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	hartrees
Energy at 0K	-639.306640
Energy at 298.15K	-639.308784
HF Energy	-639.306640
Nuclear repulsion energy	193.827384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	972	879	167.38
2	A'	936	847	218.00
3	A'	533	482	41.59
4	A'	381	345	6.28
5	A"	936	847	217.86
6	A"	381	345	6.27

Atom	x (Å)	y (Å)	z (Å)
P1	0.325	-0.373	0.000
F2	0.325	0.648	1.162
F3	0.325	0.648	-1.162
F4	-1.192	-0.675	0.000

	P1	F2	F3	F4
P1		1.5473	1.5473	1.5474
F2	1.5473		2.3241	2.3248
F3	1.5473	2.3241		2.3248
F4	1.5474	2.3248	2.3248

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	97.361		F2	P1	F4	97.392
F3	P1	F4	97.392

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

using model chemistry: HF/daug-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	2.215
2	F	-0.738
3	F	-0.738
4	F	-0.738

	x	y	z	Total
	0.684	-0.785	0.000	1.041
CHELPG
AIM
ESP

	x	y	z
x	3.396	0.224	0.000
y	0.224	3.334	0.000
z	0.000	0.000	3.591

<r²>	71.659
(<r²>)^1/2	8.465

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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