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	hartrees
Energy at 0K	-6109.605123
Energy at 298.15K	-6109.610734
HF Energy	-6109.605123
Nuclear repulsion energy	837.319684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	644	634	156.05
2	A₁	359	353	0.14
3	A₁	227	224	1.33
4	A₁	146	143	0.07
5	A₂	168	165	0.00
6	B₁	591	582	155.64
7	B₁	217	213	2.08
8	B₂	676	666	151.85
9	B₂	253	249	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.414
Cl2	0.000	1.458	1.435
Cl3	0.000	-1.458	1.435
Br4	1.610	0.000	-0.733
Br5	-1.610	0.000	-0.733

	C1	Cl2	Cl3	Br4	Br5
C1		1.7798	1.7798	1.9765	1.9765
Cl2	1.7798		2.9152	3.0687	3.0687
Cl3	1.7798	2.9152		3.0687	3.0687
Br4	1.9765	3.0687	3.0687		3.2196
Br5	1.9765	3.0687	3.0687	3.2196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.965	Cl2	C1	Br4	109.448
Cl2	C1	Br5	109.448	Cl3	C1	Br4	109.448
Cl3	C1	Br5	109.448	Br4	C1	Br5	109.067

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: B97D3/aug-cc-pVTZ

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	C	0.052
2	Cl	-0.131
3	Cl	-0.131
4	Br	0.105
5	Br	0.105

	x	y	z	Total
	0.000	0.000	0.014	0.014
CHELPG
AIM
ESP

<r²>	403.321
(<r²>)^1/2	20.083

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)