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	hartrees
Energy at 0K	-902.571075
Energy at 298.15K	-902.572053
Nuclear repulsion energy	197.024041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	833	797	188.83
2	A₁	512	489	47.71
3	A₁	229	219	35.20
4	B₁	256	245	106.58
5	B₂	962	920	149.87
6	B₂	179	171	16.84

Atom	y (Å)	z (Å)
Al1	0.000	-0.417
Cl2	0.000	1.645
F3	1.422	-1.252
F4	-1.422	-1.252

	Al1	Cl2	F3	F4
Al1		2.0623	1.6493	1.6493
Cl2	2.0623		3.2274	3.2274
F3	1.6493	3.2274		2.8450
F4	1.6493	3.2274	2.8450

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.404		Cl2	Al1	F4	120.404
F3	Al1	F4	119.192

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

using model chemistry: mPW1PW91/6-311G**

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	1.228
2	Cl	-0.331
3	F	-0.449
4	F	-0.449

	x	y	z	Total
	0.000	0.000	0.245	0.245
CHELPG
AIM
ESP

<r²>	135.268
(<r²>)^1/2	11.630

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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