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	hartrees
Energy at 0K	-640.989201
Energy at 298.15K	-640.991048
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	870	833	127.37
2	A₁	436	417	23.01
3	E	842	807	194.50
3	E	842	807	194.55
4	E	308	295	4.29
4	E	308	295	4.29

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.525
F2	0.000	1.395	-0.292
F3	1.208	-0.697	-0.292
F4	-1.208	-0.697	-0.292

	P1	F2	F3	F4
P1		1.6164	1.6164	1.6164
F2	1.6164		2.4158	2.4158
F3	1.6164	2.4158		2.4158
F4	1.6164	2.4158	2.4158

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	96.711		F2	P1	F4	96.711
F3	P1	F4	96.711

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

using model chemistry: B1B95/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	1.322
2	F	-0.441
3	F	-0.441
4	F	-0.441

	x	y	z	Total
	0.000	0.000	1.514	1.514
CHELPG
AIM
ESP

	x	y	z
x	4.001	0.000	0.000
y	0.000	4.003	-0.001
z	0.000	-0.001	3.506

<r²>	76.370
(<r²>)^1/2	8.739

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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