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	hartrees
Energy at 0K	-2611.368136
Energy at 298.15K
HF Energy	-2611.368136
Nuclear repulsion energy	80.141696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3332	3332	7.12
2	A₁	1482	1482	34.87
3	A₁	725	725	18.81
4	B₁	492i	492i	60.23
5	B₂	3501	3501	1.34
6	B₂	984	984	0.37

Atom	y (Å)	z (Å)
C1	0.000	-1.499
Br2	0.000	0.371
H3	0.952	-1.997
H4	-0.952	-1.997

	C1	Br2	H3	H4
C1		1.8698	1.0740	1.0740
Br2	1.8698		2.5517	2.5517
H3	1.0740	2.5517		1.9032
H4	1.0740	2.5517	1.9032

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.614		Br2	C1	H4	117.614
H3	C1	H4	124.771

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

using model chemistry: ROHF/daug-cc-pVDZ

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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Number	Element	Mulliken
1	C	0.394
2	Br	0.377
3	H	-0.386
4	H	-0.386

	x	y	z	Total
	0.000	0.000	-1.506	1.506
CHELPG
AIM
ESP

<r²>	43.298
(<r²>)^1/2	6.580

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

using model chemistry: ROHF/daug-cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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