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	hartrees
Energy at 0K	-542.059065
Energy at 298.15K	-542.060309
HF Energy	-542.059065
Nuclear repulsion energy	158.592943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	717	682	0.00
2	A₂"	296	282	149.03
3	E'	996	949	201.30
3	E'	996	949	201.30
4	E'	249	237	37.98
4	E'	249	237	38.09

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		1.6393	1.6393	1.6393
F2	1.6393		2.8394	2.8394
F3	1.6393	2.8394		2.8394
F4	1.6393	2.8394	2.8394

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: M06-2X/6-31+G**

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	1.115
2	F	-0.372
3	F	-0.372
4	F	-0.372

<r²>	89.840
(<r²>)^1/2	9.478

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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