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	hartrees
Energy at 0K	-6107.153977
Energy at 298.15K	-6107.159860
HF Energy	-6107.153977
Nuclear repulsion energy	845.968249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	743	712	163.96
2	A₁	390	373	0.24
3	A₁	247	236	0.23
4	A₁	157	150	0.02
5	A₂	178	171	0.00
6	B₁	691	663	160.09
7	B₁	235	225	0.28
8	B₂	779	747	160.18
9	B₂	268	257	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.403
Cl2	0.000	1.449	1.422
Cl3	0.000	-1.449	1.422
Br4	1.590	0.000	-0.725
Br5	-1.590	0.000	-0.725

	C1	Cl2	Cl3	Br4	Br5
C1		1.7715	1.7715	1.9494	1.9494
Cl2	1.7715		2.8976	3.0394	3.0394
Cl3	1.7715	2.8976		3.0394	3.0394
Br4	1.9494	3.0394	3.0394		3.1797
Br5	1.9494	3.0394	3.0394	3.1797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.742	Cl2	C1	Br4	109.451
Cl2	C1	Br5	109.451	Cl3	C1	Br4	109.451
Cl3	C1	Br5	109.451	Br4	C1	Br5	109.283

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.383
2	Cl	0.081
3	Cl	0.081
4	Br	0.111
5	Br	0.111

	x	y	z	Total
	0.000	0.000	-0.157	0.157
CHELPG
AIM
ESP

<r²>	395.580
(<r²>)^1/2	19.889

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)