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	hartrees
Energy at 0K	-5182.389015
Energy at 298.15K
HF Energy	-5182.389015
Nuclear repulsion energy	336.820348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3136	3119	0.67	88.80	0.28	0.44
2	A'	617	613	7.26	5.54	0.19	0.32
3	A'	398	396	19.52	13.11	0.10	0.19
4	A'	183	182	0.06	3.61	0.40	0.58
5	A"	1156	1149	45.81	1.50	0.75	0.86
6	A"	751	746	122.39	1.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.834	0.000
H2	-0.488	1.804	0.000
Br3	0.006	-0.097	1.618
Br4	0.006	-0.097	-1.618

	C1	H2	Br3	Br4
C1		1.0887	1.8671	1.8671
H2	1.0887		2.5453	2.5453
Br3	1.8671	2.5453		3.2361
Br4	1.8671	2.5453	3.2361

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.397		H2	C1	Br4	116.397
Br3	C1	Br4	120.131

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.354
2	H	0.148
3	Br	0.103
4	Br	0.103

	x	y	z	Total
	-0.399	0.575	0.000	0.699
CHELPG
AIM
ESP

	x	y	z
x	5.221	-0.169	0.000
y	-0.169	6.323	0.000
z	0.000	0.000	11.135

<r²>	217.377
(<r²>)^1/2	14.744

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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