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	hartrees
Energy at 0K	-3530.868846
Energy at 298.15K
HF Energy	-3529.956170
Nuclear repulsion energy	398.660022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3037	3.32
2	A'	1214	1153	29.24
3	A'	770	731	105.84
4	A'	632	600	10.04
5	A'	339	322	0.11
6	A'	228	217	0.04
7	A"	1250	1187	17.09
8	A"	806	765	118.34
9	A"	221	210	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.667	-0.125	0.000
H2	-1.570	0.470	0.000
Br3	0.807	1.094	0.000
Cl4	-0.667	-1.118	1.447
Cl5	-0.667	-1.118	-1.447

	C1	H2	Br3	Cl4	Cl5
C1		1.0812	1.9128	1.7554	1.7554
H2	1.0812		2.4573	2.3307	2.3307
Br3	1.9128	2.4573		3.0268	3.0268
Cl4	1.7554	2.3307	3.0268		2.8949
Cl5	1.7554	2.3307	3.0268	2.8949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.019	H2	C1	Cl4	108.138
H2	C1	Cl5	108.138	Br3	C1	Cl4	111.137
Br3	C1	Cl5	111.137	Cl4	C1	Cl5	111.091

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: MP2/aug-cc-pVQZ

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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)