   -3.24808500    0.42875100
 C                  0.01983400    0.18872400   -2.42785300
 C                  0.49058900    1.26724900   -3.18278800
 C                 -0.23032400   -1.02266000   -3.08631200
 C                  0.69724200    1.13635200   -4.55770500
 H                  0.69468000    2.21140000   -2.69197800
 C                 -0.02069400   -1.14822500   -4.45756200
 H                 -0.60076100   -1.87423800   -2.52324600
 C                  0.44530100   -0.06914800   -5.22194800
 H                  1.06313300    1.99117300   -5.12282800
 H                 -0.22450800   -2.10026300   -4.94329000
 N                  4.87114500   -1.79786100    1.14030600
 C                  5.37350800   -1.23138900    2.40126600
 C                  5.11317100   -3.23835400    1.08155300
 C                  6.84926700   -1.57497900    2.57496700
 H                  4.80417100   -1.63302800    3.25843500
 H                  5.25517800   -0.14602200    2.39989500
 C                  6.59924600   -3.51867300    1.30109100
 H                  4.52505200   -3.78403600    1.84173400
 H                  4.82623800   -3.61417900    0.09436700
 H                  7.20889700   -1.23018300    3.54902100
 H                  7.43749400   -1.08254400    1.78314200
 O                  7.05844100   -2.98305700    2.53724400
 H                  6.77884700   -4.59712000    1.34035700
 H                  7.17812400   -3.09253500    0.46536000
 N                 -5.22762800   -1.73128300    0.98183700
 C                 -6.04768400   -2.49670600    0.02993500
 C                 -5.32089200   -2.29579000    2.32734900
 C                 -7.48732900   -2.57679600    0.52725300
 H                 -5.64691500   -3.51898800   -0.08639300
 H                 -6.03326400   -2.01784900   -0.95086900
 C                 -6.78724300   -2.38908400    2.74773400
 H                 -4.86089500   -3.29892800    2.38106700
 H                 -4.79648600   -1.64226600    3.03141100
 H                 -8.08215100   -3.21532800   -0.13251100
 H                 -7.92987900   -1.56710400    0.53974100
 O                 -7.55238700   -3.15679800    1.82585500
 H                 -6.87027900   -2.88815800    3.71763600
 H                 -7.20704800   -1.37343700    2.83433300
 O                 -0.21599600    1.71443300   -0.63266000
 C                 -0.53333100    2.09323500    0.71292700
 H                 -1.61322100    1.98242700    0.87880800
 H                 -0.01865400    1.44463400    1.43237400
 C                 -0.09812800    3.52391500    0.88842200
 C                  1.02414300    3.85110900    1.65499700
 C                 -0.79178000    4.55664700    0.24413600
 C                  1.43836000    5.17869000    1.78345600
 H                  1.58253700    3.06055100    2.15133000
 C                 -0.37434200    5.87949500    0.36890100
 H                 -1.65988800    4.31559200   -0.36465300
 C                  0.74637100    6.21448800    1.14486800
 H                  2.31334000    5.41193000    2.38614800
 H                 -0.92460900    6.66752500   -0.14086300
 C                  1.17296100    7.65527300    1.30318100
 H                  1.05400900    8.21277800    0.36739000
 H                  0.56573700    8.16580600    2.06248300
 H                  2.21976800    7.73246000    1.61482900
 C                  0.64056700   -0.20106200   -6.71430500
 H                 -0.30798000   -0.06923700   -7.25208300
 H                  1.33912500    0.55125100   -7.09542800
 H                  1.02737700   -1.19087800   -6.98180400

solventname=PMMA
eps=3.9
epsinf=2.222

