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	hartrees
Energy at 0K	-2611.869320
Energy at 298.15K
HF Energy	-2611.459074
Nuclear repulsion energy	81.040627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3202	4.78
2	A₁	1406	1406	19.05
3	A₁	727	727	14.18
4	B₁	49i	49i	60.82
5	B₂	3349	3349	1.00
6	B₂	935	935	0.60

Atom	y (Å)	z (Å)
C1	0.000	-1.478
Br2	0.000	0.367
H3	0.949	-1.984
H4	-0.949	-1.984

	C1	Br2	H3	H4
C1		1.8447	1.0752	1.0752
Br2	1.8447		2.5347	2.5347
H3	1.0752	2.5347		1.8977
H4	1.0752	2.5347	1.8977

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.055		Br2	C1	H4	118.055
H3	C1	H4	123.890

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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