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	hartrees
Energy at 0K	-2611.621888
Energy at 298.15K
HF Energy	-2611.356167
Nuclear repulsion energy	80.337549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3033	6.66
2	A₁	1423	1357	19.52
3	A₁	712	679	15.87
4	B₁	154i	147i	88.03
5	B₂	3333	3178	0.03
6	B₂	954	910	2.28

Atom	y (Å)	z (Å)
C1	0.000	-1.492
Br2	0.000	0.370
H3	0.954	-2.000
H4	-0.954	-2.000

	C1	Br2	H3	H4
C1		1.8619	1.0810	1.0810
Br2	1.8619		2.5546	2.5546
H3	1.0810	2.5546		1.9086
H4	1.0810	2.5546	1.9086

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.019		Br2	C1	H4	118.019
H3	C1	H4	123.961

All results from a given calculation for CH₂Br (bromomethyl radical)

using model chemistry: CCSD/6-311G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

	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 CH2Br (bromomethyl radical)

using model chemistry: CCSD/6-311G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

All results from a given calculation for CH₂Br (bromomethyl radical)