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	hartrees
Energy at 0K	-5183.328878
Energy at 298.15K
HF Energy	-5183.328878
Nuclear repulsion energy	337.304927

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
A'	3363	3030	1.16
A'	699	630	14.32
A'	578	521	6.83
A'	195	175	0.08
A"	1286	1158	76.74
A"	823	742	99.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.846	0.000
H2	-0.558	1.754	0.000
Br3	0.007	-0.098	1.614
Br4	0.007	-0.098	-1.614

	C1	H2	Br3	Br4
C1		1.0694	1.8699	1.8699
H2	1.0694		2.5207	2.5207
Br3	1.8699	2.5207		3.2286
Br4	1.8699	2.5207	3.2286

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.369		H2	C1	Br4	115.369
Br3	C1	Br4	119.373

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

using model chemistry: ROHF/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	-0.098
2	H	0.171
3	Br	-0.037
4	Br	-0.037

	x	y	z	Total
	-0.456	0.977	0.000	1.078
CHELPG
AIM
ESP

<r²>	217.250
(<r²>)^1/2	14.739

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

using model chemistry: ROHF/cc-pVTZ

States and conformations

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