%nprocshared=4 %mem=4GB #p opt freq b3lyp/6-311++g(d,p) scrf=(solvent=Generic,read) empiricaldispersion=gd3 Title Card Required 0 1 C 2.53292900 0.08558600 2.57430200 H 3.34057300 0.44222700 3.20216200 C 2.45244100 -1.29898700 2.25869000 H 3.19702100 -1.98118800 2.65326800 C 1.44778200 -1.78228300 1.46160700 H 1.40463200 -2.83761500 1.23566800 C 0.40407100 -0.91856400 0.98762600 C 0.48950500 0.47691300 1.32680600 C 1.59973900 0.95064000 2.09352100 H 1.65061900 2.01115000 2.32738500 C -0.54927500 1.34148900 0.97278700 H -0.41532900 2.42061100 1.03664800 C -1.78023500 0.81187000 0.55452800 C -1.87850600 -0.58848800 0.22765000 C -0.71407600 -1.39825500 0.27289000 C -3.17486600 -1.11638300 -0.06481400 H -3.27925600 -2.16807300 -0.28675100 C -4.29363500 -0.32453900 0.00189300 H -5.26933700 -0.76042700 -0.16911000 C -4.18549700 1.06184100 0.29651300 H -5.08150900 1.66752800 0.34155300 C -2.95892700 1.61599400 0.53612500 H -2.86372600 2.66892400 0.76989300 C 0.17552700 1.27567700 -1.55071600 H -0.71018700 1.97796200 -1.56591900 C 0.09477300 0.01708700 -1.88830800 H -0.83568800 -0.45623500 -2.25291400 C 1.43913800 1.92228700 -1.14850100 C 2.63008300 1.03662500 -1.06236300 H 3.54925600 1.49364600 -0.71648800 C 2.55625600 -0.24113800 -1.44624300 H 3.41622000 -0.90526800 -1.43425000 C 1.29526400 -0.82081900 -1.97662500 O 1.55209400 3.14139600 -0.99004300 O 1.30325500 -1.91534800 -2.54551900 C -0.72022800 -2.77512400 -0.32768100 H 0.27376200 -3.06877700 -0.67419800 H -1.38816200 -2.83985900 -1.18503700 H -1.04846800 -3.51555900 0.42067000 solventname=benzoquinone eps=2.7 epsinf=2.129