#p freq=noraman gen integral=grid=ultrafine m06l scf=(intrep,xqc,maxconventionalcycles=150) Title Card Required 0 1 O 0.000000 0.120271 -0.000001 H 0.751244 -0.481086 0.000020 H -0.751244 -0.481086 -0.000011 O H 0 Def2SVP ****