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	hartrees
Energy at 0K	-6105.597807
Energy at 298.15K
HF Energy	-6105.340438
Nuclear repulsion energy	841.347158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	728	701	126.16
2	A₁	382	368	0.06
3	A₁	244	235	0.21
4	A₁	155	149	0.04
5	A₂	176	170	0.00
6	B₁	684	658	123.71
7	B₁	233	224	0.23
8	B₂	757	728	123.70
9	B₂	266	256	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.402
Cl2	0.000	1.458	1.430
Cl3	0.000	-1.458	1.430
Br4	1.598	0.000	-0.729
Br5	-1.598	0.000	-0.729

	C1	Cl2	Cl3	Br4	Br5
C1		1.7840	1.7840	1.9580	1.9580
Cl2	1.7840		2.9164	3.0566	3.0566
Cl3	1.7840	2.9164		3.0566	3.0566
Br4	1.9580	3.0566	3.0566		3.1958
Br5	1.9580	3.0566	3.0566	3.1958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.640	Cl2	C1	Br4	109.449
Cl2	C1	Br5	109.449	Cl3	C1	Br4	109.449
Cl3	C1	Br5	109.449	Br4	C1	Br5	109.393

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)