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	hartrees
Energy at 0K	-5181.036731
Energy at 298.15K
HF Energy	-5180.924463
Nuclear repulsion energy	336.944180

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'	3267	3101	1.36	95.96	0.27	0.43
2	A'	635	603	12.84	4.97	0.43	0.60
3	A'	485	460	18.67	12.79	0.07	0.13
4	A'	190	180	0.03	3.63	0.47	0.64
5	A"	1208	1146	59.82	2.78	0.75	0.86
6	A"	752	714	131.57	1.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.853	0.000
H2	-0.543	1.785	0.000
Br3	0.007	-0.099	1.614
Br4	0.007	-0.099	-1.614

	C1	H2	Br3	Br4
C1		1.0815	1.8738	1.8738
H2	1.0815		2.5404	2.5404
Br3	1.8738	2.5404		3.2281
Br4	1.8738	2.5404	3.2281

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.939		H2	C1	Br4	115.939
Br3	C1	Br4	118.944

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

using model chemistry: B2PLYP/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	-0.165
2	H	0.223
3	Br	-0.029
4	Br	-0.029

	x	y	z	Total
	-0.518	0.688	0.000	0.862
CHELPG
AIM
ESP

	x	y	z
x	3.925	-0.208	0.001
y	-0.208	5.175	0.003
z	0.001	0.003	9.532

<r²>	216.831
(<r²>)^1/2	14.725

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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