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	hartrees
Energy at 0K	-73.648474
Energy at 298.15K	-73.649653
HF Energy	-73.648474
Nuclear repulsion energy	46.821667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	648	591	0.00
2	A₂"	292	266	250.61
3	E'	918	838	179.58
3	E'	918	838	179.58
4	E'	245	223	61.28
4	E'	245	223	61.28

Atom	x (Å)	y (Å)
Al1	0.000	0.000
F2	0.000	1.671
F3	1.447	-0.836
F4	-1.447	-0.836

	Al1	F2	F3	F4
Al1		1.6712	1.6712	1.6712
F2	1.6712		2.8947	2.8947
F3	1.6712	2.8947		2.8947
F4	1.6712	2.8947	2.8947

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/CEP-121G

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	2.082
2	F	-0.694
3	F	-0.694
4	F	-0.694

<r²>	76.680
(<r²>)^1/2	8.757

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

using model chemistry: HF/CEP-121G

States and conformations

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