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	hartrees
Energy at 0K	-454.503416
Energy at 298.15K
HF Energy	-454.503416
Nuclear repulsion energy	59.255766

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	3305	3305	8.24	118.35	0.10	0.18
2	A₁	1486	1486	35.23	0.52	0.20	0.33
3	A₁	721	721	17.72	14.23	0.21	0.34
4	B₁	324i	324i	57.91	0.10	0.75	0.86
5	B₂	3466	3466	0.41	52.64	0.75	0.86
6	B₂	985	985	0.68	1.95	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.493
Br2	0.000	0.370
H3	0.945	-1.990
H4	-0.945	-1.990

	C1	Br2	H3	H4
C1		1.8627	1.0673	1.0673
Br2	1.8627		2.5413	2.5413
H3	1.0673	2.5413		1.8895
H4	1.0673	2.5413	1.8895

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.724		Br2	C1	H4	117.724
H3	C1	H4	124.552

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

using model chemistry: HF/cc-pVTZ-PP

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	-0.252
2	Br	-0.055
3	H	0.153
4	H	0.153

	x	y	z	Total
	0.000	0.000	-1.398	1.398
CHELPG
AIM
ESP

<r²>	41.395
(<r²>)^1/2	6.434

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

using model chemistry: HF/cc-pVTZ-PP

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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