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	hartrees
Energy at 0K	-6107.145714
Energy at 298.15K	-6107.151589
HF Energy	-6107.145714
Nuclear repulsion energy	846.681624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	737	703	169.80
2	A₁	391	373	0.08
3	A₁	249	238	0.42
4	A₁	157	149	0.01
5	A₂	180	172	0.00
6	B₁	688	657	156.54
7	B₁	236	225	0.47
8	B₂	769	734	173.94
9	B₂	271	259	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.404
Cl2	0.000	1.446	1.421
Cl3	0.000	-1.446	1.421
Br4	1.589	0.000	-0.725
Br5	-1.589	0.000	-0.725

	C1	Cl2	Cl3	Br4	Br5
C1		1.7681	1.7681	1.9491	1.9491
Cl2	1.7681		2.8927	3.0367	3.0367
Cl3	1.7681	2.8927		3.0367	3.0367
Br4	1.9491	3.0367	3.0367		3.1777
Br5	1.9491	3.0367	3.0367	3.1777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.773	Cl2	C1	Br4	109.461
Cl2	C1	Br5	109.461	Cl3	C1	Br4	109.461
Cl3	C1	Br5	109.461	Br4	C1	Br5	109.207

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: mPW1PW91/6-311G*

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	-0.491
2	Cl	0.107
3	Cl	0.107
4	Br	0.139
5	Br	0.139

	x	y	z	Total
	0.000	0.000	-0.231	0.231
CHELPG
AIM
ESP

<r²>	395.650
(<r²>)^1/2	19.891

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)