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 | |||
O2 | Oxygen diatomic | rOO | 1.208 | 1.425 | 0.217 |
Se2 | Selenium diatomic | rSeSe | 2.166 | 2.371 | 0.205 |
NO | Nitric oxide | rNO | 1.154 | 1.241 | 0.087 |