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	hartrees
Energy at 0K	-5189.576230
Energy at 298.15K
HF Energy	-5189.576230
Nuclear repulsion energy	333.877188

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'	3159	3114	0.77	107.66	0.27	0.43
2	A'	609	600	11.96	4.48	0.47	0.64
3	A'	433	427	22.04	15.68	0.07	0.13
4	A'	180	178	0.06	5.62	0.52	0.68
5	A"	1159	1143	52.71	1.26	0.75	0.86
6	A"	704	694	164.41	3.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.837	0.000
H2	-0.535	1.777	0.000
Br3	0.007	-0.097	1.634
Br4	0.007	-0.097	-1.634

	C1	H2	Br3	Br4
C1		1.0846	1.8824	1.8824
H2	1.0846		2.5446	2.5446
Br3	1.8824	2.5446		3.2686
Br4	1.8824	2.5446	3.2686

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.458		H2	C1	Br4	115.458
Br3	C1	Br4	120.500

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

using model chemistry: B97D3/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	-0.198
2	H	0.182
3	Br	0.008
4	Br	0.008

	x	y	z	Total
	-0.524	0.581	0.000	0.783
CHELPG
AIM
ESP

	x	y	z
x	4.112	-0.109	0.000
y	-0.109	5.456	0.000
z	0.000	0.000	10.947

<r²>	221.294
(<r²>)^1/2	14.876

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

using model chemistry: B97D3/TZVP

States and conformations

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