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	hartrees
Energy at 0K	-540.201948
Energy at 298.15K
HF Energy	-539.689693
Nuclear repulsion energy	106.927058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	859	819	127.00
2	A₁	364	347	13.91
3	B₂	843	804	179.43

Atom	y (Å)	z (Å)
P1	0.000	0.570
F2	1.213	-0.475
F3	-1.213	-0.475

	P1	F2	F3
P1		1.6007	1.6007
F2	1.6007		2.4261
F3	1.6007	2.4261

All results from a given calculation for PF₂ (Phosphorus difluoride)

using model chemistry: CCSD/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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HF vs MP2 Bad vib. Calc. vs exp. 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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for PF2 (Phosphorus difluoride)

using model chemistry: CCSD/6-311G*

States and conformations

All results from a given calculation for PF₂ (Phosphorus difluoride)