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	hartrees
Energy at 0K	-2600.282202
Energy at 298.15K
HF Energy	-2600.242990
Nuclear repulsion energy	78.476535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3232	3077	3.74	99.80	0.12	0.21
2	A₁	1427	1359	32.10	1.16	0.74	0.85
3	A₁	660	628	20.34	9.37	0.37	0.54
4	B₁	120	114	128.96	0.49	0.75	0.86
5	B₂	3396	3233	0.14	52.60	0.75	0.86
6	B₂	917	873	1.95	8.42	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.536
Br2	0.000	0.379
H3	0.954	-2.032
H4	-0.954	-2.032

	C1	Br2	H3	H4
C1		1.9156	1.0754	1.0754
Br2	1.9156		2.5937	2.5937
H3	1.0754	2.5937		1.9081
H4	1.0754	2.5937	1.9081

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.481		Br2	C1	H4	117.481
H3	C1	H4	125.038

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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