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	hartrees
Energy at 0K	-641.071969
Energy at 298.15K	-641.073847
Nuclear repulsion energy	187.496869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	859	830	145.28
2	A₁	458	442	29.96
3	E	826	798	189.43
3	E	826	798	189.43
4	E	324	313	5.65
4	E	324	313	5.65

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.510
F2	0.000	1.388	-0.284
F3	1.202	-0.694	-0.284
F4	-1.202	-0.694	-0.284
X5	0.000	0.000	1.510

	P1	F2	F3	F4	X5
P1		1.5992	1.5992	1.5992	1.0000
F2	1.5992		2.4043	2.4043	2.2684
F3	1.5992	2.4043		2.4043	2.2684
F4	1.5992	2.4043	2.4043		2.2684
X5	1.0000	2.2684	2.2684	2.2684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.478	F2	P1	F4	97.478
F2	P1	X5	119.772	F3	P1	F4	97.478
F3	P1	X5	119.772	F4	P1	X5	119.772

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

using model chemistry: B3LYP/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	ESP
1	P	1.093	0.422
2	F	-0.364	-0.140
3	F	-0.364	-0.141
4	F	-0.364	-0.141

	x	y	z	Total
	0.000	0.000	1.554	1.554
CHELPG
AIM
ESP	0.002	0.011	1.611	1.612

	x	y	z
x	3.156	0.000	0.000
y	0.000	3.156	-0.000
z	0.000	-0.000	2.399

<r²>	75.535
(<r²>)^1/2	8.691

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

using model chemistry: B3LYP/6-311G*

States and conformations

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