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	hartrees
Energy at 0K	-6106.908342
Energy at 298.15K	-6106.914095
HF Energy	-6106.908342
Nuclear repulsion energy	841.628544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	699	699	140.15
2	A₁	375	375	0.16
3	A₁	237	237	0.47
4	A₁	151	151	0.03
5	A₂	172	172	0.00
6	B₁	647	647	138.42
7	B₁	226	226	0.62
8	B₂	733	733	136.21
9	B₂	261	261	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.409
Cl2	0.000	1.451	1.428
Cl3	0.000	-1.451	1.428
Br4	1.601	0.000	-0.729
Br5	-1.601	0.000	-0.729

	C1	Cl2	Cl3	Br4	Br5
C1		1.7726	1.7726	1.9648	1.9648
Cl2	1.7726		2.9013	3.0532	3.0532
Cl3	1.7726	2.9013		3.0532	3.0532
Br4	1.9648	3.0532	3.0532		3.2029
Br5	1.9648	3.0532	3.0532	3.2029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.841	Cl2	C1	Br4	109.449
Cl2	C1	Br5	109.449	Cl3	C1	Br4	109.449
Cl3	C1	Br5	109.449	Br4	C1	Br5	109.190

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: B3LYPultrafine/Def2TZVPP

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	0.064
2	Cl	-0.021
3	Cl	-0.021
4	Br	-0.011
5	Br	-0.011

	x	y	z	Total
	0.000	0.000	0.001	0.001
CHELPG
AIM
ESP

<r²>	399.816
(<r²>)^1/2	19.995

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)