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III.G.1.a.

Compare Calculated Bonds for N-O

B3LYP/cc-pCVDZ

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


Values greater than 1.22 are in the 1.22 bin. Values less than 1.13 are in the 1.13 bin.

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1.13 1.14 1.15 1.16 1.17 1.18 1.19 1.20 1.21 1.22
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.187 0.020

  Species Name Bond Length (Å)
Lowest value FNO Nitrosyl fluoride 1.140
Highest value HNO Nitrosyl hydride 1.202

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
FNO Nitrosyl fluoride 1.140 2 3
N2O+ Nitrous oxide cation 1.187 2 3
N2O Nitrous oxide 1.187 2 3
N2O- Nitrous oxide anion 1.187 2 3
HNO Nitrosyl hydride 1.202 2 3
HNO+ Nitrosyl hydride cation 1.202 2 3
HNO- Nitrosyl hydride anion 1.202 2 3