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	hartrees
Energy at 0K	-632.639805
Energy at 298.15K	-632.641431
Nuclear repulsion energy	180.850780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	877	783	10.26
2	A₁	413	369	16.76
3	E	847	755	49.54
3	E	847	755	49.55
4	E	309	276	3.09
4	E	309	276	3.09

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.574
F2	0.000	1.412	-0.319
F3	1.223	-0.706	-0.319
F4	-1.223	-0.706	-0.319
X5	0.000	0.000	1.574

	P1	F2	F3	F4	X5
P1		1.6709	1.6709	1.6709	1.0000
F2	1.6709		2.4454	2.4454	2.3620
F3	1.6709	2.4454		2.4454	2.3620
F4	1.6709	2.4454	2.4454		2.3620
X5	1.0000	2.3620	2.3620	2.3620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	P1	F3	94.068	F2	P1	F4	94.068
F2	P1	X5	122.332	F3	P1	F4	94.068
F3	P1	X5	122.332	F4	P1	X5	122.332

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

using model chemistry: B3LYP/STO-3G

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	0.640
2	F	-0.213
3	F	-0.213
4	F	-0.213

	x	y	z	Total
	0.000	0.000	1.073	1.073
CHELPG
AIM
ESP

<r²>	76.332
(<r²>)^1/2	8.737

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

using model chemistry: B3LYP/STO-3G

States and conformations

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