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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 |
|---|---|---|
| 0.11108 | 0.11108 | 0.11108 |
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rPP | 2.210 | 1 | 2 | 1935Max/Hen:699 | |||
| aPPP | 60 | 1 | 2 | 3 | 1935Max/Hen:699 | ||
| Bond Type | Count |
|---|---|
| P-P | 6 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| P1 | 0.0000 | 0.0000 | 1.3533 |
| P2 | 1.2759 | 0.0000 | -0.4511 |
| P3 | -0.6380 | -1.1050 | -0.4511 |
| P4 | -0.6380 | 1.1050 | -0.4511 |
| P1 | P2 | P3 | P4 | |
|---|---|---|---|---|
| P1 | 2.2099 | 2.2099 | 2.2099 | |
| P2 | 2.2099 | 2.2099 | 2.2099 | |
| P3 | 2.2099 | 2.2099 | 2.2099 | |
| P4 | 2.2099 | 2.2099 | 2.2099 |
| squib | reference | DOI |
|---|---|---|
| 1935Max/Hen:699 | LR Maxwell, SB Hendricks, VM Mosley "Electron Diffraction by Gases" J. Chem. Phys. 3, 699, 1935 | 10.1063/1.1749580 |
| 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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