Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/6-31G
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1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.310 | 0.077 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | N2 | Nitrogen diatomic | 1.123 |
Highest value | CH2N4 | 1H-Tetrazole | 1.383 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.123 | 1 | 2 |
N2H4 | Hydrazine | 1.353 | 1 | 2 |
N2H4+ | hydrazine cation | 1.316 | 1 | 2 |
CH2N2 | diazirine | 1.259 | 2 | 3 |
CH2NN | diazomethane | 1.165 | 2 | 3 |
CH2N4 | 1H-Tetrazole | 1.368 | 2 | 3 |
1.300 | 3 | 4 | ||
1.383 | 4 | 5 | ||
C3H4N2 | 1H-Pyrazole | 1.362 | 7 | 9 |
CH5N3S | Hydrazinecarbothioamide | 1.375 | 2 | 10 |
C2H2N4 | sym-tetrazine | 1.351 | 3 | 6 |
1.351 | 4 | 5 | ||
C4H4N2 | Pyridazine | 1.353 | 9 | 10 |
C12H10N2 | azobenzene | 1.281 | 1 | 2 |