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III.G.1.a.

Compare Calculated Bonds for N-O

PBEPBE/aug-cc-pVDZ

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.60 are in the 1.60 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.259 0.123

  Species Name Bond Length (Å)
Lowest value CH3NHCH2COOH Sarcosine 1.104
Highest value BrONO Bromine nitrite 1.526

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CH3NHCH2COOH Sarcosine 1.104 2 10
NH3O Ammonia Oxide 1.349 1 2
NO- nitric oxide anion 1.255 1 2
NO Nitric oxide 1.255 1 2
NO+ nitric oxide cation 1.255 1 2
BrNO Nitrosyl bromide 1.153 1 3
BrONO Bromine nitrite 1.526 2 3
    1.172 3 4