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	hartrees
Energy at 0K	-540.470460
Energy at 298.15K	-540.471765
HF Energy	-540.470460
Nuclear repulsion energy	159.757565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	731	661	0.00
2	A₂"	314	284	189.82
3	E'	1007	911	240.56
3	E'	1007	911	240.56
4	E'	260	235	46.24
4	E'	260	235	46.24

Atom	x (Å)	y (Å)
Al1	0.000	0.000
F2	0.000	1.627
F3	1.409	-0.814
F4	-1.409	-0.814

	Al1	F2	F3	F4
Al1		1.6274	1.6274	1.6274
F2	1.6274		2.8187	2.8187
F3	1.6274	2.8187		2.8187
F4	1.6274	2.8187	2.8187

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/6-31+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	1.484
2	F	-0.495
3	F	-0.495
4	F	-0.495

<r²>	88.850
(<r²>)^1/2	9.426

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

using model chemistry: HF/6-31+G**

States and conformations

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