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	hartrees
Energy at 0K	-2613.002594
Energy at 298.15K
HF Energy	-2612.801654
Nuclear repulsion energy	80.519958

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	3203	3203	7.35	109.69	0.14	0.25
2	A₁	1418	1418	20.91	0.84	0.75	0.86
3	A₁	708	708	19.13	8.14	0.26	0.42
4	B₁	164i	164i	93.35	0.01	0.75	0.86
5	B₂	3361	3361	0.01	57.65	0.75	0.86
6	B₂	952	952	2.67	4.09	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.489
Br2	0.000	0.369
H3	0.952	-1.992
H4	-0.952	-1.992

	C1	Br2	H3	H4
C1		1.8585	1.0765	1.0765
Br2	1.8585		2.5460	2.5460
H3	1.0765	2.5460		1.9036
H4	1.0765	2.5460	1.9036

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.850		Br2	C1	H4	117.850
H3	C1	H4	124.301

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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=FULLultrafine/6-311G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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