Formaldehye at b3lyp
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%NProcShared=2 #n B3LYP/6-31G(d) Opt Freq gfoldprint pop=full Formaldehye at b3lyp 0 1 H 0.48384 -0.15591 0.97346 C 0.01306 0.00032 0.00148 H 0.68393 0.18542 -0.83900 O -1.18084 -0.02983 -0.13594
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%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