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	hartrees
Energy at 0K	-2613.045230
Energy at 298.15K
HF Energy	-2612.899287
Nuclear repulsion energy	80.990828

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	3211	3081	4.49	125.17	0.07	0.14
2	A₁	1398	1341	18.22	1.12	0.20	0.34
3	A₁	716	686	16.58	10.42	0.09	0.17
4	B₁	134	129	63.69	1.04	0.75	0.86
5	B₂	3352	3216	1.33	52.00	0.75	0.86
6	B₂	932	895	0.81	0.75	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.480
Br2	0.000	0.367
H3	0.948	-1.981
H4	-0.948	-1.981

	C1	Br2	H3	H4
C1		1.8472	1.0723	1.0723
Br2	1.8472		2.5322	2.5322
H3	1.0723	2.5322		1.8962
H4	1.0723	2.5322	1.8962

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.849		Br2	C1	H4	117.849
H3	C1	H4	124.301

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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