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	hartrees
Energy at 0K	-5162.465630
Energy at 298.15K
HF Energy	-5162.465630
Nuclear repulsion energy	337.696319

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
A'	3243	3111	0.68
A'	628	603	5.94
A'	303	291	49.58
A'	183	176	0.81
A"	1210	1161	53.67
A"	809	776	114.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.831	0.000
H2	-0.371	1.846	0.000
Br3	0.005	-0.098	1.614
Br4	0.005	-0.098	-1.614

	C1	H2	Br3	Br4
C1		1.0820	1.8616	1.8616
H2	1.0820		2.5536	2.5536
Br3	1.8616	2.5536		3.2272
Br4	1.8616	2.5536	3.2272

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.885		H2	C1	Br4	117.885
Br3	C1	Br4	120.170

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

using model chemistry: B3PW91/3-21G*

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	-0.333
2	H	0.274
3	Br	0.030
4	Br	0.030

	x	y	z	Total
	-0.428	0.564	0.000	0.708
CHELPG
AIM
ESP

	x	y	z
x	3.258	-0.159	0.000
y	-0.159	4.684	0.000
z	0.000	0.000	9.067

<r²>	216.023
(<r²>)^1/2	14.698

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

using model chemistry: B3PW91/3-21G*

States and conformations

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