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	hartrees
Energy at 0K	-2613.407599
Energy at 298.15K
HF Energy	-2613.407599
Nuclear repulsion energy	80.798453

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	3183	3183	7.93	108.18	0.14	0.25
2	A₁	1406	1406	17.81	0.93	0.75	0.86
3	A₁	722	722	19.24	7.57	0.26	0.41
4	B₁	54i	54i	97.50	0.00	0.75	0.86
5	B₂	3338	3338	0.03	56.84	0.75	0.86
6	B₂	946	946	2.74	3.93	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.482
Br2	0.000	0.368
H3	0.953	-1.989
H4	-0.953	-1.989

	C1	Br2	H3	H4
C1		1.8503	1.0788	1.0788
Br2	1.8503		2.5416	2.5416
H3	1.0788	2.5416		1.9055
H4	1.0788	2.5416	1.9055

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.973		Br2	C1	H4	117.973
H3	C1	H4	124.054

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.579
2	Br	0.040
3	H	0.270
4	H	0.270

	x	y	z	Total
	0.000	0.000	-1.014	1.014
CHELPG
AIM
ESP

<r²>	42.704
(<r²>)^1/2	6.535

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

using model chemistry: wB97X-D/6-311G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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