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	hartrees
Energy at 0K	-6039.283537
Energy at 298.15K	-6039.289260
HF Energy	-6039.283537
Nuclear repulsion energy	831.270794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	835	737	176.02
2	A₁	398	352	0.04
3	A₁	248	219	1.19
4	A₁	160	142	0.04
5	A₂	174	154	0.00
6	B₁	844	746	170.36
7	B₁	238	211	2.25
8	B₂	829	732	168.03
9	B₂	272	240	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.337
Cl2	0.000	1.493	1.453
Cl3	0.000	-1.493	1.453
Br4	1.612	0.000	-0.735
Br5	-1.612	0.000	-0.735

	C1	Cl2	Cl3	Br4	Br5
C1		1.8638	1.8638	1.9356	1.9356
Cl2	1.8638		2.9854	3.1004	3.1004
Cl3	1.8638	2.9854		3.1004	3.1004
Br4	1.9356	3.1004	3.1004		3.2239
Br5	1.9356	3.1004	3.1004	3.2239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	106.428	Cl2	C1	Br4	109.360
Cl2	C1	Br5	109.360	Cl3	C1	Br4	109.360
Cl3	C1	Br5	109.360	Br4	C1	Br5	112.773

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: HSEh1PBE/STO-3G

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	-0.032
2	Cl	-0.094
3	Cl	-0.094
4	Br	0.110
5	Br	0.110

	x	y	z	Total
	0.000	0.000	-1.615	1.615
CHELPG
AIM
ESP

<r²>	406.922
(<r²>)^1/2	20.172

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)