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	hartrees
Energy at 0K	-6106.798616
Energy at 298.15K	-6106.804512
HF Energy	-6106.798616
Nuclear repulsion energy	847.855377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	734	125.32
2	A₁	391	391	0.11
3	A₁	244	244	0.04
4	A₁	160	160	0.03
5	A₂	177	177	0.00
6	B₁	705	705	120.71
7	B₁	235	235	0.06
8	B₂	769	769	120.61
9	B₂	272	272	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.397
Cl2	0.000	1.447	1.419
Cl3	0.000	-1.447	1.419
Br4	1.586	0.000	-0.723
Br5	-1.586	0.000	-0.723

	C1	Cl2	Cl3	Br4	Br5
C1		1.7719	1.7719	1.9415	1.9415
Cl2	1.7719		2.8949	3.0328	3.0328
Cl3	1.7719	2.8949		3.0328	3.0328
Br4	1.9415	3.0328	3.0328		3.1721
Br5	1.9415	3.0328	3.0328	3.1721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.551	Cl2	C1	Br4	109.431
Cl2	C1	Br5	109.431	Cl3	C1	Br4	109.431
Cl3	C1	Br5	109.431	Br4	C1	Br5	109.550

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: M06-2X/aug-cc-pVDZ

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	-1.550
2	Cl	0.304
3	Cl	0.304
4	Br	0.471
5	Br	0.471

	x	y	z	Total
	0.000	0.000	-0.093	0.093
CHELPG
AIM
ESP

<r²>	394.712
(<r²>)^1/2	19.867

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)