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	hartrees
Energy at 0K	-6104.836898
Energy at 298.15K	-6104.842584
HF Energy	-6104.836898
Nuclear repulsion energy	845.468257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	665	665	154.19
2	A₁	365	365	0.00
3	A₁	236	236	0.49
4	A₁	153	153	0.06
5	A₂	170	170	0.00
6	B₁	640	640	147.31
7	B₁	225	225	0.49
8	B₂	673	673	153.67
9	B₂	259	259	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.392
Cl2	0.000	1.460	1.428
Cl3	0.000	-1.460	1.428
Br4	1.583	0.000	-0.727
Br5	-1.583	0.000	-0.727

	C1	Cl2	Cl3	Br4	Br5
C1		1.7903	1.7903	1.9386	1.9386
Cl2	1.7903		2.9209	3.0465	3.0465
Cl3	1.7903	2.9209		3.0465	3.0465
Br4	1.9386	3.0465	3.0465		3.1659
Br5	1.9386	3.0465	3.0465	3.1659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.329	Cl2	C1	Br4	109.506
Cl2	C1	Br5	109.506	Cl3	C1	Br4	109.506
Cl3	C1	Br5	109.506	Br4	C1	Br5	109.474

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: B97D3/6-31G(2df,p)

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	-0.195
2	Cl	-0.029
3	Cl	-0.029
4	Br	0.126
5	Br	0.126

	x	y	z	Total
	0.000	0.000	-0.248	0.248
CHELPG
AIM
ESP

<r²>	395.509
(<r²>)^1/2	19.887

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)