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	hartrees
Energy at 0K	-3071.392069
Energy at 298.15K	-3071.397355
HF Energy	-3070.921005
Nuclear repulsion energy	217.139786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3027	4.37
2	A'	1444	1392	0.05
3	A'	1262	1216	53.11
4	A'	759	731	86.41
5	A'	627	604	20.01
6	A'	232	223	0.22
7	A"	3227	3109	0.47
8	A"	1161	1118	0.01
9	A"	862	830	2.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.031	0.000
Br2	0.848	-0.720	0.000
Cl3	-1.783	0.935	0.000
H4	0.319	1.552	0.909
H5	0.319	1.552	-0.909

	C1	Br2	Cl3	H4	H5
C1		1.9455	1.7856	1.0949	1.0949
Br2	1.9455		3.1078	2.5032	2.5032
Cl3	1.7856	3.1078		2.3715	2.3715
H4	1.0949	2.5032	2.3715		1.8183
H5	1.0949	2.5032	2.3715	1.8183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.735	Br2	C1	H4	107.514
Br2	C1	H5	107.514	Cl3	C1	H4	108.438
Cl3	C1	H5	108.438	H4	C1	H5	112.266

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

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

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

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