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	hartrees
Energy at 0K	-6104.492501
Energy at 298.15K	-6104.498147
HF Energy	-6104.492501
Nuclear repulsion energy	836.508148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	655	655	187.27
2	A₁	363	363	0.17
3	A₁	232	232	1.04
4	A₁	152	152	0.05
5	A₂	173	173	0.00
6	B₁	602	602	179.01
7	B₁	220	220	1.61
8	B₂	690	690	188.77
9	B₂	257	257	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.422
Cl2	0.000	1.468	1.439
Cl3	0.000	-1.468	1.439
Br4	1.604	0.000	-0.735
Br5	-1.604	0.000	-0.735

	C1	Cl2	Cl3	Br4	Br5
C1		1.7858	1.7858	1.9781	1.9781
Cl2	1.7858		2.9357	3.0750	3.0750
Cl3	1.7858	2.9357		3.0750	3.0750
Br4	1.9781	3.0750	3.0750		3.2086
Br5	1.9781	3.0750	3.0750	3.2086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	110.562	Cl2	C1	Br4	109.463
Cl2	C1	Br5	109.463	Cl3	C1	Br4	109.463
Cl3	C1	Br5	109.463	Br4	C1	Br5	108.393

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: B97D3/6-31G**

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	-0.251
2	Cl	0.101
3	Cl	0.101
4	Br	0.024
5	Br	0.024

	x	y	z	Total
	0.000	0.000	-0.123	0.123
CHELPG
AIM
ESP

<r²>	403.231
(<r²>)^1/2	20.081

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)