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	hartrees
Energy at 0K	-7760.576959
Energy at 298.15K
HF Energy	-7760.576959
Nuclear repulsion energy	767.973422

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	321	320	1.87	19.35	0.03	0.07
2	A₁	232	232	0.47	8.33	0.18	0.31
3	E	663	661	185.58	3.14	0.75	0.86
3	E	663	661	185.60	3.14	0.75	0.86
4	E	149	149	0.20	5.09	0.75	0.86
4	E	149	149	0.20	5.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.341
Br2	0.000	1.888	-0.020
Br3	1.635	-0.944	-0.020
Br4	-1.635	-0.944	-0.020

	C1	Br2	Br3	Br4
C1		1.9226	1.9226	1.9226
Br2	1.9226		3.2708	3.2708
Br3	1.9226	3.2708		3.2708
Br4	1.9226	3.2708	3.2708

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	116.560		Br2	C1	Br4	116.560
Br3	C1	Br4	116.560

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

using model chemistry: BLYP/TZVP

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	-0.111
2	Br	0.037
3	Br	0.037
4	Br	0.037

	x	y	z	Total
	0.000	0.000	-0.343	0.343
CHELPG
AIM
ESP

<r²>	412.267
(<r²>)^1/2	20.304

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

using model chemistry: BLYP/TZVP

States and conformations

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