%nprocshared=12 %mem=20GB #p opt=(ts,calcfc,noeigentest,modredundant,maxstep=3) freq=noraman wb97xd/6-31+g(d) scrf=(solvent=generic,read) nosymm guess=always Title Card Required 0 1 C 1.94707800 0.51924200 0.35528100 N 1.39148500 0.77573000 1.49410100 N 2.76446900 0.01752300 -0.34974700 C 1.31073400 -0.26258200 2.56081500 C 2.86475300 -0.59304500 -1.66693200 H 0.72953700 1.56395600 1.52313800 S -0.80140500 2.17506400 -0.40667300 O -1.63378300 3.03189400 -1.27492900 O -0.72542900 2.58936300 1.02223100 N 0.68857300 1.98268100 -0.89441400 H 0.72935300 1.89984500 -1.90882500 C 4.30583500 -0.51206200 -2.15468600 H 4.96594500 -1.08859300 -1.49832300 H 4.37330100 -0.92679300 -3.16468800 H 4.65282900 0.52469100 -2.18092500 C 2.34619400 -2.02864700 -1.59703900 H 2.40389400 -2.48310200 -2.59056700 H 2.95473600 -2.62352900 -0.90813000 H 1.30481100 -2.05859700 -1.26240000 C 0.44934800 -1.43850700 2.10809700 H 0.92367600 -1.96835200 1.27376300 H 0.33004400 -2.14720900 2.93335500 H -0.54153700 -1.10232900 1.78912100 C 2.70632700 -0.68450700 3.00385800 H 3.24097200 -1.19535700 2.19543700 H 3.29501700 0.18003800 3.32369600 H 2.62372800 -1.38069000 3.84368500 C -1.61808500 0.57218400 -0.34852800 C -2.65711600 0.36648900 0.55946500 C -1.21319300 -0.45647200 -1.19102100 C -3.27600300 -0.87634900 0.62390000 H -2.96537700 1.16657700 1.22516400 C -1.84150100 -1.69865000 -1.11816000 H -0.40180400 -0.30157200 -1.89636500 C -2.87671000 -1.92986400 -0.20942400 H -4.07814500 -1.03548200 1.34058600 H -1.51332700 -2.49914700 -1.77647400 C -3.54967100 -3.27501900 -0.11157500 H -3.39176300 -3.71943100 0.87746700 H -4.63116200 -3.18130500 -0.25788800 H -3.16377300 -3.97149400 -0.86133000 H 0.81378000 0.25962300 3.38192300 H 2.21900000 -0.00025600 -2.32603600 B 1 10 B solventname=reactants_mix eps=16.697 epsinf=2.1065