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	hartrees
Energy at 0K	-7753.674055
Energy at 298.15K
HF Energy	-7753.674055
Nuclear repulsion energy	781.637308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	306	305	0.91	19.10	0.05	0.10
2	A₁	241	240	0.57	2.21	0.14	0.24
3	E	725	721	136.50	1.06	0.75	0.86
3	E	725	721	136.50	1.06	0.75	0.86
4	E	155	155	0.01	2.72	0.75	0.86
4	E	155	155	0.01	2.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.317
Br2	0.000	1.856	-0.018
Br3	1.608	-0.928	-0.018
Br4	-1.608	-0.928	-0.018

	C1	Br2	Br3	Br4
C1		1.8862	1.8862	1.8862
Br2	1.8862		3.2150	3.2150
Br3	1.8862	3.2150		3.2150
Br4	1.8862	3.2150	3.2150

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	116.918		Br2	C1	Br4	116.918
Br3	C1	Br4	116.918

All results from a given calculation for CBr₃ (tribromomethyl radical)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.359
2	Br	0.120
3	Br	0.120
4	Br	0.120

	x	y	z	Total
	0.000	0.000	-0.220	0.220
CHELPG
AIM
ESP

	x	y	z
x	12.688	0.000	0.000
y	0.000	12.688	-0.000
z	0.000	-0.000	6.970

<r²>	398.782
(<r²>)^1/2	19.970

All results from a given calculation for CBr3 (tribromomethyl radical)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₃ (tribromomethyl radical)