return to home page Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Calculated Bonds for O-C

17 01 10 14 40

QCISD(T)=FULL/Def2TZVPP
Calculated Bond lengths
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Species Name Bond Length (Å) Atom1 index Atom2 index
HCO- formyl anion 1.244 1 3