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	hartrees
Energy at 0K	-540.473996
Energy at 298.15K	-540.475301
HF Energy	-540.473996
Nuclear repulsion energy	161.110266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	746	675	0.00
2	A₂"	314	284	167.97
3	E'	1029	932	200.29
3	E'	1029	932	200.29
4	E'	254	230	39.44
4	E'	254	230	39.44

Atom	x (Å)	y (Å)
Al1	0.000	0.000
F2	0.000	1.615
F3	1.398	-0.807
F4	-1.398	-0.807

	Al1	F2	F3	F4
Al1		1.6148	1.6148	1.6148
F2	1.6148		2.7969	2.7969
F3	1.6148	2.7969		2.7969
F4	1.6148	2.7969	2.7969

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: HF/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	1.496
2	F	-0.499
3	F	-0.499
4	F	-0.499

<r²>	86.971
(<r²>)^1/2	9.326

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

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

States and conformations

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