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	hartrees
Energy at 0K	-5182.049225
Energy at 298.15K
HF Energy	-5182.049225
Nuclear repulsion energy	336.065346

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'	3234	3098	1.33	98.67	0.28	0.44
2	A'	623	596	11.63	5.35	0.37	0.54
3	A'	458	439	20.81	13.91	0.08	0.15
4	A'	187	179	0.03	3.82	0.47	0.64
5	A"	1188	1138	58.60	2.79	0.75	0.86
6	A"	737	706	137.62	1.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.851	0.000
H2	-0.540	1.786	0.000
Br3	0.007	-0.098	1.619
Br4	0.007	-0.098	-1.619

	C1	H2	Br3	Br4
C1		1.0833	1.8771	1.8771
H2	1.0833		2.5441	2.5441
Br3	1.8771	2.5441		3.2385
Br4	1.8771	2.5441	3.2385

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.890		H2	C1	Br4	115.890
Br3	C1	Br4	119.226

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

using model chemistry: B3LYPultrafine/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	-0.167
2	H	0.214
3	Br	-0.023
4	Br	-0.023

	x	y	z	Total
	-0.516	0.635	0.000	0.818
CHELPG
AIM
ESP

	x	y	z
x	3.957	-0.209	0.000
y	-0.209	5.227	0.000
z	0.000	0.000	9.766

<r²>	217.801
(<r²>)^1/2	14.758

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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