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	hartrees
Energy at 0K	-639.182010
Energy at 298.15K	-639.184042
Nuclear repulsion energy	189.112307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	940	856	166.94
2	A₁	488	445	35.15
3	E	909	828	223.49
3	E	909	828	223.49
4	E	347	316	5.93
4	E	347	316	5.93

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.516
F2	0.000	1.370	-0.287
F3	1.187	-0.685	-0.287
F4	-1.187	-0.685	-0.287
X5	0.000	0.000	1.516

	P1	F2	F3	F4	X5
P1		1.5883	1.5883	1.5883	1.0000
F2	1.5883		2.3734	2.3734	2.2648
F3	1.5883	2.3734		2.3734	2.2648
F4	1.5883	2.3734	2.3734		2.2648
X5	1.0000	2.2648	2.2648	2.2648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	96.684	F2	P1	F4	96.684
F2	P1	X5	120.378	F3	P1	F4	96.684
F3	P1	X5	120.378	F4	P1	X5	120.378

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

using model chemistry: HF/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	1.872
2	F	-0.624
3	F	-0.624
4	F	-0.624

	x	y	z	Total
	0.000	0.000	1.527	1.527
CHELPG
AIM
ESP

<r²>	74.423
(<r²>)^1/2	8.627

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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