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	hartrees
Energy at 0K	-1622.611645
Energy at 298.15K	-1622.612111
Nuclear repulsion energy	294.336782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	370	367	0.00
2	A₂"	195	194	27.51
3	E'	600	596	160.11
3	E'	600	596	160.10
4	E'	138	137	6.63
4	E'	138	137	6.62

Atom	x (Å)	y (Å)
Al1	0.000	0.000
Cl2	0.000	2.092
Cl3	1.812	-1.046
Cl4	-1.812	-1.046

	Al1	Cl2	Cl3	Cl4
Al1		2.0919	2.0919	2.0919
Cl2	2.0919		3.6233	3.6233
Cl3	2.0919	3.6233		3.6233
Cl4	2.0919	3.6233	3.6233

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	Cl3	120.000		Cl2	Al1	Cl4	120.000
Cl3	Al1	Cl4	120.000

All results from a given calculation for AlCl₃ (Aluminum trichloride)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	0.630
2	Cl	-0.210
3	Cl	-0.210
4	Cl	-0.210

<r²>	255.038
(<r²>)^1/2	15.970

All results from a given calculation for AlCl3 (Aluminum trichloride)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for AlCl₃ (Aluminum trichloride)