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	hartrees
Energy at 0K	-542.164582
Energy at 298.15K	-542.165745
HF Energy	-542.164582
Nuclear repulsion energy	158.012247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	686	682	0.00
2	A₂"	286	284	101.28
3	E'	956	951	128.36
3	E'	956	951	128.38
4	E'	234	233	26.30
4	E'	234	233	26.31

Atom	x (Å)	y (Å)
Al1	0.000	0.000
F2	0.000	1.639
F3	1.420	-0.820
F4	-1.420	-0.820

	Al1	F2	F3	F4
Al1		1.6392	1.6392	1.6392
F2	1.6392		2.8392	2.8392
F3	1.6392	2.8392		2.8392
F4	1.6392	2.8392	2.8392

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: BLYP/6-31G(2df,p)

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	0.636
2	F	-0.212
3	F	-0.212
4	F	-0.212

<r²>	89.802
(<r²>)^1/2	9.476

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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