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	hartrees
Energy at 0K	-5181.296846
Energy at 298.15K
HF Energy	-5181.296846
Nuclear repulsion energy	339.387433

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'	3261	3112	1.17	97.67	0.27	0.43
2	A'	631	602	8.17	5.73	0.25	0.40
3	A'	423	404	26.84	9.68	0.10	0.18
4	A'	192	183	0.08	3.33	0.49	0.66
5	A"	1194	1140	56.85	2.56	0.75	0.86
6	A"	778	743	126.20	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.839	0.000
H2	-0.490	1.800	0.000
Br3	0.006	-0.098	1.603
Br4	0.006	-0.098	-1.603

	C1	H2	Br3	Br4
C1		1.0822	1.8568	1.8568
H2	1.0822		2.5338	2.5338
Br3	1.8568	2.5338		3.2069
Br4	1.8568	2.5338	3.2069

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.619		H2	C1	Br4	116.619
Br3	C1	Br4	119.432

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

using model chemistry: HSEh1PBE/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	-0.157
2	H	0.200
3	Br	-0.022
4	Br	-0.022

	x	y	z	Total
	-0.472	0.669	0.000	0.818
CHELPG
AIM
ESP

	x	y	z
x	3.968	-0.187	0.000
y	-0.187	5.228	0.000
z	0.000	0.000	9.533

<r²>	214.072
(<r²>)^1/2	14.631

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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