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	hartrees
Energy at 0K	-640.956440
Energy at 298.15K	-640.958320
Nuclear repulsion energy	187.832629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	887	850	119.50
2	A₁	454	435	25.81
3	E	875	839	160.60
3	E	875	839	160.59
4	E	317	303	4.32
4	E	317	303	4.32

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.507
F2	0.000	1.387	-0.282
F3	1.201	-0.693	-0.282
F4	-1.201	-0.693	-0.282
X5	0.000	0.000	1.507

	P1	F2	F3	F4	X5
P1		1.5958	1.5958	1.5958	1.0000
F2	1.5958		2.4021	2.4021	2.2639
F3	1.5958	2.4021		2.4021	2.2639
F4	1.5958	2.4021	2.4021		2.2639
X5	1.0000	2.2639	2.2639	2.2639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.640	F2	P1	F4	97.640
F2	P1	X5	119.648	F3	P1	F4	97.640
F3	P1	X5	119.648	F4	P1	X5	119.648

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

using model chemistry: B3LYPultrafine/6-31G*

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	1.003
2	F	-0.334
3	F	-0.334
4	F	-0.334

	x	y	z	Total
	0.000	0.000	1.136	1.136
CHELPG
AIM
ESP

<r²>	74.809
(<r²>)^1/2	8.649

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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