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	hartrees
Energy at 0K	-5186.069935
Energy at 298.15K
HF Energy	-5186.069935
Nuclear repulsion energy	334.999720

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'	3142	3110	1.10	102.67	0.29	0.45
2	A'	615	608	9.79	6.19	0.41	0.58
3	A'	417	413	33.95	14.16	0.07	0.13
4	A'	182	180	0.13	5.22	0.54	0.71
5	A"	1164	1152	50.41	2.39	0.75	0.86
6	A"	742	735	152.72	1.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.831	0.000
H2	-0.510	1.790	0.000
Br3	0.007	-0.097	1.629
Br4	0.007	-0.097	-1.629

	C1	H2	Br3	Br4
C1		1.0897	1.8745	1.8745
H2	1.0897		2.5457	2.5457
Br3	1.8745	2.5457		3.2580
Br4	1.8745	2.5457	3.2580

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.819		H2	C1	Br4	115.819
Br3	C1	Br4	120.696

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

using model chemistry: PBEPBE/6-311G*

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	-0.479
2	H	0.289
3	Br	0.095
4	Br	0.095

	x	y	z	Total
	-0.553	0.540	0.000	0.773
CHELPG
AIM
ESP

	x	y	z
x	3.482	-0.166	0.000
y	-0.166	5.011	0.000
z	0.000	0.000	10.443

<r²>	220.108
(<r²>)^1/2	14.836

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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