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	hartrees
Energy at 0K	-897.901178
Energy at 298.15K	-897.902175
Nuclear repulsion energy	192.858504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	856	826	95.16
2	A₁	480	463	44.66
3	A₁	253	244	25.80
4	B₁	237	229	91.29
5	B₂	989	955	65.38
6	B₂	199	192	20.78

Atom	y (Å)	z (Å)
Al1	0.000	-0.434
Cl2	0.000	1.719
F3	1.404	-1.310
F4	-1.404	-1.310

	Al1	Cl2	F3	F4
Al1		2.1536	1.6553	1.6553
Cl2	2.1536		3.3395	3.3395
F3	1.6553	3.3395		2.8088
F4	1.6553	3.3395	2.8088

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	121.962		Cl2	Al1	F4	121.962
F3	Al1	F4	116.076

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

using model chemistry: B3LYP/3-21G

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	1.178
2	Cl	-0.412
3	F	-0.383
4	F	-0.383

	x	y	z	Total
	0.000	0.000	-0.596	0.596
CHELPG
AIM
ESP

<r²>	142.184
(<r²>)^1/2	11.924

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

using model chemistry: B3LYP/3-21G

States and conformations

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