Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name | Bond type | Bond Length (Å) | ||
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Experimental | Calculated | Difference | |||
BF | Boron monofluoride | rBF | 1.267 | 1.336 | 0.070 |
BF | Boron monofluoride | rBF | 1.267 | 1.336 | 0.070 |
NO | Nitric oxide | rNO | 1.154 | 1.217 | 0.064 |
NO | Nitric oxide | rNO | 1.154 | 1.217 | 0.064 |
H2CO | Formaldehyde | rCO | 1.205 | 1.256 | 0.051 |