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	hartrees
Energy at 0K	-2609.458686
Energy at 298.15K
HF Energy	-2609.053386
Nuclear repulsion energy	81.818511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3059	2.91
2	A₁	1438	1354	16.46
3	A₁	771	726	12.75
4	B₁	108	102	60.85
5	B₂	3393	3195	0.62
6	B₂	965	908	0.65

Atom	y (Å)	z (Å)
C1	0.000	-1.460
Br2	0.000	0.363
H3	0.943	-1.977
H4	-0.943	-1.977

	C1	Br2	H3	H4
C1		1.8231	1.0756	1.0756
Br2	1.8231		2.5232	2.5232
H3	1.0756	2.5232		1.8863
H4	1.0756	2.5232	1.8863

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.739		Br2	C1	H4	118.739
H3	C1	H4	122.523

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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