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	hartrees
Energy at 0K	-641.119829
Energy at 298.15K	-641.121746
HF Energy	-641.119829
Nuclear repulsion energy	188.744702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	872	844	123.16
2	A₁	462	448	23.13
3	E	842	815	178.80
3	E	842	815	178.78
4	E	329	318	3.97
4	E	329	318	3.97

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.464
F2	0.000	1.514	-0.258
F3	1.311	-0.757	-0.258
F4	-1.311	-0.757	-0.258

	P1	F2	F3	F4
P1		1.6773	1.6773	1.6773
F2	1.6773		2.6227	2.6227
F3	1.6773	2.6227		2.6227
F4	1.6773	2.6227	2.6227

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	102.855		F2	P1	F4	102.855
F3	P1	F4	102.855

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

using model chemistry: TPSSh/cc-pVTZ

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	0.718
2	F	-0.239
3	F	-0.239
4	F	-0.239

	x	y	z	Total
	0.000	0.000	1.005	1.005
CHELPG
AIM
ESP

	x	y	z
x	3.514	0.000	0.000
y	0.000	3.517	-0.001
z	0.000	-0.001	2.933

<r²>	74.415
(<r²>)^1/2	8.626

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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