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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 |
|---|---|---|
| 0.12564 | 0.10452 | 0.10452 |
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rFP | 1.577 | 1 | 5 | Gurvich | axial | ||
| rPF | 1.534 | 1 | 2 | Gurvich | equatorial | ||
| Bond Type | Count |
|---|---|
| F-P | 5 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| P1 | 0.0000 | 0.0000 | 0.0000 |
| F2 | 0.0000 | 1.5340 | 0.0000 |
| F3 | 1.3285 | -0.7670 | 0.0000 |
| F4 | -1.3285 | -0.7670 | 0.0000 |
| F5 | 0.0000 | 0.0000 | 1.5770 |
| F6 | 0.0000 | 0.0000 | -1.5770 |
| P1 | F2 | F3 | F4 | F5 | F6 | |
|---|---|---|---|---|---|---|
| P1 | 1.5340 | 1.5340 | 1.5340 | 1.5770 | 1.5770 | |
| F2 | 1.5340 | 2.6570 | 2.6570 | 2.2000 | 2.2000 | |
| F3 | 1.5340 | 2.6570 | 2.6570 | 2.2000 | 2.2000 | |
| F4 | 1.5340 | 2.6570 | 2.6570 | 2.2000 | 2.2000 | |
| F5 | 1.5770 | 2.2000 | 2.2000 | 2.2000 | 3.1540 | |
| F6 | 1.5770 | 2.2000 | 2.2000 | 2.2000 | 3.1540 |
| squib | reference | DOI |
|---|---|---|
| 1991Sty/Bau:479 | Styger, C.; Bauder, A. "Pure Rotational Spectrum of Phosphorus Pentafluoride Observed by Microwave Fourier Transform Spectroscopy." Journal of Molecular Spectroscopy. 148, 479-493 (1991) | 10.1016/0022-2852(91)90403-W |
| 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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