return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

ROMP2/aug-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 1.12 are in the 1.12 bin.

histogram chart 9 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 8 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 line line line line line line line line line
histogram chart 7 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 line line line line line line line line line
histogram chart 6 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 line line line line line line line line line
histogram chart 5 line line line line histogram chart line 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
histogram chart 4 line line line line histogram chart line 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
histogram chart 3 line line line line histogram chart line 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
histogram chart 2 line line line line histogram chart line line histogram chart 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
histogram chart 1 line histogram chart line line histogram chart line line histogram chart line line line 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
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line line 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
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
1.186 0.065

  Species Name Bond Length (Å)
Lowest value HNO2 Nitrous acid 1.128
Highest value HNO2+ nitrous acid cation 1.301

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HNO2+ nitrous acid cation 1.301 2 3
HNO2 Nitrous acid 1.301 2 3
    1.128 3 4
HNO2+ nitrous acid cation 1.128 3 4
NO- nitric oxide anion 1.156 1 2
NO Nitric oxide 1.156 1 2
NO+ nitric oxide cation 1.156 1 2
NO2- Nitrogen dioxide anion 1.261 1 2
NO2+ Nitrogen dioxide cation 1.135 1 2
NO2- Nitrogen dioxide anion 1.135 1 2
NO2 Nitrogen dioxide 1.261 1 2
    1.135 1 2
NO2+ Nitrogen dioxide cation 1.261 1 2
    1.261 1 3
NO2 Nitrogen dioxide 1.135 1 3
    1.261 1 3
NO2- Nitrogen dioxide anion 1.135 1 3
NO2+ Nitrogen dioxide cation 1.135 1 3
NO2- Nitrogen dioxide anion 1.261 1 3
HNO Nitrosyl hydride 1.132 2 3
HNO+ Nitrosyl hydride cation 1.132 2 3
HNO- Nitrosyl hydride anion 1.132 2 3