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	hartrees
Energy at 0K	-1262.893741
Energy at 298.15K	-1262.894471
Nuclear repulsion energy	241.850111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	869	838	162.41
2	A₁	428	413	8.91
3	A₁	150	145	7.88
4	B₁	226	218	64.04
5	B₂	624	601	235.44
6	B₂	199	192	25.86

Atom	y (Å)	z (Å)
Al1	0.000	0.351
F2	0.000	2.009
Cl3	1.817	-0.666
Cl4	-1.817	-0.666

	Al1	F2	Cl3	Cl4
Al1		1.6575	2.0822	2.0822
F2	1.6575		3.2333	3.2333
Cl3	2.0822	3.2333		3.6340
Cl4	2.0822	3.2333	3.6340

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.235		F2	Al1	Cl4	119.235
Cl3	Al1	Cl4	121.531

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

using model chemistry: B3LYP/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	ESP
1	Al	0.827	1.161
2	F	-0.377	-0.463
3	Cl	-0.225	-0.349
4	Cl	-0.225	-0.349

	x	y	z	Total
	0.000	0.000	-0.413	0.413
CHELPG
AIM
ESP	0.000	0.000	-0.277	0.277

<r²>	192.785
(<r²>)^1/2	13.885

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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