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	hartrees
Energy at 0K	-2612.039769
Energy at 298.15K
HF Energy	-2611.463726
Nuclear repulsion energy	81.898624

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	3248	3106	4.10	126.48	0.07	0.13
2	A₁	1418	1357	16.69	1.20	0.30	0.46
3	A₁	758	725	16.94	7.07	0.06	0.11
4	B₁	164	157	64.76	0.99	0.75	0.86
5	B₂	3404	3256	2.92	47.27	0.75	0.86
6	B₂	944	903	0.91	0.69	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.461
Br2	0.000	0.363
H3	0.943	-1.966
H4	-0.943	-1.966

	C1	Br2	H3	H4
C1		1.8236	1.0697	1.0697
Br2	1.8236		2.5123	2.5123
H3	1.0697	2.5123		1.8859
H4	1.0697	2.5123	1.8859

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.171		Br2	C1	H4	118.171
H3	C1	H4	123.658

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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: MP2=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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