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	hartrees
Energy at 0K	-5187.164854
Energy at 298.15K
HF Energy	-5187.164854
Nuclear repulsion energy	338.949841

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'	3245	3104	1.23	88.11	0.21	0.35
2	A'	628	601	4.45	6.59	0.05	0.10
3	A'	370	354	25.38	5.94	0.11	0.20
4	A'	188	180	0.20	2.27	0.38	0.55
5	A"	1195	1143	61.61	0.17	0.75	0.86
6	A"	803	768	110.10	0.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.819	0.000
H2	-0.405	1.816	0.000
Br3	0.005	-0.096	1.610
Br4	0.005	-0.096	-1.610

	C1	H2	Br3	Br4
C1		1.0775	1.8518	1.8518
H2	1.0775		2.5326	2.5326
Br3	1.8518	2.5326		3.2194
Br4	1.8518	2.5326	3.2194

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.200		H2	C1	Br4	117.200
Br3	C1	Br4	120.751

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

using model chemistry: wB97X-D/aug-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	-0.655
2	H	0.295
3	Br	0.180
4	Br	0.180

	x	y	z	Total
	-0.345	0.677	0.000	0.760
CHELPG
AIM
ESP

	x	y	z
x	6.493	-0.045	0.000
y	-0.045	7.309	0.000
z	0.000	0.000	11.623

<r²>	215.624
(<r²>)^1/2	14.684

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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