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	hartrees
Energy at 0K	-3056.860831
Energy at 298.15K	-3056.866103
HF Energy	-3056.474842
Nuclear repulsion energy	216.357947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3004	4.38
2	A'	1533	1466	0.03
3	A'	1314	1257	42.19
4	A'	717	686	76.38
5	A'	630	603	12.32
6	A'	230	220	0.35
7	A"	3216	3076	0.03
8	A"	1205	1153	0.01
9	A"	882	843	3.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.044	0.000
Br2	0.854	-0.716	0.000
Cl3	-1.794	0.922	0.000
H4	0.314	1.566	0.903
H5	0.314	1.566	-0.903

	C1	Br2	Cl3	H4	H5
C1		1.9564	1.7984	1.0888	1.0888
Br2	1.9564		3.1136	2.5131	2.5131
Cl3	1.7984	3.1136		2.3817	2.3817
H4	1.0888	2.5131	2.3817		1.8051
H5	1.0888	2.5131	2.3817	1.8051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.971	Br2	C1	H4	107.802
Br2	C1	H5	107.802	Cl3	C1	H4	108.661
Cl3	C1	H5	108.661	H4	C1	H5	111.982

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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