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	hartrees
Energy at 0K	-640.621317
Energy at 298.15K	-640.623098
Nuclear repulsion energy	185.525198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	823	815	123.84
2	A₁	432	428	23.40
3	E	797	788	171.01
3	E	797	788	171.02
4	E	306	302	4.46
4	E	306	302	4.46

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.513
F2	0.000	1.404	-0.285
F3	1.216	-0.702	-0.285
F4	-1.216	-0.702	-0.285
X5	0.000	0.000	1.513

	P1	F2	F3	F4	X5
P1		1.6155	1.6155	1.6155	1.0000
F2	1.6155		2.4327	2.4327	2.2817
F3	1.6155	2.4327		2.4327	2.2817
F4	1.6155	2.4327	2.4327		2.2817
X5	1.0000	2.2817	2.2817	2.2817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.689	F2	P1	F4	97.689
F2	P1	X5	119.610	F3	P1	F4	97.689
F3	P1	X5	119.610	F4	P1	X5	119.610

All results from a given calculation for PF₃ (Phosphorus trifluoride)

using model chemistry: PBEPBE/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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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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Number	Element	Mulliken
1	P	0.986
2	F	-0.329
3	F	-0.329
4	F	-0.329

	x	y	z	Total
	0.000	0.000	1.386	1.386
CHELPG
AIM
ESP

	x	y	z
x	3.318	0.000	0.000
y	0.000	3.319	-0.000
z	0.000	-0.000	2.554

<r²>	76.795
(<r²>)^1/2	8.763

All results from a given calculation for PF3 (Phosphorus trifluoride)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for PF₃ (Phosphorus trifluoride)