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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 | |
ROMP2/6-31G
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| 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.057 | 0.063 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NBr | nitrogen monobromide | 1.949 |
| Highest value | NBr3 | Nitrogen Tribromide | 2.094 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NBr | nitrogen monobromide | 1.949 | 1 | 2 |
| NBr3 | Nitrogen Tribromide | 2.094 | 1 | 2 |
| 2.094 | 1 | 3 | ||
| 2.094 | 1 | 4 |