Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
ROHF/aug-cc-pVTZ
10 | |||||||||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
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) |
Average bond length | Standard deviation |
---|---|
1.268 | 0.367 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NO3+ | nitrogen trioxide cation | 1.079 |
Highest value | NO3+ | nitrogen trioxide cation | 2.836 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO- | nitric oxide anion | 1.236 | 1 | 2 |
NO | Nitric oxide | 1.114 | 1 | 2 |
HNO | Nitrosyl hydride | 1.166 | 2 | 3 |
HNO+ | Nitrosyl hydride cation | 1.087 | 2 | 3 |
NOH | Hydroxyimidogen | 1.313 | 1 | 2 |
NOH+ | O-protonated nitric oxide | 1.151 | 1 | 2 |
NH2OH+ | Hydroxylamine cation | 1.270 | 1 | 2 |
NH3OH+ | N-protonated hydroxylamine | 1.368 | 1 | 2 |
NH2OH2+ | protonated hydroxylamine | 1.444 | 1 | 2 |
N2O- | Nitrous oxide anion | 1.281 | 2 | 3 |
NO2 | Nitrogen dioxide | 1.152 | 1 | 2 |
1.152 | 1 | 3 | ||
NO2+ | Nitrogen dioxide cation | 1.080 | 1 | 2 |
1.080 | 1 | 3 | ||
SNO | Nitrogen oxide sulfide | 1.135 | 1 | 3 |
BrNO | Nitrosyl bromide | 1.093 | 1 | 3 |
NO3+ | nitrogen trioxide cation | 2.836 | 1 | 2 |
1.079 | 1 | 3 | ||
1.079 | 1 | 4 | ||
BrONO | Bromine nitrite | 1.134 | 3 | 4 |
1.379 | 2 | 3 |