return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

MP2/cc-pVQZ

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


Values greater than 1.45 are in the 1.45 bin. Values less than 1.05 are in the 1.05 bin.

histogram chart 6 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 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 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 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 2 line line line line histogram chart line line histogram chart line line line line line histogram chart line line line line line histogram chart line line line line line line line
histogram chart 1 line line line line histogram chart line line histogram chart 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 line line line histogram chart line line histogram chart line line line line line histogram chart line line line line line histogram chart line line line line line line line
1.05 1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.225 0.097

  Species Name Bond Length (Å)
Lowest value NO- nitric oxide anion 1.079
Highest value NH3O Ammonia Oxide 1.351

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NO- nitric oxide anion 1.267 1 2
    1.267 1 2
    1.136 1 2
    1.079 1 2
NO Nitric oxide 1.267 1 2
    1.267 1 2
    1.136 1 2
    1.079 1 2
NO+ nitric oxide cation 1.267 1 2
    1.267 1 2
    1.136 1 2
    1.079 1 2
HNO+ Nitrosyl hydride cation 1.335 2 3
HNO Nitrosyl hydride 1.335 2 3
HNO- Nitrosyl hydride anion 1.335 2 3
NH3O Ammonia Oxide 1.351 1 2