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	hartrees
Energy at 0K	-5130.156498
Energy at 298.15K
HF Energy	-5130.156498
Nuclear repulsion energy	331.999260

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'	3396	3030	0.49	43.59	0.40	0.57
2	A'	663	592	14.52	5.10	0.28	0.44
3	A'	424	378	14.46	6.19	0.15	0.25
4	A'	198	177	0.36	2.81	0.62	0.77
5	A"	1321	1179	77.64	5.85	0.75	0.86
6	A"	889	793	111.11	2.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.815	0.000
H2	-0.490	1.799	0.000
Br3	0.006	-0.096	1.648
Br4	0.006	-0.096	-1.648

	C1	H2	Br3	Br4
C1		1.1016	1.8833	1.8833
H2	1.1016		2.5597	2.5597
Br3	1.8833	2.5597		3.2967
Br4	1.8833	2.5597	3.2967

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.580		H2	C1	Br4	115.580
Br3	C1	Br4	122.151

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

using model chemistry: B3LYP/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	-0.212
2	H	0.093
3	Br	0.060
4	Br	0.060

	x	y	z	Total
	-0.399	0.558	0.000	0.686
CHELPG
AIM
ESP

	x	y	z
x	0.605	-0.150	0.000
y	-0.150	1.689	0.000
z	0.000	0.000	5.322

<r²>	222.273
(<r²>)^1/2	14.909

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

using model chemistry: B3LYP/STO-3G

States and conformations

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