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	hartrees
Energy at 0K	-65.371677
Energy at 298.15K
HF Energy	-65.371677
Nuclear repulsion energy	36.977026

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'	3285	3285	0.90	113.97	0.24	0.39
2	A'	607	607	12.31	10.53	0.30	0.46
3	A'	361	361	61.99	6.89	0.03	0.05
4	A'	194	194	0.24	8.01	0.65	0.79
5	A"	1222	1222	67.34	1.30	0.75	0.86
6	A"	795	795	151.86	2.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.844	0.000
H2	-0.406	1.846	0.000
Br3	0.005	-0.099	1.655
Br4	0.005	-0.099	-1.655

	C1	H2	Br3	Br4
C1		1.0834	1.9040	1.9040
H2	1.0834		2.5861	2.5861
Br3	1.9040	2.5861		3.3090
Br4	1.9040	2.5861	3.3090

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.251		H2	C1	Br4	117.251
Br3	C1	Br4	120.674

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

using model chemistry: wB97X-D/SDD

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	-0.567
2	H	0.303
3	Br	0.132
4	Br	0.132

	x	y	z	Total
	-0.585	0.826	0.000	1.013
CHELPG
AIM
ESP

	x	y	z
x	1.780	-0.113	0.000
y	-0.113	3.670	0.000
z	0.000	0.000	9.466

<r²>	68.459
(<r²>)^1/2	8.274

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

using model chemistry: wB97X-D/SDD

States and conformations

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