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	hartrees
Energy at 0K	-5186.291253
Energy at 298.15K
HF Energy	-5186.291253
Nuclear repulsion energy	339.330672

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'	3239	3239	1.06	94.67	0.23	0.38
2	A'	627	627	4.82	5.20	0.14	0.24
3	A'	368	368	26.09	7.27	0.09	0.16
4	A'	187	187	0.21	2.93	0.48	0.65
5	A"	1182	1182	57.43	0.33	0.75	0.86
6	A"	798	798	116.63	1.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.818	0.000
H2	-0.417	1.811	0.000
Br3	0.005	-0.096	1.608
Br4	0.005	-0.096	-1.608

	C1	H2	Br3	Br4
C1		1.0792	1.8494	1.8494
H2	1.0792		2.5297	2.5297
Br3	1.8494	2.5297		3.2160
Br4	1.8494	2.5297	3.2160

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.040		H2	C1	Br4	117.040
Br3	C1	Br4	120.794

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

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.163
2	H	0.134
3	Br	0.014
4	Br	0.014

	x	y	z	Total
	-0.362	0.671	0.000	0.763
CHELPG
AIM
ESP

	x	y	z
x	5.233	-0.073	0.000
y	-0.073	6.284	0.000
z	0.000	0.000	10.912

<r²>	215.193
(<r²>)^1/2	14.669

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

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

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