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	hartrees
Energy at 0K	-2613.495918
Energy at 298.15K
HF Energy	-2613.495918
Nuclear repulsion energy	80.632137

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	3169	3070	3.97	119.68	0.09	0.17
2	A₁	1383	1339	17.72	0.85	0.29	0.45
3	A₁	698	676	16.86	11.12	0.15	0.26
4	B₁	156	151	64.45	0.30	0.75	0.86
5	B₂	3324	3220	0.77	56.04	0.75	0.86
6	B₂	927	898	0.93	1.16	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.488
Br2	0.000	0.369
H3	0.951	-1.988
H4	-0.951	-1.988

	C1	Br2	H3	H4
C1		1.8562	1.0747	1.0747
Br2	1.8562		2.5410	2.5410
H3	1.0747	2.5410		1.9027
H4	1.0747	2.5410	1.9027

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.723		Br2	C1	H4	117.723
H3	C1	H4	124.554

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.288
2	Br	0.039
3	H	0.125
4	H	0.125

	x	y	z	Total
	0.000	0.000	-0.967	0.967
CHELPG
AIM
ESP

<r²>	42.981
(<r²>)^1/2	6.556

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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