Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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A | B | C |
---|---|---|
19.64720 | 0.90036 | 0.86092 |
Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
rOH | 0.960 | 1 | 2 | Gurvich | |||
rFO | 1.442 | 1 | 3 | Gurvich | |||
aHOF | 97.2 | 2 | 1 | 3 |
Bond Type | Count |
---|---|
H-O | 1 |
O-F | 1 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
O1 | 0.0529 | 0.7143 | 0.0000 |
H2 | -0.8995 | 0.8346 | 0.0000 |
F3 | 0.0529 | -0.7277 | 0.0000 |
O1 | H2 | F3 | |
---|---|---|---|
O1 | 0.9600 | 1.4420 | |
H2 | 0.9600 | 1.8297 | |
F3 | 1.4420 | 1.8297 |
squib | reference | DOI |
---|---|---|
1988Hal/Ha:4885 | Halonen, L.; Ha, T. "Equilibrium strcuture and anharmonic foce field of hypofluorous acid, HOF." Journal of Chemical Physics. 89, 4885-4888 (1988) | 10.1063/1.455658 |
Gurvich | Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 |
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