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	hartrees
Energy at 0K	-637.563291
Energy at 298.15K	-637.565079
Nuclear repulsion energy	182.293284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	856	826	62.58
2	A₁	409	394	32.78
3	E	873	842	87.99
3	E	873	842	88.00
4	E	293	283	5.56
4	E	293	283	5.56

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.536
F2	0.000	1.421	-0.298
F3	1.231	-0.711	-0.298
F4	-1.231	-0.711	-0.298
X5	0.000	0.000	1.536

	P1	F2	F3	F4	X5
P1		1.6479	1.6479	1.6479	1.0000
F2	1.6479		2.4617	2.4617	2.3202
F3	1.6479	2.4617		2.4617	2.3202
F4	1.6479	2.4617	2.4617		2.3202
X5	1.0000	2.3202	2.3202	2.3202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	96.653	F2	P1	F4	96.653
F2	P1	X5	120.401	F3	P1	F4	96.653
F3	P1	X5	120.401	F4	P1	X5	120.401

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

using model chemistry: B3LYP/3-21G

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	1.148
2	F	-0.383
3	F	-0.383
4	F	-0.383

	x	y	z	Total
	0.000	0.000	1.793	1.793
CHELPG
AIM
ESP

	x	y	z
x	2.880	0.000	0.000
y	0.000	2.880	-0.000
z	0.000	-0.000	1.900

<r²>	78.478
(<r²>)^1/2	8.859

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

using model chemistry: B3LYP/3-21G

States and conformations

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