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	hartrees
Energy at 0K	-6077.460350
Energy at 298.15K	-6077.466160
HF Energy	-6077.460350
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	734	146.87
2	A₁	363	363	0.02
3	A₁	241	241	0.20
4	A₁	156	156	0.05
5	A₂	173	173	0.00
6	B₁	739	739	135.34
7	B₁	230	230	0.54
8	B₂	714	714	151.97
9	B₂	264	264	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.353
Cl2	0.000	1.492	1.457
Cl3	0.000	-1.492	1.457
Br4	1.621	0.000	-0.738
Br5	-1.621	0.000	-0.738

	C1	Cl2	Cl3	Br4	Br5
C1		1.8559	1.8559	1.9546	1.9546
Cl2	1.8559		2.9837	3.1104	3.1104
Cl3	1.8559	2.9837		3.1104	3.1104
Br4	1.9546	3.1104	3.1104		3.2429
Br5	1.9546	3.1104	3.1104	3.2429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	106.995	Cl2	C1	Br4	109.400
Cl2	C1	Br5	109.400	Cl3	C1	Br4	109.400
Cl3	C1	Br5	109.400	Br4	C1	Br5	112.110

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: wB97X-D/3-21G

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	-0.886
2	Cl	0.158
3	Cl	0.158
4	Br	0.284
5	Br	0.284

	x	y	z	Total
	0.000	0.000	-1.208	1.208
CHELPG
AIM
ESP

<r²>	412.673
(<r²>)^1/2	20.314

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)