%mem=22GB %nprocshared=12 #p opt nosymm freq=noraman scrf=(solvent=n,n-DiMethylFormamide,smd) b97d/gen pseudo=read opt 0 1 C -8.38883900 1.83356200 -0.43324900 C -7.67752100 2.32516600 -1.52421000 C -6.72064200 3.41186400 -1.38892800 C -6.66001700 4.02406500 -0.07089200 C -7.39618900 3.51662100 1.00559100 C -8.25463600 2.40005900 0.86546700 H -9.05875600 0.98094100 -0.58184900 H -7.78338300 1.83920600 -2.49914700 H -5.96747600 4.85424100 0.08528700 H -7.28408600 3.98732100 1.98742000 H -8.79978300 1.99234900 1.71828100 C -5.84994100 3.75254000 -2.43419400 O -5.04371600 4.92716900 -2.27353500 Si -3.38619700 4.69897100 -2.46774600 C -2.60297700 6.33734400 -1.92365200 H -2.94207100 7.17247500 -2.56256000 H -1.50013600 6.29381900 -1.98497500 C -2.94875700 4.31252000 -4.27335500 H -1.85317200 4.29816000 -4.41964100 H -3.36644300 5.08373500 -4.94565800 H -2.86934400 6.58254800 -0.88004000 H -3.34341800 3.33658000 -4.59897100 C -2.69143000 3.30319100 -1.37483700 C -2.33132100 2.04079800 -1.90819100 C -2.41724500 3.53406200 -0.00432800 C -1.72927100 1.05024300 -1.11173500 H -2.52159200 1.82624400 -2.96166700 C -1.80464400 2.55368900 0.79821600 H -2.68973500 4.48955500 0.44973800 C -1.45802600 1.30900600 0.24497800 H -1.48208400 0.07735000 -1.54514000 H -1.62938300 2.75671500 1.85490500 H -1.00119900 0.53881200 0.86950400 Cs -4.95418900 1.10488800 0.32812600 C -4.69976200 3.11900500 3.52210400 O -3.60055300 3.69340900 3.46471300 H -5.65688000 3.67716000 3.51002800 N -4.88446600 1.77369500 3.59408700 C -3.74065600 0.85991400 3.63600500 H -3.39031900 0.71062000 4.67221900 H -2.92349900 1.26918000 3.02935000 C -6.21082800 1.18937300 3.78732800 H -6.97501800 1.97499400 3.71061900 H -6.27564300 0.71136600 4.77997300 H -6.39957500 0.42565800 3.02082600 H -4.05177500 -0.10956800 3.22409400 H -6.11826700 3.54400400 -3.47436300 C -5.37923000 -2.07858700 1.69885700 O -4.23256500 -2.34633300 1.29182100 N -6.46262600 -1.84846800 0.91258900 H -5.61250300 -1.98290900 2.77755800 C -7.74160000 -1.41385700 1.47405000 H -7.93174500 -0.36780900 1.18095200 H -8.55395500 -2.05100300 1.08862400 H -7.71022600 -1.48674700 2.56980100 C -6.39322300 -1.93136100 -0.54800700 H -6.89501500 -2.84665500 -0.90185100 H -6.90599800 -1.06071300 -0.97996100 H -5.34296700 -1.94326300 -0.86441000 C -5.25231300 0.97363300 -3.85579100 O -5.17848000 0.29821000 -2.88966300 O -5.33152200 1.51543000 -4.89946900 C H O Si N 0 6-31+g(d) **** Cs 0 LANL2DZ **** Cs 0 LANL2DZ