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	hartrees
Energy at 0K	-637.725707
Energy at 298.15K	-637.727683
Nuclear repulsion energy	188.901552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	931	895	105.20
2	A₁	466	449	31.89
3	E	938	902	127.25
3	E	938	902	127.24
4	E	332	320	5.10
4	E	332	320	5.10

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.504
F2	0.000	1.379	-0.280
F3	1.194	-0.690	-0.280
F4	-1.194	-0.690	-0.280
X5	0.000	0.000	1.504

	P1	F2	F3	F4	X5
P1		1.5867	1.5867	1.5867	1.0000
F2	1.5867		2.3889	2.3889	2.2553
F3	1.5867	2.3889		2.3889	2.2553
F4	1.5867	2.3889	2.3889		2.2553
X5	1.0000	2.2553	2.2553	2.2553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.666	F2	P1	F4	97.666
F2	P1	X5	119.628	F3	P1	F4	97.666
F3	P1	X5	119.628	F4	P1	X5	119.628

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

using model chemistry: B3LYP/3-21G*

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	0.915
2	F	-0.305
3	F	-0.305
4	F	-0.305

	x	y	z	Total
	0.000	0.000	1.053	1.053
CHELPG
AIM
ESP

	x	y	z
x	2.692	0.000	0.000
y	0.000	2.693	-0.000
z	0.000	-0.000	1.883

<r²>	74.067
(<r²>)^1/2	8.606

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

using model chemistry: B3LYP/3-21G*

States and conformations

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