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	hartrees
Energy at 0K	-902.365305
Energy at 298.15K	-902.366268
Nuclear repulsion energy	196.447834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	818	786	196.68
2	A₁	505	485	45.35
3	A₁	230	221	35.32
4	B₁	257	247	98.23
5	B₂	937	900	171.84
6	B₂	183	175	15.42

Atom	y (Å)	z (Å)
Al1	0.000	-0.420
Cl2	0.000	1.652
F3	1.424	-1.257
F4	-1.424	-1.257

	Al1	Cl2	F3	F4
Al1		2.0715	1.6522	1.6522
Cl2	2.0715		3.2386	3.2386
F3	1.6522	3.2386		2.8490
F4	1.6522	3.2386	2.8490

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.436		Cl2	Al1	F4	120.436
F3	Al1	F4	119.128

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

using model chemistry: B3PW91/6-31+G**

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	0.991
2	Cl	-0.245
3	F	-0.373
4	F	-0.373

	x	y	z	Total
	0.000	0.000	0.402	0.402
CHELPG
AIM
ESP

<r²>	136.003
(<r²>)^1/2	11.662

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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