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	hartrees
Energy at 0K	-1623.322575
Energy at 298.15K	-1623.323080
Nuclear repulsion energy	293.422993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	374	358	0.00
2	A₂"	207	198	31.53
3	E'	611	586	170.77
3	E'	611	586	170.80
4	E'	139	133	7.42
4	E'	139	133	7.42

Atom	x (Å)	y (Å)
Al1	0.000	0.000
Cl2	0.000	2.098
Cl3	1.817	-1.049
Cl4	-1.817	-1.049

	Al1	Cl2	Cl3	Cl4
Al1		2.0984	2.0984	2.0984
Cl2	2.0984		3.6346	3.6346
Cl3	2.0984	3.6346		3.6346
Cl4	2.0984	3.6346	3.6346

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: mPW1PW91/aug-cc-pVDZ

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	0.950
2	Cl	-0.317
3	Cl	-0.317
4	Cl	-0.317

<r²>	256.492
(<r²>)^1/2	16.015

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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