%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 -4.58724600 -1.55767300 0.00044000 C -3.65224100 -1.00531700 0.00032300 H -2.42306200 -2.75718600 -0.00040400 C -2.45265100 -1.67060500 -0.00016700 C -2.50139400 1.13900000 0.00051300 C -1.21093700 -0.95713200 -0.00029200 C -3.67263600 0.42013500 0.00075900 C -1.22194300 0.48862100 -0.00014400 C 0.01300900 -1.63560000 -0.00049800 H -4.62566100 0.94116700 0.00131900 H -2.55299200 2.22132800 0.00099700 C 1.22672500 -0.94149400 -0.00031200 C 2.47292500 -1.64951700 -0.00016100 C 1.22841700 0.50963500 -0.00020300 H 2.56677700 2.23988200 0.00074900 C -0.00221600 1.21330700 -0.00047400 C 3.66974700 -0.98199700 0.00028200 H 2.44610000 -2.73616200 -0.00033200 H 4.60681300 -1.53078400 0.00044700 C 3.68330000 0.44406700 0.00060600 H 4.63368700 0.96985200 0.00109100 C 2.51086500 1.15853700 0.00034800 H 0.02055200 -2.72299900 -0.00066500 C -0.06044400 2.72572100 -0.00076500 H -0.59851500 3.09729000 -0.88030900 H 0.92199200 3.19318600 -0.00498900 H -0.59159900 3.09793600 0.88277000 solventname=mixmaleic eps=26.7 epsinf=2.42