return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for N-O

17 01 10 14 40

M06-2X/6-311+G(3df,2p)

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


Values greater than 1.50 are in the 1.50 bin. Values less than 1.10 are in the 1.10 bin.

histogram chart 16 line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 14 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 12 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 10 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 8 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 6 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 4 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 2 line line line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line
1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.240 0.093

  Species Name Bond Length (Å)
Lowest value HNO+ Nitrosyl hydride cation 1.112
Highest value HOONO2 peroxy nitric acid 1.442

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HNO- Nitrosyl hydride anion 1.314 2 3
HNO Nitrosyl hydride 1.188 2 3
HNO+ Nitrosyl hydride cation 1.112 2 3
NH2OH hydroxylamine 1.420 1 2
NH2OH+ Hydroxylamine cation 1.283 1 2
N2O- Nitrous oxide anion 1.294 2 3
N2O Nitrous oxide 1.178 2 3
N2O+ Nitrous oxide cation 1.197 2 3
NO2 Nitrogen dioxide 1.179 1 2
    1.179 1 3
SNO Nitrogen oxide sulfide 1.173 1 3
FNO Nitrosyl fluoride 1.126 2 3
ClNO Nitrosyl chloride 1.123 2 3
HCNO fulminic acid 1.195 1 2
CH3NO nitrosomethane 1.189 2 3
ClONO chlorine nitrite 1.152 3 4
    1.400 2 3
HNO3 Nitric acid 1.377 1 2
    1.199 1 3
    1.184 1 4
CH3NO2 Methane, nitro- 1.207 2 6
    1.207 2 7
CH3ONO Methyl nitrite 1.173 6 7
    1.362 2 6
C2H3NO Nitrosoethylene 1.198 3 4
HOONO2 peroxy nitric acid 1.442 1 2
    1.182 1 4
    1.183 1 5
C2H2N2O Furazan 1.346 1 2
    1.346 1 3
C3H3NO Isoxazole 1.369 4 5
C6H5NO nitrosobenzene 1.196 7 8