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	hartrees
Energy at 0K	-5183.135270
Energy at 298.15K
HF Energy	-5183.135270
Nuclear repulsion energy	336.462844

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
A'	3389	2900	2.32
A'	706	604	17.23
A'	585	501	7.23
A'	196	167	0.05
A"	1308	1119	85.22
A"	818	699	111.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.847	0.000
H2	-0.569	1.749	0.000
Br3	0.007	-0.098	1.619
Br4	0.007	-0.098	-1.619

	C1	H2	Br3	Br4
C1		1.0708	1.8743	1.8743
H2	1.0708		2.5228	2.5228
Br3	1.8743	2.5228		3.2374
Br4	1.8743	2.5228	3.2374

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.134		H2	C1	Br4	115.134
Br3	C1	Br4	119.454

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

using model chemistry: ROHF/6-311G*

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	-0.361
2	H	0.299
3	Br	0.031
4	Br	0.031

	x	y	z	Total
	-0.534	0.985	0.000	1.121
CHELPG
AIM
ESP

<r²>	218.330
(<r²>)^1/2	14.776

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

using model chemistry: ROHF/6-311G*

States and conformations

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