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 |
CCSD=FULL/aug-cc-pVQZ
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 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.168 | 0.055 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.086 |
Highest value | CN2 | 3H-Diazirin-3-ylidene | 1.269 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.167 | 1 | 2 |
N2 | Nitrogen diatomic | 1.091 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.108 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.086 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.236 | 1 | 2 |
N2H2 | (E)-diazene | 1.235 | 1 | 2 |
H2NN | Isodiazene | 1.212 | 1 | 2 |
CNN | Diazocarbene | 1.202 | 2 | 3 |
N3 | azide radical | 1.168 | 1 | 2 |
1.168 | 1 | 3 | ||
CN2 | 3H-Diazirin-3-ylidene | 1.269 | 2 | 3 |
N2O | Nitrous oxide | 1.113 | 1 | 2 |
NNS | Nitrogen sulfide | 1.111 | 1 | 2 |
HN3 | hydrogen azide | 1.237 | 1 | 2 |
1.118 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.165 | 1 | 2 |
1.165 | 1 | 3 |