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	hartrees
Energy at 0K	-2611.814760
Energy at 298.15K
HF Energy	-2611.412756
Nuclear repulsion energy	81.203673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3275	4.49
2	A₁	1453	1453	21.48
3	A₁	743	743	16.00
4	B₁	45	45	65.12
5	B₂	3429	3429	1.08
6	B₂	965	965	0.88

Atom	y (Å)	z (Å)
C1	0.000	-1.476
Br2	0.000	0.366
H3	0.944	-1.978
H4	-0.944	-1.978

	C1	Br2	H3	H4
C1		1.8421	1.0692	1.0692
Br2	1.8421		2.5274	2.5274
H3	1.0692	2.5274		1.8876
H4	1.0692	2.5274	1.8876

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.031		Br2	C1	H4	118.031
H3	C1	H4	123.939

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

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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