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III.G.1.a.

Compare Calculated Bonds for N-O

QCISD/aug-cc-pVTZ

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


Values greater than 1.55 are in the 1.55 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.259 0.121

  Species Name Bond Length (Å)
Lowest value NO3- nitrate anion 1.133
Highest value BrONO Bromine nitrite 1.472

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NO- nitric oxide anion 1.153 1 2
NO Nitric oxide 1.153 1 2
NO+ nitric oxide cation 1.153 1 2
NO3- nitrate anion 1.133 1 2
NO3 Nitrogen trioxide 1.133 1 2
NO3+ nitrogen trioxide cation 1.133 1 2
ONONO Nitrosyl nitrite 1.160 3 5
BrONO Bromine nitrite 1.157 3 4
NO3- nitrate anion 1.314 1 4
NO3 Nitrogen trioxide 1.314 1 4
NO3+ nitrogen trioxide cation 1.314 1 4
ONONO Nitrosyl nitrite 1.461 1 2
    1.160 2 4
BrNO Nitrosyl bromide 1.139 1 3
BrONO Bromine nitrite 1.472 2 3
HOONO2 peroxy nitric acid 1.461 1 2
    1.189 1 5
NO3- nitrate anion 1.314 1 3
NO3 Nitrogen trioxide 1.314 1 3
NO3+ nitrogen trioxide cation 1.314 1 3
ONONO Nitrosyl nitrite 1.461 1 3
NH3O Ammonia Oxide 1.373 1 2
HOONO2 peroxy nitric acid 1.191 1 4