return to home page

III.G.1.a.

Compare Calculated Bonds for N-O

ROHF/aug-cc-pVQZ

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


Values greater than 3.20 are in the 3.20 bin. Values less than 1.00 are in the 1.00 bin.

histogram chart 25 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 20 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 15 line histogram chart 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 10 line histogram chart 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 histogram chart 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 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 line line line line line line histogram chart line line line line line line line
1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00 3.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.272 0.433

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.078
Highest value NO3- nitrate anion 2.833

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
HNO2 Nitrous acid 1.239 2 3
HNO2+ nitrous acid cation 1.239 2 3
HNO2 Nitrous acid 1.147 3 4
HNO2+ nitrous acid cation 1.147 3 4
N2O- Nitrous oxide anion 1.261 2 3
N2O Nitrous oxide 1.261 2 3
N2O+ Nitrous oxide cation 1.261 2 3
NO2- Nitrogen dioxide anion 1.217 1 2
NO2 Nitrogen dioxide 1.217 1 2
NO2+ Nitrogen dioxide cation 1.217 1 2
NO2- Nitrogen dioxide anion 1.217 1 3
NO2 Nitrogen dioxide 1.217 1 3
NO2+ Nitrogen dioxide cation 1.217 1 3
NO2- Nitrogen dioxide anion 1.079 1 2
NO2 Nitrogen dioxide 1.079 1 2
NO2+ Nitrogen dioxide cation 1.079 1 2
NO2- Nitrogen dioxide anion 1.079 1 3
NO2 Nitrogen dioxide 1.079 1 3
NO2+ Nitrogen dioxide cation 1.079 1 3
NO3- nitrate anion 2.833 1 2
NO3 Nitrogen trioxide 2.833 1 2
NO3+ nitrogen trioxide cation 2.833 1 2
NO3- nitrate anion 1.078 1 3
NO3 Nitrogen trioxide 1.078 1 3
NO3+ nitrogen trioxide cation 1.078 1 3
NO3- nitrate anion 1.078 1 4
NO3 Nitrogen trioxide 1.078 1 4
NO3+ nitrogen trioxide cation 1.078 1 4
NO3- nitrate anion 1.171 1 2
NO3 Nitrogen trioxide 1.171 1 2
NO3+ nitrogen trioxide cation 1.171 1 2
NO3- nitrate anion 1.171 1 3
NO3 Nitrogen trioxide 1.171 1 3
NO3+ nitrogen trioxide cation 1.171 1 3
NO3- nitrate anion 1.171 1 4
NO3 Nitrogen trioxide 1.171 1 4
NO3+ nitrogen trioxide cation 1.171 1 4
BrNO Nitrosyl bromide 1.092 1 3
HNO- Nitrosyl hydride anion 1.086 2 3
HNO Nitrosyl hydride 1.086 2 3
HNO+ Nitrosyl hydride cation 1.086 2 3
BrONO Bromine nitrite 1.376 2 3
    1.133 3 4