%nprocshared=8 %mem=12GB #p opt=(ts,calcfc,noeigentest) freq wb97xd/6-31+g(d) scrf=(solvent=generic,read) Title Card Required 0 1 C -0.95249600 0.39646800 -0.22880600 N -2.09438100 0.93939600 0.20932100 N 0.18659500 1.01779800 -0.29174500 H -2.00041200 1.82142300 0.70507300 S -1.38635600 -2.26185500 0.19858000 O -1.85683900 -3.27841700 -0.71477100 O -2.12086100 -1.85194000 1.37227000 C 0.27100900 -2.87781800 0.81301900 N -0.98497200 -0.93192600 -0.69480700 H -0.42337700 -1.13618700 -1.52129000 F 1.02876700 -3.22777900 -0.21856600 F 0.87481200 -1.92707100 1.51267100 F 0.06070200 -3.93585400 1.58845100 S 3.71810000 0.20645600 -0.48153000 O 4.65228200 0.88451400 -1.38217500 O 3.55621200 0.70121900 0.88284500 C 4.52032700 -1.46145000 -0.25016300 N 2.30923400 -0.12741500 -1.11535600 H 1.23000600 0.43217600 -0.63748700 H 2.35739500 -0.17251800 -2.13256100 F 3.84789400 -2.20455800 0.63174700 F 4.56085600 -2.12391100 -1.41329500 F 5.77411900 -1.31987900 0.19543300 C 0.27893400 2.42230900 -0.05345300 C -0.15858800 3.33436700 -1.01606200 C 0.84259300 2.87586700 1.13646100 C -0.03635500 4.69867200 -0.77429700 H -0.59167900 2.97346300 -1.94499600 C 0.96183700 4.24599800 1.36368500 H 1.18583700 2.15780000 1.87493100 C 0.52443200 5.17747300 0.41724800 H -0.38183200 5.40548400 -1.52524600 H 1.40172200 4.59370700 2.29529300 C -3.42939300 0.49852500 -0.03145000 C -4.35463300 0.60863800 1.00233900 C -3.82599300 0.01679600 -1.27925800 C -5.67591800 0.22359800 0.78975100 H -4.03933600 0.98826300 1.97040900 C -5.14413600 -0.38509800 -1.46867700 H -3.11625000 -0.04278300 -2.09824800 C -6.09188900 -0.28976400 -0.44252900 H -6.39199100 0.31524800 1.60274100 H -5.44480500 -0.76617700 -2.44195700 C 0.67243300 6.65852600 0.65347100 H 0.86948600 6.87439900 1.70812000 H 1.50610100 7.06396100 0.06724500 H -0.23132000 7.19980800 0.35355400 C -7.51384700 -0.73306100 -0.66996500 H -7.56474200 -1.81616400 -0.83309300 H -8.14813700 -0.49127400 0.18840100 H -7.94049800 -0.25102200 -1.55678300 solventname=reactants_mix eps=16.697 epsinf=2.1065