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	hartrees
Energy at 0K	-3071.353439
Energy at 298.15K	-3071.358726
HF Energy	-3070.912328
Nuclear repulsion energy	217.081987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	2987	7.76
2	A'	1459	1383	0.23
3	A'	1269	1202	58.22
4	A'	772	731	84.84
5	A'	626	593	20.85
6	A'	232	219	0.24
7	A"	3237	3066	0.07
8	A"	1162	1101	0.02
9	A"	861	816	2.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.027	0.000
Br2	0.845	-0.726	0.000
Cl3	-1.778	0.949	0.000
H4	0.329	1.551	0.906
H5	0.329	1.551	-0.906

	C1	Br2	Cl3	H4	H5
C1		1.9458	1.7796	1.0973	1.0973
Br2	1.9458		3.1118	2.5038	2.5038
Cl3	1.7796	3.1118		2.3714	2.3714
H4	1.0973	2.5038	2.3714		1.8129
H5	1.0973	2.5038	2.3714	1.8129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.217	Br2	C1	H4	107.425
Br2	C1	H5	107.425	Cl3	C1	H4	108.705
Cl3	C1	H5	108.705	H4	C1	H5	111.397

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: CCSD/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 CH2BrCl (Methane, bromochloro-)

using model chemistry: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)