%nprocshared=4 %mem=4GB #p opt freq wb97xd/6-31+g(d) scrf=(solvent=generic,read) Title Card Required 0 1 S -1.89466100 0.05878200 -0.11641500 O -2.36998300 -0.86358100 -1.14637100 O -2.32711100 1.45535900 -0.17363600 C -0.11818600 0.03732100 -0.05354500 C 0.58398800 1.23605600 0.00305700 C 0.54758000 -1.19023100 -0.07731400 C 1.97757300 1.20198100 0.03883500 H 0.05627400 2.18412900 0.02049700 C 1.93460400 -1.20453600 -0.03924200 H -0.00850900 -2.12214700 -0.12085900 C 2.67113400 -0.01072400 0.01765400 H 2.52895700 2.13750900 0.08479000 H 2.45803800 -2.15739400 -0.05642600 C 4.17589100 -0.04995400 0.04261900 H 4.56747400 -0.39595900 -0.92173600 H 4.59933200 0.93842300 0.24439200 H 4.53776100 -0.74528600 0.80807400 N -2.29181800 -0.65819600 1.33651800 H -2.19530600 -0.00655000 2.11545300 H -3.24548300 -1.01956800 1.30049800 solventname=reactants_mix eps=16.697 epsinf=2.1065