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	hartrees
Energy at 0K	-6105.597770
Energy at 298.15K	-6105.603617
HF Energy	-6105.340405
Nuclear repulsion energy	841.413947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	726	699	126.01
2	A₁	381	367	0.06
3	A₁	243	234	0.22
4	A₁	155	149	0.04
5	A₂	176	169	0.00
6	B₁	682	656	123.57
7	B₁	232	224	0.24
8	B₂	756	727	123.69
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		1.7842	1.7842	1.9576	1.9576
Cl2	1.7842		2.9165	3.0563	3.0563
Cl3	1.7842	2.9165		3.0563	3.0563
Br4	1.9576	3.0563	3.0563		3.1956
Br5	1.9576	3.0563	3.0563	3.1956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.634	Cl2	C1	Br4	109.444
Cl2	C1	Br5	109.444	Cl3	C1	Br4	109.444
Cl3	C1	Br5	109.444	Br4	C1	Br5	109.415

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)

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

States and conformations

All results from a given calculation for CBr₂Cl₂ (dibromodichloromethane)