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	hartrees
Energy at 0K	-6105.916725
Energy at 298.15K
HF Energy	-6105.412123
Nuclear repulsion energy	846.253375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	732	732	128.41
2	A₁	384	384	0.12
3	A₁	243	243	0.18
4	A₁	154	154	0.02
5	A₂	175	175	0.00
6	B₁	686	686	125.51
7	B₁	232	232	0.18
8	B₂	763	763	125.50
9	B₂	264	264	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.405
Cl2	0.000	1.445	1.421
Cl3	0.000	-1.445	1.421
Br4	1.591	0.000	-0.725
Br5	-1.591	0.000	-0.725

	C1	Cl2	Cl3	Br4	Br5
C1		1.7671	1.7671	1.9512	1.9512
Cl2	1.7671		2.8907	3.0376	3.0376
Cl3	1.7671	2.8907		3.0376	3.0376
Br4	1.9512	3.0376	3.0376		3.1819
Br5	1.9512	3.0376	3.0376	3.1819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.751	Cl2	C1	Br4	109.456
Cl2	C1	Br5	109.456	Cl3	C1	Br4	109.456
Cl3	C1	Br5	109.456	Br4	C1	Br5	109.250

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CBr2Cl2 (dibromodichloromethane)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)