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	hartrees
Energy at 0K	-542.159121
Energy at 298.15K	-542.160293
HF Energy	-542.159121
Nuclear repulsion energy	158.820065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	681	652	0.00
2	A₂"	290	278	138.07
3	E'	944	904	191.91
3	E'	944	904	191.92
4	E'	236	225	33.28
4	E'	236	225	33.29

Atom	x (Å)	y (Å)
Al1	0.000	0.000
F2	0.000	1.637
F3	1.418	-0.818
F4	-1.418	-0.818

	Al1	F2	F3	F4
Al1		1.6370	1.6370	1.6370
F2	1.6370		2.8353	2.8353
F3	1.6370	2.8353		2.8353
F4	1.6370	2.8353	2.8353

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	F3	120.000		F2	Al1	F4	120.000
F3	Al1	F4	120.000

All results from a given calculation for AlF₃ (Aluminum trifluoride)

using model chemistry: B3PW91/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	Al	1.361
2	F	-0.454
3	F	-0.454
4	F	-0.454

<r²>	89.508
(<r²>)^1/2	9.461

All results from a given calculation for AlF3 (Aluminum trifluoride)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for AlF₃ (Aluminum trifluoride)