%chk=71_TS_2COOMe.chk %Mem=24000MB %NProc=12 #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint gfinput coments 0 2 C 3.03173700 0.43707500 -0.62442100 C 3.56382300 -0.83977000 -0.49177800 C 2.69128700 -1.54329600 0.35498200 N 1.91829900 0.46606700 0.12598900 H 1.18120800 1.18784800 0.18280400 H 4.47043100 -1.22112700 -0.95304400 N 1.69774800 -0.71944100 0.71524700 C 3.49830400 1.62929600 -1.38816300 H 2.65271600 2.15187400 -1.85809500 H 4.01524600 2.34266200 -0.72817300 H 4.19912600 1.32528800 -2.17512000 C 2.76917700 -2.95500500 0.82418500 H 1.91019900 -3.53512800 0.45721500 H 3.69210000 -3.42114000 0.45782600 H 2.75450600 -3.00607700 1.92196100 B 0.42448000 -0.93544700 1.56150800 C -1.30130100 0.09068500 -0.45135400 C -2.40460900 -0.84200700 -0.74744000 C -1.52282300 1.41867100 0.12185600 O -2.37812300 -1.63541500 -1.66006800 O -3.40206200 -0.77927900 0.13898300 O -2.52129000 1.90593600 0.57556300 O -0.33161300 2.12572600 0.13194700 C -4.48039100 -1.66867000 -0.07084700 C -0.39003600 3.41329300 0.72598500 H -5.20240000 -1.46857300 0.72890100 H -4.94763100 -1.49937600 -1.05229000 H -4.14374100 -2.71512600 -0.02481600 H 0.62233000 3.83069300 0.66015100 H -1.09844800 4.05843700 0.18813700 H -0.70444600 3.34631000 1.77694300 H 0.29584400 -2.09377300 1.88781700 H 0.29842500 -0.06478200 2.40315000 H -0.52072700 0.04614400 -1.21532700 H -0.57575800 -0.59067300 0.63634400 --Link1-- %chk=71_TS_2COOMe.chk %Mem=24000MB %NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput