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	hartrees
Energy at 0K	-902.592907
Energy at 298.15K	-902.593808
Nuclear repulsion energy	194.452029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	794	791	163.07
2	A₁	481	479	45.24
3	A₁	222	221	29.19
4	B₁	245	244	86.03
5	B₂	921	917	125.43
6	B₂	175	174	14.55

Atom	y (Å)	z (Å)
Al1	0.000	-0.424
Cl2	0.000	1.668
F3	1.439	-1.270
F4	-1.439	-1.270

	Al1	Cl2	F3	F4
Al1		2.0922	1.6695	1.6695
Cl2	2.0922		3.2718	3.2718
F3	1.6695	3.2718		2.8785
F4	1.6695	3.2718	2.8785

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.448		Cl2	Al1	F4	120.448
F3	Al1	F4	119.104

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

using model chemistry: BLYP/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	1.128
2	Cl	-0.321
3	F	-0.404
4	F	-0.404

	x	y	z	Total
	0.000	0.000	0.137	0.137
CHELPG
AIM
ESP

<r²>	138.538
(<r²>)^1/2	11.770

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

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

States and conformations

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