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	hartrees
Energy at 0K	-1262.862989
Energy at 298.15K	-1262.863737
Nuclear repulsion energy	242.962143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	881	838	164.73
2	A₁	438	417	9.15
3	A₁	150	143	8.13
4	B₁	227	216	67.13
5	B₂	636	606	239.90
6	B₂	198	188	26.49

Atom	y (Å)	z (Å)
Al1	0.000	0.352
F2	0.000	2.004
Cl3	1.805	-0.665
Cl4	-1.805	-0.665

	Al1	F2	Cl3	Cl4
Al1		1.6520	2.0722	2.0722
F2	1.6520		3.2224	3.2224
Cl3	2.0722	3.2224		3.6106
Cl4	2.0722	3.2224	3.6106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.400		F2	Al1	Cl4	119.400
Cl3	Al1	Cl4	121.199

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

using model chemistry: mPW1PW91/6-31+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
1	Al	0.803
2	F	-0.378
3	Cl	-0.212
4	Cl	-0.212

	x	y	z	Total
	0.000	0.000	-0.391	0.391
CHELPG
AIM
ESP

<r²>	190.936
(<r²>)^1/2	13.818

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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