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	hartrees
Energy at 0K	-1262.836729
Energy at 298.15K	-1262.837437
Nuclear repulsion energy	241.259957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	883	878	105.59
2	A₁	415	413	7.77
3	A₁	148	147	5.50
4	B₁	225	224	44.56
5	B₂	604	601	186.31
6	B₂	200	199	18.15

Atom	y (Å)	z (Å)
Al1	0.000	0.355
F2	0.000	2.003
Cl3	1.827	-0.666
Cl4	-1.827	-0.666

	Al1	F2	Cl3	Cl4
Al1		1.6487	2.0925	2.0925
F2	1.6487		3.2345	3.2345
Cl3	2.0925	3.2345		3.6532
Cl4	2.0925	3.2345	3.6532

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.197		F2	Al1	Cl4	119.197
Cl3	Al1	Cl4	121.607

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

using model chemistry: BLYP/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Al	0.570
2	F	-0.223
3	Cl	-0.173
4	Cl	-0.173

	x	y	z	Total
	0.000	0.000	-0.231	0.231
CHELPG
AIM
ESP

<r²>	192.909
(<r²>)^1/2	13.889

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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