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	hartrees
Energy at 0K	-5186.953421
Energy at 298.15K
HF Energy	-5186.953421
Nuclear repulsion energy	334.643716

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'	3202	3106	1.02	109.46	0.26	0.42
2	A'	619	601	10.46	6.20	0.40	0.58
3	A'	449	436	23.38	13.06	0.06	0.11
4	A'	183	178	0.06	4.72	0.53	0.70
5	A"	1157	1122	55.64	2.39	0.75	0.86
6	A"	750	728	140.41	2.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.839	0.000
H2	-0.527	1.792	0.000
Br3	0.007	-0.098	1.629
Br4	0.007	-0.098	-1.629

	C1	H2	Br3	Br4
C1		1.0923	1.8793	1.8793
H2	1.0923		2.5515	2.5515
Br3	1.8793	2.5515		3.2583
Br4	1.8793	2.5515	3.2583

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.772		H2	C1	Br4	115.772
Br3	C1	Br4	120.201

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.181
2	H	0.105
3	Br	0.038
4	Br	0.038

	x	y	z	Total
	-0.504	0.553	0.000	0.748
CHELPG
AIM
ESP

	x	y	z
x	3.310	-0.206	0.000
y	-0.206	4.803	0.000
z	0.000	0.000	9.644

<r²>	219.994
(<r²>)^1/2	14.832

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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