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	hartrees
Energy at 0K	-1262.830173
Energy at 298.15K	-1262.830922
Nuclear repulsion energy	242.772079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	874	840	137.00
2	A₁	433	417	7.31
3	A₁	147	142	6.38
4	B₁	231	222	57.14
5	B₂	630	606	211.77
6	B₂	197	190	23.65

Atom	y (Å)	z (Å)
Al1	0.000	0.348
F2	0.000	1.997
Cl3	1.813	-0.662
Cl4	-1.813	-0.662

	Al1	F2	Cl3	Cl4
Al1		1.6482	2.0753	2.0753
F2	1.6482		3.2176	3.2176
Cl3	2.0753	3.2176		3.6259
Cl4	2.0753	3.2176	3.6259

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.124		F2	Al1	Cl4	119.124
Cl3	Al1	Cl4	121.752

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

using model chemistry: B3PW91/cc-pVTZ

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	0.652
2	F	-0.308
3	Cl	-0.172
4	Cl	-0.172

	x	y	z	Total
	0.000	0.000	-0.448	0.448
CHELPG
AIM
ESP

<r²>	190.885
(<r²>)^1/2	13.816

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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