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	hartrees
Energy at 0K	-454.929733
Energy at 298.15K
HF Energy	-454.502947
Nuclear repulsion energy	60.132864

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	3264	3264	4.76	112.88	0.10	0.19
2	A₁	1435	1435	19.16	0.73	0.57	0.73
3	A₁	747	747	17.58	6.43	0.15	0.26
4	B₁	144	144	68.48	0.01	0.75	0.86
5	B₂	3400	3400	1.91	48.24	0.75	0.86
6	B₂	957	957	1.24	2.16	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.466
Br2	0.000	0.364
H3	0.944	-1.967
H4	-0.944	-1.967

	C1	Br2	H3	H4
C1		1.8296	1.0683	1.0683
Br2	1.8296		2.5143	2.5143
H3	1.0683	2.5143		1.8872
H4	1.0683	2.5143	1.8872

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.961		Br2	C1	H4	117.961
H3	C1	H4	124.079

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

using model chemistry: MP2=FULL/cc-pVTZ-PP

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=FULL/cc-pVTZ-PP

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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