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	hartrees
Energy at 0K	-639.129229
Energy at 298.15K	-639.131328
Nuclear repulsion energy	191.795503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	976	881	167.01
2	A₁	513	463	41.98
3	E	956	863	208.53
3	E	956	863	208.53
4	E	364	328	6.69
4	E	364	328	6.69

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.502
F2	0.000	1.355	-0.279
F3	1.174	-0.678	-0.279
F4	-1.174	-0.678	-0.279
X5	0.000	0.000	1.502

	P1	F2	F3	F4	X5
P1		1.5641	1.5641	1.5641	1.0000
F2	1.5641		2.3477	2.3477	2.2377
F3	1.5641	2.3477		2.3477	2.2377
F4	1.5641	2.3477	2.3477		2.2377
X5	1.0000	2.2377	2.2377	2.2377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.264	F2	P1	F4	97.264
F2	P1	X5	119.936	F3	P1	F4	97.264
F3	P1	X5	119.936	F4	P1	X5	119.936

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

using model chemistry: HF/6-31G**

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
1	P	1.321	0.397
2	F	-0.440	-0.133
3	F	-0.440	-0.132
4	F	-0.440	-0.132

	x	y	z	Total
	0.000	0.000	1.381	1.381
CHELPG
AIM
ESP

<r²>	72.542
(<r²>)^1/2	8.517

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

using model chemistry: HF/6-31G**

States and conformations

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