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	hartrees
Energy at 0K	-6102.198397
Energy at 298.15K	-6102.204281
HF Energy	-6102.198397
Nuclear repulsion energy	848.888336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	747	708	156.64
2	A₁	393	372	0.26
3	A₁	249	236	0.12
4	A₁	162	153	0.02
5	A₂	181	172	0.00
6	B₁	692	656	148.72
7	B₁	237	225	0.13
8	B₂	786	746	158.21
9	B₂	272	258	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.410
Cl2	0.000	1.451	1.419
Cl3	0.000	-1.451	1.419
Br4	1.579	0.000	-0.724
Br5	-1.579	0.000	-0.724

	C1	Cl2	Cl3	Br4	Br5
C1		1.7668	1.7668	1.9442	1.9442
Cl2	1.7668		2.9016	3.0315	3.0315
Cl3	1.7668	2.9016		3.0315	3.0315
Br4	1.9442	3.0315	3.0315		3.1573
Br5	1.9442	3.0315	3.0315	3.1573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	110.397	Cl2	C1	Br4	109.460
Cl2	C1	Br5	109.460	Cl3	C1	Br4	109.460
Cl3	C1	Br5	109.460	Br4	C1	Br5	108.576

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: mPW1PW91/6-31G*

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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Number	Element	Mulliken
1	C	-0.313
2	Cl	0.119
3	Cl	0.119
4	Br	0.037
5	Br	0.037

	x	y	z	Total
	0.000	0.000	-0.196	0.196
CHELPG
AIM
ESP

<r²>	392.963
(<r²>)^1/2	19.823

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)