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	hartrees
Energy at 0K	-5183.229862
Energy at 298.15K
HF Energy	-5183.229862
Nuclear repulsion energy	336.117373

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'	3378	3070	0.89	97.16	0.26	0.41
2	A'	644	585	10.01	6.66	0.23	0.38
3	A'	500	454	15.75	9.23	0.09	0.16
4	A'	193	175	0.11	4.05	0.53	0.69
5	A"	1285	1168	89.41	0.57	0.75	0.86
6	A"	815	740	102.30	6.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.838	0.000
H2	-0.487	1.787	0.000
Br3	0.006	-0.097	1.622
Br4	0.006	-0.097	-1.622

	C1	H2	Br3	Br4
C1		1.0700	1.8722	1.8722
H2	1.0700		2.5347	2.5347
Br3	1.8722	2.5347		3.2441
Br4	1.8722	2.5347	3.2441

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.298		H2	C1	Br4	116.298
Br3	C1	Br4	120.087

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

using model chemistry: HF/TZVP

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	-0.052
2	H	0.160
3	Br	-0.054
4	Br	-0.054

	x	y	z	Total
	-0.431	1.006	0.000	1.095
CHELPG
AIM
ESP

	x	y	z
x	3.865	-0.127	0.000
y	-0.127	5.039	0.000
z	0.000	0.000	9.196

<r²>	218.968
(<r²>)^1/2	14.798

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

using model chemistry: HF/TZVP

States and conformations

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