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	hartrees
Energy at 0K	-2610.441567
Energy at 298.15K
HF Energy	-2610.353719
Nuclear repulsion energy	80.560478

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	3235	3076	4.30	109.10	0.11	0.20
2	A₁	1424	1354	23.59	1.24	0.47	0.64
3	A₁	700	666	19.55	9.80	0.17	0.29
4	B₁	113i	107i	89.68	0.77	0.75	0.86
5	B₂	3396	3229	0.95	55.84	0.75	0.86
6	B₂	956	910	1.87	2.47	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.489
Br2	0.000	0.369
H3	0.953	-1.989
H4	-0.953	-1.989

	C1	Br2	H3	H4
C1		1.8578	1.0762	1.0762
Br2	1.8578		2.5432	2.5432
H3	1.0762	2.5432		1.9059
H4	1.0762	2.5432	1.9059

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.689		Br2	C1	H4	117.689
H3	C1	H4	124.623

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

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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