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	hartrees
Energy at 0K	-64.459629
Energy at 298.15K	-64.460512
Nuclear repulsion energy	42.979270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	799	721	188.73
2	A₁	468	421	41.04
3	A₁	221	199	58.82
4	B₁	252	227	180.70
5	B₂	932	840	181.15
6	B₂	171	154	35.63

Atom	y (Å)	z (Å)
Al1	0.000	-0.108
Cl2	0.000	2.027
F3	1.433	-0.991
F4	-1.433	-0.991

	Al1	Cl2	F3	F4
Al1		2.1358	1.6828	1.6828
Cl2	2.1358		3.3410	3.3410
F3	1.6828	3.3410		2.8662
F4	1.6828	3.3410	2.8662

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	121.614		Cl2	Al1	F4	121.614
F3	Al1	F4	116.771

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

using model chemistry: HF/CEP-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	1.614
2	Cl	-0.320
3	F	-0.647
4	F	-0.647

	x	y	z	Total
	0.000	0.000	0.594	0.594
CHELPG
AIM
ESP

<r²>	94.495
(<r²>)^1/2	9.721

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

using model chemistry: HF/CEP-31G

States and conformations

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