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	hartrees
Energy at 0K	-640.822082
Energy at 298.15K	-640.823649
Nuclear repulsion energy	176.407031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	786	756	76.39
2	A₁	364	350	30.32
3	E	786	756	107.96
3	E	786	756	107.98
4	E	256	246	6.20
4	E	256	246	6.20

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.554
F2	0.000	1.468	-0.308
F3	1.272	-0.734	-0.308
F4	-1.272	-0.734	-0.308
X5	0.000	0.000	1.554

	P1	F2	F3	F4	X5
P1		1.7030	1.7030	1.7030	1.0000
F2	1.7030		2.5435	2.5435	2.3717
F3	1.7030	2.5435		2.5435	2.3717
F4	1.7030	2.5435	2.5435		2.3717
X5	1.0000	2.3717	2.3717	2.3717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	96.625	F2	P1	F4	96.625
F2	P1	X5	120.423	F3	P1	F4	96.625
F3	P1	X5	120.423	F4	P1	X5	120.423

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

using model chemistry: B3LYP/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
1	P	1.210
2	F	-0.403
3	F	-0.403
4	F	-0.403

	x	y	z	Total
	0.000	0.000	2.553	2.553
CHELPG
AIM
ESP

	x	y	z
x	3.337	0.000	0.000
y	0.000	3.338	-0.000
z	0.000	-0.000	2.345

<r²>	83.214
(<r²>)^1/2	9.122

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

using model chemistry: B3LYP/6-31G

States and conformations

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