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	hartrees
Energy at 0K	-641.159867
Energy at 298.15K	-641.161798
HF Energy	-641.159867
Nuclear repulsion energy	189.568170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	875	842	137.55
2	A₁	472	454	24.70
3	E	839	807	195.32
3	E	839	807	195.30
4	E	335	323	4.43
4	E	335	323	4.43

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.460
F2	0.000	1.514	-0.256
F3	1.311	-0.757	-0.256
F4	-1.311	-0.757	-0.256

	P1	F2	F3	F4
P1		1.6749	1.6749	1.6749
F2	1.6749		2.6225	2.6225
F3	1.6749	2.6225		2.6225
F4	1.6749	2.6225	2.6225

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	103.053		F2	P1	F4	103.053
F3	P1	F4	103.053

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

using model chemistry: B3LYP/Def2TZVPP

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	0.731
2	F	-0.244
3	F	-0.244
4	F	-0.244

	x	y	z	Total
	0.000	0.000	1.113	1.113
CHELPG
AIM
ESP

	x	y	z
x	3.566	0.000	0.000
y	0.000	3.567	-0.001
z	0.000	-0.001	2.987

<r²>	74.158
(<r²>)^1/2	8.612

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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