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	hartrees
Energy at 0K	-640.621317
Energy at 298.15K	-640.623109
Nuclear repulsion energy	185.574424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	824	816	123.79
2	A₁	433	429	23.50
3	E	797	790	170.89
3	E	797	790	170.90
4	E	306	303	4.48
4	E	306	303	4.48

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.514
F2	0.000	1.404	-0.285
F3	1.216	-0.702	-0.285
F4	-1.216	-0.702	-0.285
X5	0.000	0.000	1.514

	P1	F2	F3	F4	X5
P1		1.6152	1.6152	1.6152	1.0000
F2	1.6152		2.4314	2.4314	2.2818
F3	1.6152	2.4314		2.4314	2.2818
F4	1.6152	2.4314	2.4314		2.2818
X5	1.0000	2.2818	2.2818	2.2818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	97.646	F2	P1	F4	97.646
F2	P1	X5	119.644	F3	P1	F4	97.646
F3	P1	X5	119.644	F4	P1	X5	119.644

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

using model chemistry: PBEPBE/6-311G**

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	0.986
2	F	-0.329
3	F	-0.329
4	F	-0.329

	x	y	z	Total
	0.000	0.000	1.390	1.390
CHELPG
AIM
ESP

	x	y	z
x	3.317	0.000	0.000
y	0.000	3.317	-0.000
z	0.000	-0.000	2.555

<r²>	76.750
(<r²>)^1/2	8.761

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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