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	hartrees
Energy at 0K	-1262.786471
Energy at 298.15K	-1262.787210
Nuclear repulsion energy	242.966993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	888	854	147.07
2	A₁	436	420	9.88
3	A₁	149	144	8.75
4	B₁	226	218	69.03
5	B₂	633	609	242.93
6	B₂	194	187	25.47

Atom	y (Å)	z (Å)
Al1	0.000	0.352
F2	0.000	2.008
Cl3	1.803	-0.666
Cl4	-1.803	-0.666

	Al1	F2	Cl3	Cl4
Al1		1.6562	2.0705	2.0705
F2	1.6562		3.2252	3.2252
Cl3	2.0705	3.2252		3.6060
Cl4	2.0705	3.2252	3.6060

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.449		F2	Al1	Cl4	119.449
Cl3	Al1	Cl4	121.102

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

using model chemistry: B3PW91/6-311G*

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	1.070
2	F	-0.434
3	Cl	-0.318
4	Cl	-0.318

	x	y	z	Total
	0.000	0.000	-0.247	0.247
CHELPG
AIM
ESP

<r²>	191.040
(<r²>)^1/2	13.822

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

using model chemistry: B3PW91/6-311G*

States and conformations

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