Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CISD/Def2TZVPP
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.08 | 1.10 | 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.167 | 0.070 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.083 |
Highest value | HN3+ | Hydrazoic acid cation | 1.306 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NNH+ | Dinitrogen monohydride cation | 1.083 | 1 | 2 |
H2NN | Isodiazene | 1.211 | 1 | 2 |
CNN | Diazocarbene | 1.214 | 2 | 3 |
N2O | Nitrous oxide | 1.106 | 1 | 2 |
HN3 | hydrogen azide | 1.234 | 1 | 2 |
1.109 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.306 | 1 | 2 |
1.086 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.158 | 1 | 2 |
1.158 | 1 | 3 |