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	hartrees
Energy at 0K	-639.220011
Energy at 298.15K	-639.222132
Nuclear repulsion energy	192.312267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	960	869	193.69
2	A₁	528	477	50.41
3	E	921	833	236.35
3	E	921	833	236.35
4	E	376	340	8.62
4	E	376	340	8.62

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.501
F2	0.000	1.352	-0.278
F3	1.171	-0.676	-0.278
F4	-1.171	-0.676	-0.278
X5	0.000	0.000	1.501

	P1	F2	F3	F4	X5
P1		1.5600	1.5600	1.5600	1.0000
F2	1.5600		2.3410	2.3410	2.2342
F3	1.5600	2.3410		2.3410	2.2342
F4	1.5600	2.3410	2.3410		2.2342
X5	1.0000	2.2342	2.2342	2.2342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.238	F2	P1	F4	97.238
F2	P1	X5	119.956	F3	P1	F4	97.238
F3	P1	X5	119.956	F4	P1	X5	119.956

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

using model chemistry: HF/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	CHELPG	ESP
1	P	1.340	0.474	0.454
2	F	-0.447	-0.159	-0.150
3	F	-0.447	-0.158	-0.152
4	F	-0.447	-0.158	-0.152

	x	y	z	Total
	0.000	0.000	1.662	1.662
CHELPG
AIM
ESP	-0.000	0.011	1.698	1.698

<r²>	72.677
(<r²>)^1/2	8.525

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

using model chemistry: HF/6-311G*

States and conformations

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