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	hartrees
Energy at 0K	-3528.311543
Energy at 298.15K
HF Energy	-3527.471038
Nuclear repulsion energy	399.455039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3047	1.35
2	A'	1253	1180	27.70
3	A'	798	751	94.43
4	A'	644	607	5.31
5	A'	344	324	0.18
6	A'	234	220	0.26
7	A"	1282	1208	19.43
8	A"	822	774	110.00
9	A"	228	215	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.659	-0.118	0.000
H2	-1.574	0.459	0.000
Br3	0.798	1.092	0.000
Cl4	-0.659	-1.117	1.452
Cl5	-0.659	-1.117	-1.452

	C1	H2	Br3	Cl4	Cl5
C1		1.0813	1.8933	1.7627	1.7627
H2	1.0813		2.4548	2.3298	2.3298
Br3	1.8933	2.4548		3.0179	3.0179
Cl4	1.7627	2.3298	3.0179		2.9046
Cl5	1.7627	2.3298	3.0179	2.9046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.104	H2	C1	Cl4	107.579
H2	C1	Cl5	107.579	Br3	C1	Cl4	111.221
Br3	C1	Cl5	111.221	Cl4	C1	Cl5	110.953

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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