# opt freq=noraman b3lyp/def2tzvpp pop=npa empiricaldispersion=gd3bj scf=(maxconventionalcycles=150,xqc) Title 0 1 C -1.6129032 1.2604540 0.0000000 H -1.0797394 0.3327491 0.0000000 H -2.6829032 1.2604540 0.0000000 C -0.9376289 2.4354313 0.0000000 H -1.4707926 3.3631362 0.0000000 C 0.6023711 2.4354313 0.0000000 O 1.0790374 3.7836458 -0.0026144 O 1.0790374 1.7635879 1.1688951 C 2.5090374 1.7635877 1.1688955 H 2.8657037 2.6874059 1.5741719 H 2.8657034 0.9506987 1.7663074 H 2.8657045 1.6526581 0.1662075