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	hartrees
Energy at 0K	-2611.845350
Energy at 298.15K
HF Energy	-2611.458888
Nuclear repulsion energy	81.472724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3235	3235	4.44	128.02	0.07	0.13
2	A₁	1414	1414	18.66	1.27	0.27	0.42
3	A₁	745	745	17.43	7.44	0.06	0.12
4	B₁	158i	158i	63.77	0.91	0.75	0.86
5	B₂	3389	3389	2.59	47.80	0.75	0.86
6	B₂	946	946	0.81	0.71	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.469
Br2	0.000	0.365
H3	0.947	-1.974
H4	-0.947	-1.974

	C1	Br2	H3	H4
C1		1.8340	1.0732	1.0732
Br2	1.8340		2.5229	2.5229
H3	1.0732	2.5229		1.8946
H4	1.0732	2.5229	1.8946

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.031		Br2	C1	H4	118.031
H3	C1	H4	123.937

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

using model chemistry: MP2/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: MP2/daug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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