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	hartrees
Energy at 0K	-1262.758719
Energy at 298.15K	-1262.759432
Nuclear repulsion energy	240.185112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	848	818	141.55
2	A₁	420	405	7.03
3	A₁	144	139	6.25
4	B₁	231	223	53.95
5	B₂	618	596	209.01
6	B₂	193	186	23.55

Atom	y (Å)	z (Å)
Al1	0.000	0.352
F2	0.000	2.014
Cl3	1.835	-0.668
Cl4	-1.835	-0.668

	Al1	F2	Cl3	Cl4
Al1		1.6625	2.0990	2.0990
F2	1.6625		3.2497	3.2497
Cl3	2.0990	3.2497		3.6692
Cl4	2.0990	3.2497	3.6692

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.068		F2	Al1	Cl4	119.068
Cl3	Al1	Cl4	121.863

All results from a given calculation for AlFCl₂ (Aluminum dichloride fluoride)

using model chemistry: B3PW91/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	1.182
2	F	-0.637
3	Cl	-0.273
4	Cl	-0.273

	x	y	z	Total
	0.000	0.000	-0.526	0.526
CHELPG
AIM
ESP

<r²>	194.838
(<r²>)^1/2	13.958

All results from a given calculation for AlFCl2 (Aluminum dichloride fluoride)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for AlFCl₂ (Aluminum dichloride fluoride)