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	hartrees
Energy at 0K	-5183.158112
Energy at 298.15K
HF Energy	-5183.158112
Nuclear repulsion energy	337.601004

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'	3364	3057	1.22	82.17	0.21	0.35
2	A'	652	592	8.13	7.47	0.07	0.12
3	A'	498	452	14.06	10.61	0.12	0.22
4	A'	195	177	0.11	2.48	0.37	0.54
5	A"	1281	1164	78.71	0.09	0.75	0.86
6	A"	829	753	91.55	3.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.834	0.000
H2	-0.483	1.785	0.000
Br3	0.006	-0.097	1.615
Br4	0.006	-0.097	-1.615

	C1	H2	Br3	Br4
C1		1.0693	1.8638	1.8638
H2	1.0693		2.5273	2.5273
Br3	1.8638	2.5273		3.2294
Br4	1.8638	2.5273	3.2294

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.363		H2	C1	Br4	116.363
Br3	C1	Br4	120.073

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.125
2	H	0.168
3	Br	-0.021
4	Br	-0.021

	x	y	z	Total
	-0.380	0.956	0.000	1.029
CHELPG
AIM
ESP

	x	y	z
x	5.991	-0.076	0.000
y	-0.076	6.700	0.000
z	0.000	0.000	10.495

<r²>	217.300
(<r²>)^1/2	14.741

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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