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	hartrees
Energy at 0K	-2611.953616
Energy at 298.15K
HF Energy	-2611.459043
Nuclear repulsion energy	81.271448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3232	3232
2	A₁	1389	1389
3	A₁	728	728
4	B₁	201	201
5	B₂	3324	3324
6	B₂	910	910

Atom	y (Å)	z (Å)
C1	0.000	-1.474
Br2	0.000	0.366
H3	0.944	-1.980
H4	-0.944	-1.980

	C1	Br2	H3	H4
C1		1.8394	1.0712	1.0712
Br2	1.8394		2.5288	2.5288
H3	1.0712	2.5288		1.8876
H4	1.0712	2.5288	1.8876

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.228		Br2	C1	H4	118.228
H3	C1	H4	123.543

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/daug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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