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	hartrees
Energy at 0K	-902.000120
Energy at 298.15K	-902.001060
Nuclear repulsion energy	196.587761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	822	813	136.81
2	A₁	493	488	39.86
3	A₁	222	220	25.44
4	B₁	252	249	69.44
5	B₂	952	942	107.16
6	B₂	181	179	10.32

Atom	y (Å)	z (Å)
Al1	0.000	-0.426
Cl2	0.000	1.654
F3	1.421	-1.255
F4	-1.421	-1.255

	Al1	Cl2	F3	F4
Al1		2.0805	1.6449	1.6449
Cl2	2.0805		3.2378	3.2378
F3	1.6449	3.2378		2.8416
F4	1.6449	3.2378	2.8416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.261		Cl2	Al1	F4	120.261
F3	Al1	F4	119.479

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.614
2	Cl	-0.141
3	F	-0.236
4	F	-0.236

	x	y	z	Total
	0.000	0.000	0.180	0.180
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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