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	hartrees
Energy at 0K	-56.166887
Energy at 298.15K	-56.167604
Nuclear repulsion energy	40.466315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	865	828	147.11
2	A₁	428	410	8.59
3	A₁	149	143	7.99
4	B₁	229	219	63.29
5	B₂	622	596	226.24
6	B₂	199	191	26.00

Atom	y (Å)	z (Å)
Al1	0.000	0.357
F2	0.000	2.010
Cl3	1.823	-0.669
Cl4	-1.823	-0.669

	Al1	F2	Cl3	Cl4
Al1		1.6528	2.0918	2.0918
F2	1.6528		3.2402	3.2402
Cl3	2.0918	3.2402		3.6456
Cl4	2.0918	3.2402	3.6456

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.376		F2	Al1	Cl4	119.376
Cl3	Al1	Cl4	121.248

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

using model chemistry: B1B95/CEP-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	0.646
2	F	-0.364
3	Cl	-0.141
4	Cl	-0.141

	x	y	z	Total
	0.000	0.000	-0.451	0.451
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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