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	hartrees
Energy at 0K	-2611.639579
Energy at 298.15K
HF Energy	-2611.373327
Nuclear repulsion energy	80.528893

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	3226	3226	5.09	131.08	0.07	0.14
2	A₁	1416	1416	22.76	1.25	0.25	0.40
3	A₁	728	728	18.19	8.59	0.08	0.15
4	B₁	177i	177i	63.21	0.58	0.75	0.86
5	B₂	3390	3390	1.67	50.10	0.75	0.86
6	B₂	942	942	0.73	0.95	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.487
Br2	0.000	0.369
H3	0.960	-1.994
H4	-0.960	-1.994

	C1	Br2	H3	H4
C1		1.8559	1.0856	1.0856
Br2	1.8559		2.5502	2.5502
H3	1.0856	2.5502		1.9202
H4	1.0856	2.5502	1.9202

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.822		Br2	C1	H4	117.822
H3	C1	H4	124.356

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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