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	hartrees
Energy at 0K	-902.451637
Energy at 298.15K	-902.452600
HF Energy	-902.451637
Nuclear repulsion energy	196.717529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	817	778	201.52
2	A₁	505	481	50.04
3	A₁	232	221	37.25
4	B₁	256	244	104.97
5	B₂	939	894	179.73
6	B₂	182	174	16.15

Atom	y (Å)	z (Å)
Al1	0.000	-0.421
Cl2	0.000	1.653
F3	1.419	-1.257
F4	-1.419	-1.257

	Al1	Cl2	F3	F4
Al1		2.0732	1.6472	1.6472
Cl2	2.0732		3.2372	3.2372
F3	1.6472	3.2372		2.8382
F4	1.6472	3.2372	2.8382

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.514		Cl2	Al1	F4	120.514
F3	Al1	F4	118.972

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

using model chemistry: wB97X-D/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	1.026
2	Cl	-0.243
3	F	-0.391
4	F	-0.391

	x	y	z	Total
	0.000	0.000	0.397	0.397
CHELPG
AIM
ESP

<r²>	135.764
(<r²>)^1/2	11.652

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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