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	hartrees
Energy at 0K	-2611.675964
Energy at 298.15K
HF Energy	-2611.372682
Nuclear repulsion energy	80.196866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3195	5.68
2	A₁	1398	1398	23.17
3	A₁	712	712	15.29
4	B₁	64i	64i	61.45
5	B₂	3349	3349	0.48
6	B₂	927	927	0.66

Atom	y (Å)	z (Å)
C1	0.000	-1.494
Br2	0.000	0.370
H3	0.962	-2.002
H4	-0.962	-2.002

	C1	Br2	H3	H4
C1		1.8641	1.0881	1.0881
Br2	1.8641		2.5597	2.5597
H3	1.0881	2.5597		1.9247
H4	1.0881	2.5597	1.9247

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.822		Br2	C1	H4	117.822
H3	C1	H4	124.355

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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