%nprocshared=4 %mem=4GB #p opt freq b3lyp/6-311++g(d,p) scrf=(solvent=Generic,read) empiricaldispersion=gd3 Title Card Required 0 1 H 4.60991600 -1.24783900 0.00000000 C 3.66393000 -0.71429000 0.00000000 H 2.47944200 -2.49646100 0.00000000 C 2.48092100 -1.40948400 0.00000000 C 2.48099300 1.40932400 0.00000000 C 1.22425000 -0.72322600 0.00000000 C 3.66396800 0.71405300 0.00000000 C 0.00000000 -1.40625700 0.00000000 H 4.60998000 1.24754900 0.00000000 H 0.00002100 2.49398400 0.00000000 H 2.47960400 2.49629900 0.00000000 C -1.22438200 -0.72309000 0.00000000 C -2.48094300 -1.40930100 0.00000000 C -1.22432600 0.72316600 0.00000000 H -2.47944600 2.49644300 0.00000000 C 0.00010700 1.40625900 0.00000000 C -3.66399900 -0.71399200 0.00000000 H -2.47963600 -2.49627700 0.00000000 H -4.60998700 -1.24753400 0.00000000 C -3.66394700 0.71424500 0.00000000 H -4.60990000 1.24784700 0.00000000 C -2.48083900 1.40946700 0.00000000 H -0.00013900 -2.49398600 0.00000000 C 1.22429200 0.72312200 0.00000000 solventname=benzoquinone eps=2.7 epsinf=2.129