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	hartrees
Energy at 0K	-2613.509708
Energy at 298.15K
HF Energy	-2613.509708
Nuclear repulsion energy	81.136732

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	3186	3186	4.57	117.75	0.09	0.16
2	A₁	1394	1394	15.03	0.90	0.29	0.45
3	A₁	727	727	16.83	9.34	0.13	0.24
4	B₁	186	186	65.67	0.27	0.75	0.86
5	B₂	3339	3339	0.85	52.85	0.75	0.86
6	B₂	934	934	0.92	1.10	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.476
Br2	0.000	0.366
H3	0.950	-1.980
H4	-0.950	-1.980

	C1	Br2	H3	H4
C1		1.8423	1.0754	1.0754
Br2	1.8423		2.5312	2.5312
H3	1.0754	2.5312		1.9002
H4	1.0754	2.5312	1.9002

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.935		Br2	C1	H4	117.935
H3	C1	H4	124.130

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

using model chemistry: wB97X-D/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	-0.192
2	Br	0.015
3	H	0.088
4	H	0.088

	x	y	z	Total
	0.000	0.000	-1.001	1.001
CHELPG
AIM
ESP

<r²>	42.508
(<r²>)^1/2	6.520

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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