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	hartrees
Energy at 0K	-2610.424171
Energy at 298.15K
HF Energy	-2610.337412
Nuclear repulsion energy	80.473548

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	3241	3241	4.65	105.34	0.12	0.21
2	A₁	1427	1427	26.18	2.20	0.68	0.81
3	A₁	701	701	19.44	8.58	0.23	0.37
4	B₁	229i	229i	74.97	0.55	0.75	0.86
5	B₂	3402	3402	0.14	56.10	0.75	0.86
6	B₂	946	946	1.26	4.09	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.491
Br2	0.000	0.369
H3	0.952	-1.991
H4	-0.952	-1.991

	C1	Br2	H3	H4
C1		1.8602	1.0755	1.0755
Br2	1.8602		2.5452	2.5452
H3	1.0755	2.5452		1.9043
H4	1.0755	2.5452	1.9043

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.715		Br2	C1	H4	117.715
H3	C1	H4	124.570

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

using model chemistry: B2PLYP=FULL/6-31G**

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: B2PLYP=FULL/6-31G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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