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	hartrees
Energy at 0K	-1262.591006
Energy at 298.15K	-1262.591602
Nuclear repulsion energy	233.928310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	846	810	90.35
2	A₁	387	371	10.39
3	A₁	138	132	12.62
4	B₁	206	197	75.61
5	B₂	584	559	181.86
6	B₂	191	183	25.88

Atom	y (Å)	z (Å)
Al1	0.000	0.366
F2	0.000	2.061
Cl3	1.887	-0.686
Cl4	-1.887	-0.686

	Al1	F2	Cl3	Cl4
Al1		1.6955	2.1599	2.1599
F2	1.6955		3.3324	3.3324
Cl3	2.1599	3.3324		3.7734
Cl4	2.1599	3.3324	3.7734

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.130		F2	Al1	Cl4	119.130
Cl3	Al1	Cl4	121.741

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

using model chemistry: B3PW91/6-31G

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	1.096
2	F	-0.472
3	Cl	-0.312
4	Cl	-0.312

	x	y	z	Total
	0.000	0.000	-0.097	0.097
CHELPG
AIM
ESP

<r²>	205.825
(<r²>)^1/2	14.347

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

using model chemistry: B3PW91/6-31G

States and conformations

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