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	hartrees
Energy at 0K	-640.856911
Energy at 298.15K	-640.858934
HF Energy	-640.856911
Nuclear repulsion energy	191.452054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	932	888	124.61
2	A'	912	869	161.07
3	A'	491	467	27.84
4	A'	347	331	4.25
5	A"	911	868	157.27
6	A"	347	330	4.06

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.447
F2	0.000	1.516	-0.248
F3	1.313	-0.758	-0.248
F4	-1.313	-0.758	-0.248

	P1	F2	F3	F4
P1		1.6682	1.6682	1.6682
F2	1.6682		2.6266	2.6266
F3	1.6682	2.6266		2.6266
F4	1.6682	2.6266	2.6266

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	103.862		F2	P1	F4	103.862
F3	P1	F4	103.862

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

using model chemistry: M06-2X/6-31G(2df,p)

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	0.421
2	F	-0.140
3	F	-0.140
4	F	-0.140

	x	y	z	Total
	0.579	-0.663	0.000	0.881
CHELPG
AIM
ESP

	x	y	z
x	3.183	0.290	0.000
y	0.290	3.073	0.000
z	0.000	0.000	3.426

<r²>	72.458
(<r²>)^1/2	8.512

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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