Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/daug-cc-pVTZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.168 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.079 |
Highest value | HN3+ | Hydrazoic acid cation | 1.324 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.112 | 1 | 2 |
N2 | Nitrogen diatomic | 1.110 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.104 | 1 | 2 |
H2NN | Isodiazene | 1.208 | 1 | 2 |
CNN | Diazocarbene | 1.220 | 2 | 3 |
N2O | Nitrous oxide | 1.150 | 1 | 2 |
HN3 | hydrogen azide | 1.237 | 1 | 2 |
1.141 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.324 | 1 | 2 |
1.079 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.163 | 1 | 2 |
1.163 | 1 | 3 |