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	hartrees
Energy at 0K	-2611.935670
Energy at 298.15K
HF Energy	-2611.458987
Nuclear repulsion energy	81.395228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3252	4.71
2	A₁	1407	1407	17.96
3	A₁	737	737	13.47
4	B₁	219	219	61.53
5	B₂	3342	3342	0.96
6	B₂	922	922	0.70

Atom	y (Å)	z (Å)
C1	0.000	-1.471
Br2	0.000	0.365
H3	0.941	-1.979
H4	-0.941	-1.979

	C1	Br2	H3	H4
C1		1.8364	1.0697	1.0697
Br2	1.8364		2.5263	2.5263
H3	1.0697	2.5263		1.8828
H4	1.0697	2.5263	1.8828

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.351		Br2	C1	H4	118.351
H3	C1	H4	123.298

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

using model chemistry: CCSD=FULL/daug-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: CCSD=FULL/daug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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