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	hartrees
Energy at 0K	-2612.141580
Energy at 298.15K
HF Energy	-2611.369424
Nuclear repulsion energy	81.535866

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	3245	3059	4.08	112.37	0.08	0.14
2	A₁	1430	1348	16.98	1.11	0.25	0.40
3	A₁	751	708	17.26	7.39	0.08	0.14
4	B₁	66i	62i	66.30	1.11	0.75	0.86
5	B₂	3402	3207	3.01	46.83	0.75	0.86
6	B₂	961	906	0.97	0.83	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.468
Br2	0.000	0.364
H3	0.946	-1.972
H4	-0.946	-1.972

	C1	Br2	H3	H4
C1		1.8326	1.0721	1.0721
Br2	1.8326		2.5210	2.5210
H3	1.0721	2.5210		1.8924
H4	1.0721	2.5210	1.8924

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.046		Br2	C1	H4	118.046
H3	C1	H4	123.909

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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