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	hartrees
Energy at 0K	-1262.796180
Energy at 298.15K	-1262.796925
HF Energy	-1262.796180
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	885	840	135.70
2	A₁	433	411	11.43
3	A₁	154	146	8.85
4	B₁	228	216	68.91
5	B₂	623	591	240.69
6	B₂	207	196	23.46

Atom	y (Å)	z (Å)
Al1	0.000	0.358
F2	0.000	1.999
Cl3	1.808	-0.666
Cl4	-1.808	-0.666

	Al1	F2	Cl3	Cl4
Al1		1.6407	2.0783	2.0783
F2	1.6407		3.2205	3.2205
Cl3	2.0783	3.2205		3.6168
Cl4	2.0783	3.2205	3.6168

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Al1	Cl3	119.524		F2	Al1	Cl4	119.524
Cl3	Al1	Cl4	120.952

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

using model chemistry: wB97X-D/6-31G*

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	0.863
2	F	-0.434
3	Cl	-0.215
4	Cl	-0.215

	x	y	z	Total
	0.000	0.000	-0.046	0.046
CHELPG
AIM
ESP

<r²>	190.550
(<r²>)^1/2	13.804

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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