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	hartrees
Energy at 0K	-2611.929746
Energy at 298.15K
HF Energy	-2611.459074
Nuclear repulsion energy	81.122467

	hartrees
Energy at 0K	-2611.947907
Energy at 298.15K
HF Energy	-2611.458938
Nuclear repulsion energy	81.239584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3228	3111
2	A₁	1389	1339
3	A₁	725	699
4	B₁	136	131
5	B₂	3328	3207
6	B₂	914	881

Atom	y (Å)	z (Å)
C1	0.000	-1.475
Br2	0.000	0.366
H3	0.945	-1.979
H4	-0.945	-1.979

	C1	Br2	H3	H4
C1		1.8405	1.0713	1.0713
Br2	1.8405		2.5280	2.5280
H3	1.0713	2.5280		1.8905
H4	1.0713	2.5280	1.8905

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

using model chemistry: CCSD(T)=FULL/aug-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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.076		Br2	C1	H4	118.076
H3	C1	H4	123.848

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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