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	hartrees
Energy at 0K	-1259.322129
Energy at 298.15K	-1259.322873
Nuclear repulsion energy	244.104793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	914	897	108.59
2	A₁	437	429	9.28
3	A₁	148	145	6.63
4	B₁	221	216	49.85
5	B₂	639	627	204.09
6	B₂	200	197	18.73

Atom	y (Å)	z (Å)
Al1	0.000	0.356
F2	0.000	1.993
Cl3	1.797	-0.664
Cl4	-1.797	-0.664

	Al1	F2	Cl3	Cl4
Al1		1.6367	2.0658	2.0658
F2	1.6367		3.2068	3.2068
Cl3	2.0658	3.2068		3.5935
Cl4	2.0658	3.2068	3.5935

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.569		F2	Al1	Cl4	119.569
Cl3	Al1	Cl4	120.862

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

using model chemistry: LSDA/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	0.649
2	F	-0.341
3	Cl	-0.154
4	Cl	-0.154

	x	y	z	Total
	0.000	0.000	-0.120	0.120
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: LSDA/6-31G**

States and conformations

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