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	hartrees
Energy at 0K	-541.724705
Energy at 298.15K	-541.725890
HF Energy	-541.724705
Nuclear repulsion energy	157.391004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	682	670	0.00
2	A₂"	283	278	107.01
3	E'	958	942	122.47
3	E'	958	942	122.46
4	E'	249	245	27.09
4	E'	249	245	27.09

Atom	x (Å)	y (Å)
Al1	0.000	0.000
F2	0.000	1.644
F3	1.424	-0.822
F4	-1.424	-0.822

	Al1	F2	F3	F4
Al1		1.6442	1.6442	1.6442
F2	1.6442		2.8478	2.8478
F3	1.6442	2.8478		2.8478
F4	1.6442	2.8478	2.8478

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: PBEPBEultrafine/6-31G*

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	1.163
2	F	-0.388
3	F	-0.388
4	F	-0.388

<r²>	90.371
(<r²>)^1/2	9.506

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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