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	hartrees
Energy at 0K	-640.861908
Energy at 298.15K	-640.863715
Nuclear repulsion energy	184.679378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	851	821	123.67
2	A₁	427	411	20.62
3	E	823	793	192.02
3	E	823	793	192.01
4	E	303	292	3.83
4	E	303	292	3.83

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.524
F2	0.000	1.406	-0.291
F3	1.218	-0.703	-0.291
F4	-1.218	-0.703	-0.291
X5	0.000	0.000	1.524

	P1	F2	F3	F4	X5
P1		1.6251	1.6251	1.6251	1.0000
F2	1.6251		2.4354	2.4354	2.2958
F3	1.6251	2.4354		2.4354	2.2958
F4	1.6251	2.4354	2.4354		2.2958
X5	1.0000	2.2958	2.2958	2.2958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.060	F2	P1	F4	97.060
F2	P1	X5	120.092	F3	P1	F4	97.060
F3	P1	X5	120.092	F4	P1	X5	120.092

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

using model chemistry: B3PW91/aug-cc-pVDZ

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	1.324
2	F	-0.441
3	F	-0.441
4	F	-0.441

	x	y	z	Total
	0.000	0.000	1.473	1.473
CHELPG
AIM
ESP

	x	y	z
x	4.081	0.000	0.000
y	0.000	4.083	-0.001
z	0.000	-0.001	3.560

<r²>	77.231
(<r²>)^1/2	8.788

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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