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	hartrees
Energy at 0K	-1262.969845
Energy at 298.15K	-1262.970527
Nuclear repulsion energy	240.173601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	840	837	122.21
2	A₁	412	410	6.70
3	A₁	144	144	5.65
4	B₁	223	223	48.50
5	B₂	601	600	194.35
6	B₂	193	193	20.83

Atom	y (Å)	z (Å)
Al1	0.000	0.349
F2	0.000	2.016
Cl3	1.834	-0.667
Cl4	-1.834	-0.667

	Al1	F2	Cl3	Cl4
Al1		1.6670	2.0972	2.0972
F2	1.6670		3.2506	3.2506
Cl3	2.0972	3.2506		3.6685
Cl4	2.0972	3.2506	3.6685

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	118.999		F2	Al1	Cl4	118.999
Cl3	Al1	Cl4	122.001

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

using model chemistry: BLYP/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	0.639
2	F	-0.284
3	Cl	-0.178
4	Cl	-0.178

	x	y	z	Total
	0.000	0.000	-0.448	0.448
CHELPG
AIM
ESP

<r²>	194.778
(<r²>)^1/2	13.956

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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