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 |
---|---|
CH2FI | fluoroiodomethane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCF | 1.362 | 2012Puz/Caz:024310 | 1 | 2 | |||
rCI | 2.140 | 2012Puz/Caz:024310 | 1 | 3 | |||
rHC | 1.082 | 2012Puz/Caz:024310 | 1 | 4 | |||
aFCI | 110.5 | 2012Puz/Caz:024310 | 2 | 1 | 3 | ||
aHCF | 109.7 | 2012Puz/Caz:024310 | 2 | 1 | 4 | ||
aHCI | 107.0 | 2012Puz/Caz:024310 | 3 | 1 | 4 | ||
aHCH | 113.0 | 2012Puz/Caz:024310 | 4 | 1 | 5 |
squib | reference |
---|---|
2012Puz/Caz:024310 | C Puzzarini, G Cazzoli, JC López, JL Alonso, A Baldacci, A Baldan, S Stopkowicz, L Cheng, J Gauss "Rotational spectra of rare isotopic species of fluoroiodomethane: Determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations" J. Chem. Phys. 137, 024310 (2012) |