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	hartrees
Energy at 0K	-5178.165790
Energy at 298.15K
HF Energy	-5178.165790
Nuclear repulsion energy	337.447734

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
A'	3422	3047	2.35
A'	707	630	15.74
A'	589	525	6.15
A'	199	177	0.07
A"	1298	1156	81.25
A"	803	715	108.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.008	0.861	0.000
H2	-0.584	1.753	0.000
Br3	0.008	-0.099	1.611
Br4	0.008	-0.099	-1.611

	C1	H2	Br3	Br4
C1		1.0705	1.8747	1.8747
H2	1.0705		2.5243	2.5243
Br3	1.8747	2.5243		3.2210
Br4	1.8747	2.5243	3.2210

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.239		H2	C1	Br4	115.239
Br3	C1	Br4	118.429

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

using model chemistry: ROHF/6-31G*

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	-0.121
2	H	0.252
3	Br	-0.066
4	Br	-0.066

	x	y	z	Total
	-0.503	0.987	0.000	1.108
CHELPG
AIM
ESP

<r²>	216.358
(<r²>)^1/2	14.709

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

using model chemistry: ROHF/6-31G*

States and conformations

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