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	hartrees
Energy at 0K	-1256.987376
Energy at 298.15K	-1256.988180
Nuclear repulsion energy	243.844845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	981	936	95.71
2	A₁	453	432	12.28
3	A₁	157	150	8.21
4	B₁	219	209	62.50
5	B₂	659	629	227.31
6	B₂	207	197	21.64

Atom	y (Å)	z (Å)
Al1	0.000	0.353
F2	0.000	1.987
Cl3	1.804	-0.661
Cl4	-1.804	-0.661

	Al1	F2	Cl3	Cl4
Al1		1.6342	2.0693	2.0693
F2	1.6342		3.2041	3.2041
Cl3	2.0693	3.2041		3.6079
Cl4	2.0693	3.2041	3.6079

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.336		F2	Al1	Cl4	119.336
Cl3	Al1	Cl4	121.328

All results from a given calculation for AlFCl₂ (Aluminum dichloride fluoride)

using model chemistry: B1B95/3-21G*

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	0.813
2	F	-0.286
3	Cl	-0.264
4	Cl	-0.264

	x	y	z	Total
	0.000	0.000	0.087	0.087
CHELPG
AIM
ESP

<r²>	189.580
(<r²>)^1/2	13.769

All results from a given calculation for AlFCl2 (Aluminum dichloride fluoride)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for AlFCl₂ (Aluminum dichloride fluoride)