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	hartrees
Energy at 0K	-641.145175
Energy at 298.15K	-641.147114
Nuclear repulsion energy	189.756728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	874	844	134.04
2	A₁	472	456	24.42
3	E	840	811	184.27
3	E	840	811	184.25
4	E	335	324	4.26
4	E	335	324	4.27

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.502
F2	0.000	1.373	-0.279
F3	1.189	-0.686	-0.279
F4	-1.189	-0.686	-0.279

	P1	F2	F3	F4
P1		1.5796	1.5796	1.5796
F2	1.5796		2.3780	2.3780
F3	1.5796	2.3780		2.3780
F4	1.5796	2.3780	2.3780

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	97.658		F2	P1	F4	97.658
F3	P1	F4	97.658

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

using model chemistry: B3LYP/cc-pV(T+d)Z

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	0.766
2	F	-0.255
3	F	-0.255
4	F	-0.255

	x	y	z	Total
	0.000	0.000	1.034	1.034
CHELPG
AIM
ESP

	x	y	z
x	3.455	0.000	0.000
y	0.000	3.456	-0.001
z	0.000	-0.001	2.878

<r²>	73.936
(<r²>)^1/2	8.599

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

using model chemistry: B3LYP/cc-pV(T+d)Z

States and conformations

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