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	hartrees
Energy at 0K	-2610.417131
Energy at 298.15K	-2610.420956
HF Energy	-2610.417131
Nuclear repulsion energy	81.780951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3102	3069	1.36
2	A'	1315	1301	7.15
3	A'	747	738	12.81
4	A'	279	276	81.16
5	A"	3256	3221	2.75
6	A"	900	890	1.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.460	0.000
Br2	0.000	-0.363	0.000
H3	-0.001	1.966	0.960
H4	-0.001	1.966	-0.960

	C1	Br2	H3	H4
C1		1.8231	1.0857	1.0857
Br2	1.8231		2.5195	2.5195
H3	1.0857	2.5195		1.9210
H4	1.0857	2.5195	1.9210

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.785		Br2	C1	H4	117.785
H3	C1	H4	124.429

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

	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	-0.346
2	Br	0.044
3	H	0.151
4	H	0.151

	x	y	z	Total
	-0.002	0.727	0.000	0.727
CHELPG
AIM
ESP

	x	y	z
x	3.117	-0.000	0.000
y	-0.000	6.327	0.000
z	0.000	0.000	3.603

<r²>	42.192
(<r²>)^1/2	6.496

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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