return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

B1B95/cc-pVQZ

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


Values greater than 1.34 are in the 1.34 bin. Values less than 1.10 are in the 1.10 bin.

histogram chart 18 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 line line line line line line line line line line line line
histogram chart 16 line line line line line line line line line 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 line line line
histogram chart 14 line line line line line line line line line 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 line line line
histogram chart 12 line line line line line line line line line 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 line line line
histogram chart 10 line line line line line line line line line 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 line line line
histogram chart 8 line line line line line line line line line 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 line line line
histogram chart 6 line line line line line line line line line 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 line line line
histogram chart 4 line histogram chart line line histogram chart line line line line line line line line line line line histogram chart line line line line line histogram chart line line line line line line line line line line line line line line line line
histogram chart 2 line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart 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 line line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line line line
1.10 1.12 1.14 1.16 1.18 1.20 1.22 1.24 1.26 1.28 1.30 1.32 1.34
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.198 0.059

  Species Name Bond Length (Å)
Lowest value NO2- Nitrogen dioxide anion 1.110
Highest value HNO+ Nitrosyl hydride cation 1.319

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HNO2+ nitrous acid cation 1.278 2 3
HNO2 Nitrous acid 1.278 2 3
    1.129 3 4
HNO2+ nitrous acid cation 1.129 3 4
N2O+ Nitrous oxide cation 1.178 2 3
N2O Nitrous oxide 1.178 2 3
N2O- Nitrous oxide anion 1.178 2 3
NO- nitric oxide anion 1.250 1 2
    1.138 1 2
NO Nitric oxide 1.250 1 2
    1.138 1 2
NO+ nitric oxide cation 1.250 1 2
    1.138 1 2
NO2- Nitrogen dioxide anion 1.249 1 2
    1.110 1 2
NO2 Nitrogen dioxide 1.249 1 2
    1.110 1 2
NO2+ Nitrogen dioxide cation 1.110 1 2
    1.249 1 2
    1.249 1 3
    1.110 1 3
NO2 Nitrogen dioxide 1.110 1 3
    1.249 1 3
NO2- Nitrogen dioxide anion 1.110 1 3
    1.249 1 3
NO3- nitrate anion 1.207 1 2
    1.210 1 2
NO3 Nitrogen trioxide 1.207 1 2
    1.210 1 2
NO3+ nitrogen trioxide cation 1.207 1 2
    1.210 1 2
    1.210 1 3
    1.207 1 3
NO3 Nitrogen trioxide 1.210 1 3
    1.207 1 3
NO3- nitrate anion 1.210 1 3
    1.207 1 3
    1.207 1 4
    1.210 1 4
NO3 Nitrogen trioxide 1.207 1 4
    1.210 1 4
NO3+ nitrogen trioxide cation 1.207 1 4
    1.210 1 4
HNO+ Nitrosyl hydride cation 1.319 2 3
HNO Nitrosyl hydride 1.113 2 3
    1.319 2 3
HNO- Nitrosyl hydride anion 1.113 2 3
HNO+ Nitrosyl hydride cation 1.113 2 3
HNO- Nitrosyl hydride anion 1.319 2 3