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	hartrees
Energy at 0K	-5186.982012
Energy at 298.15K
HF Energy	-5186.982012
Nuclear repulsion energy	337.667320

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'	3238	3238	0.91	94.59	0.29	0.45
2	A'	631	631	7.16	5.91	0.32	0.49
3	A'	399	399	37.86	7.96	0.08	0.15
4	A'	190	190	0.23	3.87	0.57	0.73
5	A"	1222	1222	63.21	1.81	0.75	0.86
6	A"	798	798	128.23	1.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.821	0.000
H2	-0.437	1.807	0.000
Br3	0.006	-0.096	1.616
Br4	0.006	-0.096	-1.616

	C1	H2	Br3	Br4
C1		1.0809	1.8585	1.8585
H2	1.0809		2.5360	2.5360
Br3	1.8585	2.5360		3.2326
Br4	1.8585	2.5360	3.2326

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.761		H2	C1	Br4	116.761
Br3	C1	Br4	120.842

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

using model chemistry: wB97X-D/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	-0.464
2	H	0.297
3	Br	0.083
4	Br	0.083

	x	y	z	Total
	-0.472	0.669	0.000	0.819
CHELPG
AIM
ESP

	x	y	z
x	3.413	-0.141	0.000
y	-0.141	4.869	0.000
z	0.000	0.000	9.679

<r²>	217.066
(<r²>)^1/2	14.733

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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