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	hartrees
Energy at 0K	-2613.365564
Energy at 298.15K
HF Energy	-2613.365564
Nuclear repulsion energy	80.690279

	hartrees
Energy at 0K	-2613.365593
Energy at 298.15K
HF Energy	-2613.365593
Nuclear repulsion energy	80.688729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3058	7.51
2	A₁	1393	1341	18.12
3	A₁	711	685	18.86
4	B₁	5i	5i	95.58
5	B₂	3333	3209	0.04
6	B₂	940	905	3.14

Atom	y (Å)	z (Å)
C1	0.000	-1.485
Br2	0.000	0.368
H3	0.954	-1.990
H4	-0.954	-1.990

	C1	Br2	H3	H4
C1		1.8532	1.0792	1.0792
Br2	1.8532		2.5435	2.5435
H3	1.0792	2.5435		1.9080
H4	1.0792	2.5435	1.9080

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

using model chemistry: B3PW91/6-311G*

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	117.874		Br2	C1	H4	117.874
H3	C1	H4	124.253

Number	Element	Mulliken
1	C	-0.576
2	Br	0.038
3	H	0.269
4	H	0.269

	x	y	z	Total
	0.000	0.000	-1.015	1.015
CHELPG
AIM
ESP

<r²>	42.756
(<r²>)^1/2	6.539

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

using model chemistry: B3PW91/6-311G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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