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	hartrees
Energy at 0K	-5185.731888
Energy at 298.15K	-5185.726914
HF Energy	-5186.404612
Nuclear repulsion energy	334.439621

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	3106	1.33	98.67	0.28	0.44
2	A'	623	598	11.63	5.35	0.37	0.54
3	A'	458	440	20.81	13.91	0.08	0.15
4	A'	187	179	0.03	3.82	0.47	0.64
5	A"	1188	1141	58.60	2.79	0.75	0.86
6	A"	737	708	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	115.850		H2	C1	Br4	115.850
Br3	C1	Br4	120.515

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

using model chemistry: G3B3

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

<r²>	217.801
(<r²>)^1/2	14.758

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

using model chemistry: G3B3

States and conformations

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