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	hartrees
Energy at 0K
Energy at 298.15K	0.059022
HF Energy	0.059022
Nuclear repulsion energy	31.423640

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.495	0.000
Br2	0.000	-0.371	0.000
H3	-0.001	2.004	0.950
H4	-0.001	2.004	-0.950

	C1	Br2	H3	H4
C1		1.8656	1.0775	1.0775
Br2	1.8656		2.5575	2.5575
H3	1.0775	2.5575		1.8994
H4	1.0775	2.5575	1.8994

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.191		Br2	C1	H4	118.191
H3	C1	H4	123.617

	hartrees
Energy at 0K
Energy at 298.15K	0.133460
HF Energy	0.133460
Nuclear repulsion energy	31.295265

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

using model chemistry: PM3

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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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	3170	3087	0.08	178.49	0.75	0.86
2	A₁	1295	1262	37.95	374.48	0.26	0.41
3	A₁	583	568	128.70	249.96	0.32	0.49
4	B₁	1192	1161	29.62	169.58	0.75	0.86
5	B₂	3188	3105	1.57	52.55	0.75	0.86
6	B₂	698	679	13.41	20.61	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.508
Br2	0.000	0.378
H3	0.909	-2.092
H4	-0.909	-2.092

	C1	Br2	H3	H4
C1		1.8856	1.0807	1.0807
Br2	1.8856		2.6318	2.6318
H3	1.0807	2.6318		1.8184
H4	1.0807	2.6318	1.8184

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

using model chemistry: PM3

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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