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	hartrees
Energy at 0K	-6102.555304
Energy at 298.15K	-6102.561246
HF Energy	-6101.662381
Nuclear repulsion energy	844.526816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	781	740	112.36
2	A₁	390	370	0.15
3	A₁	249	236	0.01
4	A₁	158	149	0.01
5	A₂	179	169	0.00
6	B₁	729	691	109.71
7	B₁	237	224	0.00
8	B₂	816	773	108.51
9	B₂	272	258	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.402
Cl2	0.000	1.453	1.426
Cl3	0.000	-1.453	1.426
Br4	1.590	0.000	-0.727
Br5	-1.590	0.000	-0.727

	C1	Cl2	Cl3	Br4	Br5
C1		1.7780	1.7780	1.9506	1.9506
Cl2	1.7780		2.9068	3.0461	3.0461
Cl3	1.7780	2.9068		3.0461	3.0461
Br4	1.9506	3.0461	3.0461		3.1807
Br5	1.9506	3.0461	3.0461	3.1807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.663	Cl2	C1	Br4	109.480
Cl2	C1	Br5	109.480	Cl3	C1	Br4	109.480
Cl3	C1	Br5	109.480	Br4	C1	Br5	109.242

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

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

using model chemistry: CCD/TZVP

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)