Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/6-311+G(3df,2p)
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
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3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.183 | 0.085 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | N2 | Nitrogen diatomic | 1.086 |
Highest value | N2H4 | Hydrazine | 1.424 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.171 | 1 | 2 |
N2 | Nitrogen diatomic | 1.086 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.099 | 1 | 2 |
H2NN | Isodiazene | 1.209 | 1 | 2 |
N2H4 | Hydrazine | 1.424 | 1 | 2 |
N2H4+ | hydrazine cation | 1.303 | 1 | 2 |
CNN | Diazocarbene | 1.202 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.178 | 1 | 2 |
N2O | Nitrous oxide | 1.111 | 1 | 2 |
N2O+ | Nitrous oxide cation | 1.118 | 1 | 2 |
HN3 | hydrogen azide | 1.235 | 1 | 2 |
1.116 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.290 | 1 | 2 |
1.103 | 2 | 3 | ||
CH2N2 | diazirine | 1.209 | 2 | 3 |
CH2NN | diazomethane | 1.124 | 2 | 3 |
HNNNH+ | 1,2-Triazadienium | 1.161 | 1 | 2 |
1.161 | 1 | 3 |