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	hartrees
Energy at 0K	-2612.153067
Energy at 298.15K
HF Energy	-2611.369631
Nuclear repulsion energy	80.960888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3194	3194
2	A₁	1406	1406
3	A₁	724	724
4	B₁	51	51
5	B₂	3345	3345
6	B₂	937	937

Atom	y (Å)	z (Å)
C1	0.000	-1.480
Br2	0.000	0.367
H3	0.950	-1.985
H4	-0.950	-1.985

	C1	Br2	H3	H4
C1		1.8468	1.0755	1.0755
Br2	1.8468		2.5361	2.5361
H3	1.0755	2.5361		1.8994
H4	1.0755	2.5361	1.8994

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.991		Br2	C1	H4	117.991
H3	C1	H4	124.018

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

using model chemistry: QCISD(T)=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: QCISD(T)=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)