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	hartrees
Energy at 0K	-899.786133
Energy at 298.15K	-899.787060
Nuclear repulsion energy	197.566994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	833	820	167.39
2	A₁	509	500	41.54
3	A₁	219	215	30.58
4	B₁	245	241	86.66
5	B₂	964	949	126.13
6	B₂	171	169	13.90

Atom	y (Å)	z (Å)
Al1	0.000	-0.415
Cl2	0.000	1.639
F3	1.420	-1.248
F4	-1.420	-1.248

	Al1	Cl2	F3	F4
Al1		2.0545	1.6462	1.6462
Cl2	2.0545		3.2173	3.2173
F3	1.6462	3.2173		2.8403
F4	1.6462	3.2173	2.8403

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Al1	F3	120.379		Cl2	Al1	F4	120.379
F3	Al1	F4	119.242

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

using model chemistry: LSDA/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	1.056
2	Cl	-0.287
3	F	-0.384
4	F	-0.384

	x	y	z	Total
	0.000	0.000	0.242	0.242
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G*

States and conformations

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