Regular ArticleMillimeter-Wave Spectroscopy, High-Resolution Infrared Spectrum, ab Initio Calculations, and Molecular Geometry of FPS
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Supplementary Files
1 - This Supplementary material contains 10 Tables:
Table S1: Computed “RCCSD(T)” and experimental equilibrium bond lengths (pm) in PS (X2Πr) and PF (X3Σ−).
Table S2: Computed harmonic vibrational wavenumbers (cm−1) of FP32S.
Table S3: Computed (MP2/VQZ+1) anharmonicity constants xij (cm−1) and anharmonicity corrections ωi−νi (cm−1) of FP32S and FP34S.
Table S4: Quadratic, cubic and quartic force constantsa of FPS in internal coordinates.
Table S5: Computed (MP2/AVQZ+1) components of the equilibrium
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