Formaldehye at b3lyp

Post on 12-Apr-2017

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Transcript of Formaldehye at b3lyp

%NProcShared=2#n B3LYP/6-31G(d) Opt Freq gfoldprint pop=full

Formaldehye at b3lyp

0 1H 0.48384 -0.15591 0.97346C 0.01306 0.00032 0.00148H 0.68393 0.18542 -0.83900O -1.18084 -0.02983 -0.13594