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	hartrees
Energy at 0K	-2612.039884
Energy at 298.15K
HF Energy	-2611.463907
Nuclear repulsion energy	81.361605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3222	4.29
2	A₁	1421	1421	17.27
3	A₁	738	738	14.27
4	B₁	202	202	62.43
5	B₂	3371	3371	1.17
6	B₂	943	943	0.70

Atom	y (Å)	z (Å)
C1	0.000	-1.472
Br2	0.000	0.365
H3	0.945	-1.976
H4	-0.945	-1.976

	C1	Br2	H3	H4
C1		1.8374	1.0711	1.0711
Br2	1.8374		2.5246	2.5246
H3	1.0711	2.5246		1.8907
H4	1.0711	2.5246	1.8907

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.042		Br2	C1	H4	118.042
H3	C1	H4	123.916

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

using model chemistry: CCSD=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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