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	hartrees
Energy at 0K	-640.992403
Energy at 298.15K	-640.994347
Nuclear repulsion energy	190.119533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	885	854	114.58
2	A₁	472	455	22.50
3	E	868	838	148.21
3	E	868	838	148.14
4	E	333	322	3.47
4	E	333	322	3.48

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.500
F2	0.000	1.371	-0.278
F3	1.187	-0.686	-0.278
F4	-1.187	-0.686	-0.278
X5	0.000	0.000	1.500

	P1	F2	F3	F4	X5
P1		1.5762	1.5762	1.5762	1.0000
F2	1.5762		2.3749	2.3749	2.2447
F3	1.5762	2.3749		2.3749	2.2447
F4	1.5762	2.3749	2.3749		2.2447
X5	1.0000	2.2447	2.2447	2.2447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.771	F2	P1	F4	97.771
F2	P1	X5	119.548	F3	P1	F4	97.771
F3	P1	X5	119.548	F4	P1	X5	119.548

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.282
2	F	-0.094
3	F	-0.094
4	F	-0.094

	x	y	z	Total
	0.000	0.000	0.785	0.785
CHELPG
AIM
ESP

	x	y	z
x	3.504	0.000	0.000
y	0.000	3.505	-0.001
z	0.000	-0.001	2.903

<r²>	73.391
(<r²>)^1/2	8.567

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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