%chk=Glycidol.chk %nprocshared=8 %mem=20GB #p opt b3lyp/6-311G** nosymm scrf=(smd,solvent=chloroform) IC 0 1 O 3.21248500 9.85079700 3.32472500 C 3.33986000 10.30811900 4.70420800 C 3.06451400 8.89274500 4.41066700 H 4.35151800 10.61282400 4.99574300 H 2.52081500 10.94804800 5.04864900 H 3.88663100 8.16892300 4.49031500 C 1.66729800 8.31421400 4.53685200 H 1.54305166 7.52634110 3.82360650 O 1.47454122 7.79592387 5.85560905 H 1.13047613 6.90135046 5.80122497 H 0.94630320 9.08187187 4.34772801