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	hartrees
Energy at 0K	-1262.368675
Energy at 298.15K	-1262.369365
Nuclear repulsion energy	241.179310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	847	841	122.09
2	A₁	420	417	6.55
3	A₁	143	142	5.56
4	B₁	223	221	48.55
5	B₂	613	609	193.48
6	B₂	190	189	21.00

Atom	y (Å)	z (Å)
Al1	0.000	0.353
F2	0.000	2.015
Cl3	1.821	-0.668
Cl4	-1.821	-0.668

	Al1	F2	Cl3	Cl4
Al1		1.6628	2.0878	2.0878
F2	1.6628		3.2432	3.2432
Cl3	2.0878	3.2432		3.6425
Cl4	2.0878	3.2432	3.6425

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.269		F2	Al1	Cl4	119.269
Cl3	Al1	Cl4	121.462

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.591
2	F	-0.273
3	Cl	-0.159
4	Cl	-0.159

	x	y	z	Total
	0.000	0.000	-0.438	0.438
CHELPG
AIM
ESP

<r²>	192.969
(<r²>)^1/2	13.891

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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