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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
Atomic number questionable - set to 1 | |
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A | B | C |
---|---|---|
0.35205 | 0.35205 |
Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
rCF | 1.262 | 1 | 2 | Gurvich | |||
rCN | 1.159 | 1 | 3 | Gurvich |
Bond Type | Count |
---|---|
C-F | 1 |
C#N | 1 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
C1 | 0.0000 | 0.0000 | 0.0000 |
F2 | 0.0000 | 0.0000 | -1.2620 |
N3 | 0.0000 | 0.0000 | 1.1590 |
C1 | F2 | N3 | |
---|---|---|---|
C1 | 1.2620 | 1.1590 | |
F2 | 1.2620 | 2.4210 | |
N3 | 1.1590 | 2.4210 |
squib | reference | DOI |
---|---|---|
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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