III.G.10.b. |
Bond Length differences between CCSD(T) (frozen core) and CCSD(T)=FULL (all electrons correlated)
Choose the bonds for CH3CHOH+ (acetaldehyde, protonated)Species | Name | Level |
---|---|---|
CH3CHOH+ | acetaldehyde, protonated | HF/6-31G* |
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