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	hartrees
Energy at 0K	-902.528343
Energy at 298.15K	-902.529281
HF Energy	-902.528343
Nuclear repulsion energy	195.980919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	810	779	192.43
2	A₁	501	482	44.73
3	A₁	226	217	34.36
4	B₁	252	242	96.01
5	B₂	928	894	167.06
6	B₂	180	173	15.04

Atom	y (Å)	z (Å)
Al1	0.000	-0.422
Cl2	0.000	1.656
F3	1.424	-1.260
F4	-1.424	-1.260

	Al1	Cl2	F3	F4
Al1		2.0780	1.6525	1.6525
Cl2	2.0780		3.2453	3.2453
F3	1.6525	3.2453		2.8486
F4	1.6525	3.2453	2.8486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.472		Cl2	Al1	F4	120.472
F3	Al1	F4	119.056

All results from a given calculation for AlF₂Cl (Aluminum chloride difluoride)

using model chemistry: TPSSh/6-31+G**

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	0.965
2	Cl	-0.241
3	F	-0.362
4	F	-0.362

	x	y	z	Total
	0.000	0.000	0.356	0.356
CHELPG
AIM
ESP

<r²>	136.562
(<r²>)^1/2	11.686

All results from a given calculation for AlF2Cl (Aluminum chloride difluoride)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for AlF₂Cl (Aluminum chloride difluoride)