Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Bond type | Species | Name | Angle | Comment |
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aOCH | CHOOCHO | diformyl ether | 108.55 | |
aOCH | CHOOCHO | diformyl ether | 112.05 | |
aO=CH | H2COO | Dioxymethyl radical | 114.86 | trans H fixed |
aO=CH | H2COO | Dioxymethyl radical | 117.96 | to cis H |
Average | 113.36 | ±4.01 | ||
Min | 108.55 | |||
Max | 117.96 |