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	hartrees
Energy at 0K	-6106.664791
Energy at 298.15K	-6106.670507
HF Energy	-6106.664791
Nuclear repulsion energy	840.391310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	688	663	177.16
2	A₁	370	357	0.30
3	A₁	234	225	0.38
4	A₁	147	142	0.03
5	A₂	168	162	0.00
6	B₁	644	620	174.00
7	B₁	223	215	0.51
8	B₂	722	696	171.96
9	B₂	256	247	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.406
Cl2	0.000	1.460	1.433
Cl3	0.000	-1.460	1.433
Br4	1.599	0.000	-0.731
Br5	-1.599	0.000	-0.731

	C1	Cl2	Cl3	Br4	Br5
C1		1.7849	1.7849	1.9616	1.9616
Cl2	1.7849		2.9201	3.0608	3.0608
Cl3	1.7849	2.9201		3.0608	3.0608
Br4	1.9616	3.0608	3.0608		3.1971
Br5	1.9616	3.0608	3.0608	3.1971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.773	Cl2	C1	Br4	109.474
Cl2	C1	Br5	109.474	Cl3	C1	Br4	109.474
Cl3	C1	Br5	109.474	Br4	C1	Br5	109.159

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: TPSSh/TZVP

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	-0.055
2	Cl	0.015
3	Cl	0.015
4	Br	0.013
5	Br	0.013

	x	y	z	Total
	0.000	0.000	-0.162	0.162
CHELPG
AIM
ESP

<r²>	400.648
(<r²>)^1/2	20.016

All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)