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3Â¥: Originally posted by 350161129 at 2013-11-19 11:21:44
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# B3LYP/6-31G(d) SCRF(SMD,Solvent=Generic,PCM=Read)

Water, solvation by methanol, re-defined as generic solvent.

0 1
O
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H,1,0.94,2,104.5

stoichiometry=C1H4O1      PCM ¹Ø¼ü´ÊµÄÊäÈë¶ÎÂä
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