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	hartrees
Energy at 0K	-5158.278386
Energy at 298.15K
HF Energy	-5158.278386
Nuclear repulsion energy	327.541990

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
A'	3413	3096	1.36
A'	628	570	25.12
A'	497	451	18.46
A'	183	166	0.11
A"	1251	1135	106.42
A"	789	716	90.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.860	0.000
H2	-0.500	1.801	0.000
Br3	0.007	-0.099	1.666
Br4	0.007	-0.099	-1.666

	C1	H2	Br3	Br4
C1		1.0684	1.9223	1.9223
H2	1.0684		2.5772	2.5772
Br3	1.9223	2.5772		3.3315
Br4	1.9223	2.5772	3.3315

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.067		H2	C1	Br4	116.067
Br3	C1	Br4	120.121

All results from a given calculation for CHBr₂ (dibromomethyl radical)

using model chemistry: ROHF/3-21G

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	-0.653
2	H	0.308
3	Br	0.172
4	Br	0.172

	x	y	z	Total
	-0.615	0.974	0.000	1.152
CHELPG
AIM
ESP

<r²>	229.361
(<r²>)^1/2	15.145

All results from a given calculation for CHBr2 (dibromomethyl radical)

using model chemistry: ROHF/3-21G

States and conformations

All results from a given calculation for CHBr₂ (dibromomethyl radical)