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	hartrees
Energy at 0K	-5130.230838
Energy at 298.15K
HF Energy	-5130.230838
Nuclear repulsion energy	333.274258

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'	3424	3030	0.37	41.48	0.40	0.57
2	A'	671	594	14.90	4.90	0.28	0.44
3	A'	424	375	14.78	5.44	0.15	0.25
4	A'	201	178	0.41	2.73	0.63	0.77
5	A"	1328	1175	76.22	5.88	0.75	0.86
6	A"	908	803	111.01	2.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.810	0.000
H2	-0.481	1.796	0.000
Br3	0.006	-0.095	1.642
Br4	0.006	-0.095	-1.642

	C1	H2	Br3	Br4
C1		1.1003	1.8751	1.8751
H2	1.1003		2.5518	2.5518
Br3	1.8751	2.5518		3.2849
Br4	1.8751	2.5518	3.2849

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.637		H2	C1	Br4	115.637
Br3	C1	Br4	122.307

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

using model chemistry: B3PW91/STO-3G

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	-0.213
2	H	0.099
3	Br	0.057
4	Br	0.057

	x	y	z	Total
	-0.393	0.608	0.000	0.724
CHELPG
AIM
ESP

	x	y	z
x	0.597	-0.141	0.000
y	-0.141	1.659	0.000
z	0.000	0.000	5.196

<r²>	220.843
(<r²>)^1/2	14.861

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

using model chemistry: B3PW91/STO-3G

States and conformations

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