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	hartrees
Energy at 0K	-2610.955349
Energy at 298.15K
HF Energy	-2610.955349
Nuclear repulsion energy	80.815535

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	3214	3214	4.78	107.95	0.12	0.21
2	A₁	1410	1410	20.24	2.28	0.67	0.80
3	A₁	717	717	19.67	8.11	0.22	0.36
4	B₁	99i	99i	80.77	0.55	0.75	0.86
5	B₂	3373	3373	0.16	57.86	0.75	0.86
6	B₂	941	941	1.42	3.87	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.482
Br2	0.000	0.368
H3	0.955	-1.986
H4	-0.955	-1.986

	C1	Br2	H3	H4
C1		1.8501	1.0790	1.0790
Br2	1.8501		2.5394	2.5394
H3	1.0790	2.5394		1.9092
H4	1.0790	2.5394	1.9092

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.790		Br2	C1	H4	117.790
H3	C1	H4	124.419

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

using model chemistry: wB97X-D/6-31G**

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	-0.286
2	Br	-0.064
3	H	0.175
4	H	0.175

	x	y	z	Total
	0.000	0.000	-1.074	1.074
CHELPG
AIM
ESP

<r²>	42.428
(<r²>)^1/2	6.514

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

using model chemistry: wB97X-D/6-31G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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