%chk=10_adduct_COOMe_3.chk %Mem=12000MB %NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput coments 0 2 C -1.52539400 -1.34727700 1.13167600 C -2.90711300 -1.29391000 1.18831600 C -3.62784100 -1.15161400 0.00328000 C -2.93955900 -1.06111100 -1.20471000 C -1.55602200 -1.11720500 -1.19609800 N -0.87687000 -1.26698800 -0.04491300 H -4.71884100 -1.11044100 0.02197000 H -0.86280500 -1.46581400 1.99295400 H -3.40801100 -1.36480000 2.15390500 H -3.46569500 -0.94357200 -2.15211400 H -0.91752200 -1.05470100 -2.08084400 B 0.68018700 -1.36453700 -0.07426600 C 3.23304300 1.65826800 -0.11207100 H 3.13697500 1.76347600 -1.19538000 H 4.24202000 1.50863900 0.27645800 C 2.18220200 1.69271500 0.71293600 H 2.35943500 1.56225900 1.78533400 N 1.27572900 -1.58383600 1.19254300 N 1.24884100 -1.25874800 -1.36846300 C 2.58474800 -1.70641700 1.17701300 H 3.06681900 -1.88345800 2.15720800 C 2.55847000 -1.36252200 -1.40848900 H 3.02151400 -1.27648900 -2.41007600 B 3.41676900 -1.59186200 -0.13161100 H 4.62557900 -1.67977500 -0.15575000 C 0.70419315 1.87369254 0.32007854 O 0.34624892 2.02680818 -1.05590529 O -0.18964142 1.88729775 1.20576767 C 1.52502173 1.97837546 -1.86401972 H 2.18642174 2.76927729 -1.57779546 H 2.01400569 1.03678323 -1.72546015 H 1.25665618 2.09282603 -2.89347637 --link1-- %chk=10_adduct_COOMe_3.chk %Mem=12000MB %NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput