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	hartrees
Energy at 0K	-1260.535351
Energy at 298.15K	-1260.536212
Nuclear repulsion energy	243.809373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	957	864	168.41
2	A₁	454	410	14.27
3	A₁	162	146	11.56
4	B₁	247	223	92.72
5	B₂	651	588	278.96
6	B₂	220	198	30.27

Atom	y (Å)	z (Å)
Al1	0.000	0.357
F2	0.000	1.980
Cl3	1.808	-0.661
Cl4	-1.808	-0.661

	Al1	F2	Cl3	Cl4
Al1		1.6226	2.0745	2.0745
F2	1.6226		3.2000	3.2000
Cl3	2.0745	3.2000		3.6152
Cl4	2.0745	3.2000	3.6152

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.385		F2	Al1	Cl4	119.385
Cl3	Al1	Cl4	121.231

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

using model chemistry: HF/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	CHELPG
1	Al	1.135	1.191
2	F	-0.552	-0.459
3	Cl	-0.292	-0.366
4	Cl	-0.292	-0.366

	x	y	z	Total
	0.000	0.000	-0.048	0.048
CHELPG
AIM
ESP

<r²>	190.516
(<r²>)^1/2	13.803

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

using model chemistry: HF/6-31G**

States and conformations

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