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	hartrees
Energy at 0K	-3071.322198
Energy at 298.15K	-3071.327499
HF Energy	-3070.912430
Nuclear repulsion energy	217.783630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3011	6.76
2	A'	1457	1388	0.12
3	A'	1268	1208	54.82
4	A'	782	745	88.59
5	A'	636	606	21.76
6	A'	234	223	0.22
7	A"	3252	3098	0.01
8	A"	1166	1110	0.02
9	A"	865	824	2.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.023	0.000
Br2	0.842	-0.724	0.000
Cl3	-1.772	0.947	0.000
H4	0.330	1.546	0.906
H5	0.330	1.546	-0.906

	C1	Br2	Cl3	H4	H5
C1		1.9388	1.7736	1.0968	1.0968
Br2	1.9388		3.1018	2.4966	2.4966
Cl3	1.7736	3.1018		2.3659	2.3659
H4	1.0968	2.4966	2.3659		1.8118
H5	1.0968	2.4966	2.3659	1.8118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.269	Br2	C1	H4	107.391
Br2	C1	H5	107.391	Cl3	C1	H4	108.725
Cl3	C1	H5	108.725	H4	C1	H5	111.372

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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