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	hartrees
Energy at 0K	-6105.790354
Energy at 298.15K	-6105.796227
HF Energy	-6105.790354
Nuclear repulsion energy	846.483909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	736	706	170.42
2	A₁	390	375	0.07
3	A₁	249	239	0.45
4	A₁	156	150	0.02
5	A₂	180	172	0.00
6	B₁	686	658	157.18
7	B₁	235	226	0.50
8	B₂	768	737	174.77
9	B₂	271	260	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.405
Cl2	0.000	1.446	1.421
Cl3	0.000	-1.446	1.421
Br4	1.590	0.000	-0.725
Br5	-1.590	0.000	-0.725

	C1	Cl2	Cl3	Br4	Br5
C1		1.7677	1.7677	1.9501	1.9501
Cl2	1.7677		2.8922	3.0372	3.0372
Cl3	1.7677	2.8922		3.0372	3.0372
Br4	1.9501	3.0372	3.0372		3.1793
Br5	1.9501	3.0372	3.0372	3.1793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.781	Cl2	C1	Br4	109.460
Cl2	C1	Br5	109.460	Cl3	C1	Br4	109.460
Cl3	C1	Br5	109.460	Br4	C1	Br5	109.207

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: HSEh1PBE/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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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	C	-0.492
2	Cl	0.107
3	Cl	0.107
4	Br	0.139
5	Br	0.139

	x	y	z	Total
	0.000	0.000	-0.234	0.234
CHELPG
AIM
ESP

<r²>	395.947
(<r²>)^1/2	19.898

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)