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	hartrees
Energy at 0K	-3530.634175
Energy at 298.15K
HF Energy	-3529.944036
Nuclear repulsion energy	398.710125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3313	3.03
2	A'	1282	1282	34.69
3	A'	808	808	102.27
4	A'	652	652	8.51
5	A'	351	351	0.17
6	A'	237	237	0.11
7	A"	1318	1318	20.48
8	A"	849	849	113.31
9	A"	229	229	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.663	-0.130	0.000
H2	-1.562	0.453	0.000
Br3	0.802	1.099	0.000
Cl4	-0.663	-1.122	1.446
Cl5	-0.663	-1.122	-1.446

	C1	H2	Br3	Cl4	Cl5
C1		1.0715	1.9127	1.7538	1.7538
H2	1.0715		2.4508	2.3197	2.3197
Br3	1.9127	2.4508		3.0287	3.0287
Cl4	1.7538	2.3197	3.0287		2.8929
Cl5	1.7538	2.3197	3.0287	2.8929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.022	H2	C1	Cl4	107.926
H2	C1	Cl5	107.926	Br3	C1	Cl4	111.316
Br3	C1	Cl5	111.316	Cl4	C1	Cl5	111.126

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

using model chemistry: CID/daug-cc-pVTZ

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: CID/daug-cc-pVTZ

States and conformations

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