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	hartrees
Energy at 0K	-5162.509035
Energy at 298.15K
HF Energy	-5162.509035
Nuclear repulsion energy	335.789128

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'	3228	3105	0.99	94.67	0.29	0.45
2	A'	622	598	7.70	6.27	0.26	0.41
3	A'	352	339	41.07	9.25	0.11	0.20
4	A'	181	174	0.31	3.57	0.55	0.71
5	A"	1207	1162	55.46	3.24	0.75	0.86
6	A"	783	753	121.02	1.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.840	0.000
H2	-0.430	1.830	0.000
Br3	0.006	-0.098	1.622
Br4	0.006	-0.098	-1.622

	C1	H2	Br3	Br4
C1		1.0816	1.8740	1.8740
H2	1.0816		2.5571	2.5571
Br3	1.8740	2.5571		3.2449
Br4	1.8740	2.5571	3.2449

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.260		H2	C1	Br4	117.260
Br3	C1	Br4	119.940

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

using model chemistry: B3LYP/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	-0.295
2	H	0.249
3	Br	0.023
4	Br	0.023

	x	y	z	Total
	-0.478	0.524	0.000	0.709
CHELPG
AIM
ESP

	x	y	z
x	3.266	-0.189	0.000
y	-0.189	4.687	0.000
z	0.000	0.000	9.172

<r²>	218.163
(<r²>)^1/2	14.770

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

using model chemistry: B3LYP/3-21G*

States and conformations

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