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	hartrees
Energy at 0K	-641.028979
Energy at 298.15K	-641.030943
HF Energy	-641.028979
Nuclear repulsion energy	189.786017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	893	854	136.66
2	A₁	475	454	25.66
3	E	857	819	192.95
3	E	857	819	193.00
4	E	339	324	4.26
4	E	339	324	4.27

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.458
F2	0.000	1.515	-0.254
F3	1.312	-0.757	-0.254
F4	-1.312	-0.757	-0.254

	P1	F2	F3	F4
P1		1.6737	1.6737	1.6737
F2	1.6737		2.6236	2.6236
F3	1.6737	2.6236		2.6236
F4	1.6737	2.6236	2.6236

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	103.220		F2	P1	F4	103.220
F3	P1	F4	103.220

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.736
2	F	-0.245
3	F	-0.245
4	F	-0.245

	x	y	z	Total
	0.000	0.000	1.046	1.046
CHELPG
AIM
ESP

	x	y	z
x	3.451	0.000	0.000
y	0.000	3.454	-0.003
z	0.000	-0.003	2.860

<r²>	73.791
(<r²>)^1/2	8.590

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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