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	hartrees
Energy at 0K	-2611.664515
Energy at 298.15K
HF Energy	-2611.372658
Nuclear repulsion energy	80.114356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3072	5.70
2	A₁	1400	1349	23.53
3	A₁	710	684	15.44
4	B₁	104i	100i	61.27
5	B₂	3345	3222	0.47
6	B₂	929	895	0.64

Atom	y (Å)	z (Å)
C1	0.000	-1.495
Br2	0.000	0.371
H3	0.964	-2.003
H4	-0.964	-2.003

	C1	Br2	H3	H4
C1		1.8661	1.0890	1.0890
Br2	1.8661		2.5618	2.5618
H3	1.0890	2.5618		1.9271
H4	1.0890	2.5618	1.9271

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.775		Br2	C1	H4	117.775
H3	C1	H4	124.450

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

using model chemistry: CCSD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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