%nproc=12 %mem=21000MB #p opt freq b97d scrf=(solvent=benzene,SMD) gen pseudo=read scfcyc=300 TS3_insertion Energy= -939.494458133 +1 1 Au 0.12377300 -0.67025200 -0.36991000 C 0.46847200 -2.61082200 -1.17023200 C 1.76075000 -3.14782100 -0.60856500 O 2.80240200 -2.51878900 -1.21527700 O 1.89646600 -3.98798500 0.27445600 C 4.11542200 -2.84313700 -0.68941500 H 4.33317300 -3.91123600 -0.83714300 H 4.81282800 -2.22265900 -1.26394800 H 4.16810700 -2.59703200 0.38012200 C -0.07228300 1.23799300 0.29633900 C 0.47406200 3.32610000 0.99883000 C -0.88451800 3.28564100 0.84643800 H 1.14052000 4.12014500 1.31354200 H -1.65094700 4.03631000 0.99708100 N 0.94905500 2.06657200 0.64895800 N -1.19630900 1.99550700 0.42276600 C -0.73601700 -3.70188400 -0.92596500 C -1.80464600 -3.12184500 -1.75961100 C -0.99986000 -3.71895000 0.52470100 C -2.88271100 -2.46437300 -1.19958800 H -1.66552000 -3.14166800 -2.84137100 C -2.08448600 -3.05146400 1.06535800 H -0.35057900 -4.66622100 -1.29434900 C -3.01597800 -2.42683200 0.20793100 H -3.62319700 -1.96568100 -1.82210700 H -2.22935100 -3.01190400 2.14387400 H -3.85851200 -1.88268100 0.63639400 H -0.27439000 -4.22562100 1.15693600 H 0.57323200 -2.50370200 -2.26132400 C -2.51092500 1.48604500 0.12398900 C -3.36056300 1.15701500 1.20719200 C -2.87062500 1.30708400 -1.22910600 C -4.64417300 0.67498200 0.89200800 C -4.16782600 0.82211300 -1.48798500 C -5.04844700 0.51879400 -0.44312100 H -5.33615800 0.42458200 1.69601000 H -4.48651400 0.69579900 -2.52352100 H -6.05477500 0.15833600 -0.66625800 C 2.32468000 1.62643400 0.64076300 C 3.13294300 1.97957400 -0.46371600 C 2.76041700 0.78735800 1.68901900 C 4.45273400 1.49370000 -0.47091500 C 4.09131300 0.33348200 1.63448500 C 4.93021400 0.68619200 0.57091700 H 5.11079200 1.74261000 -1.30328000 H 4.46565500 -0.30482700 2.43589800 H 5.96020000 0.32464300 0.54749800 C 1.85831400 0.36246800 2.84330900 H 0.84216100 0.73238100 2.65453800 C 2.57187800 2.76468400 -1.64808600 H 1.72189100 3.36840700 -1.29688600 C -1.93516500 1.63866400 -2.38786700 H -0.93282100 1.83751700 -1.98926300 C -2.86249400 1.24092200 2.64934800 H -2.16211400 2.08570500 2.72617500 C -2.06993700 -0.04419300 2.99559600 H -1.61213500 0.05112200 3.99372900 H -2.75284400 -0.90921300 3.01512800 H -1.27641000 -0.24338400 2.25993000 C -3.97984100 1.47587900 3.68314100 H -3.53281000 1.63430100 4.67686800 H -4.58771600 2.35906500 3.43028500 H -4.65062400 0.60480400 3.75821800 C -1.79668500 0.45563900 -3.36927900 H -2.75236900 0.23596700 -3.87318600 H -1.05648100 0.70487800 -4.14607300 H -1.45878200 -0.45163000 -2.84561800 C -2.41036600 2.91035100 -3.12502900 H -2.46302800 3.77245300 -2.44064600 H -1.71122800 3.15683600 -3.94090800 H -3.41076600 2.76032500 -3.56284300 C 1.77363500 -1.17539600 2.94956500 H 1.05877900 -1.45788000 3.73979700 H 1.44490900 -1.62440400 2.00023400 H 2.75222800 -1.61003000 3.21030300 C 2.34367800 0.97765900 4.17421300 H 3.36419400 0.63786100 4.41377700 H 2.35368600 2.07871200 4.12430200 H 1.67896900 0.67329200 4.99969100 C 2.03090400 1.77921400 -2.71232100 H 1.26267200 1.11470500 -2.28941000 H 1.59190700 2.33665400 -3.55679600 H 2.84857800 1.14894500 -3.09889500 C 3.58908700 3.73631300 -2.27933800 H 3.08701200 4.34408600 -3.04896100 H 4.02020200 4.41519200 -1.52614000 H 4.41436900 3.19814700 -2.77205800 -Si -C -N -O -H 6-31g(d) ***** -Au 0 lanl2dz F 1 1.0 1.050 1.0000 ***** -Au 0 lanl2dz