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 |
---|---|
CH3NO | nitrosomethane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rNO | 1.211 | 1978Tur/Cox:533-559 | 2 | 3 | |||
rCN | 1.482 | 1978Tur/Cox:533-559 | 1 | 2 | |||
rCH | 1.094 | 1978Tur/Cox:533-559 | symmetric H | 1 | 4 | ||
rCH | 1.092 | 1978Tur/Cox:533-559 | out of plane | 1 | 5 | ||
aCNO | 113.2 | 1978Tur/Cox:533-559 | 1 | 2 | 3 | ||
aHCN | 111.1 | 1978Tur/Cox:533-559 | 2 | 1 | 4 | ||
aHCN | 107.3 | 1978Tur/Cox:533-559 | out of plane H | 2 | 1 | 5 | |
aHCH | 109.3 | 1978Tur/Cox:533-559 | out of plane Hs | 5 | 1 | 6 |
squib | reference |
---|---|
1978Tur/Cox:533-559 | PH Turner, AP Cox "Microwave spectrum, structure, dipole moment and centrifugal distortion of nitrosomethane. Dipole moment of acetaldehyde" J. Chem. Soc., Faraday Trans. 2, 1978,74, 533-559 |