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	hartrees
Energy at 0K	-7722.937420
Energy at 298.15K
HF Energy	-7722.937420
Nuclear repulsion energy	786.380959

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	320	308	1.09	14.81	0.06	0.11
2	A₁	217	208	2.50	0.42	0.49	0.66
3	E	818	786	131.47	0.34	0.75	0.86
3	E	818	786	131.47	0.34	0.75	0.86
4	E	157	151	0.02	2.93	0.75	0.86
4	E	157	151	0.02	2.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.290
Br2	0.000	1.846	-0.017
Br3	1.599	-0.923	-0.017
Br4	-1.599	-0.923	-0.017

	C1	Br2	Br3	Br4
C1		1.8713	1.8713	1.8713
Br2	1.8713		3.1974	3.1974
Br3	1.8713	3.1974		3.1974
Br4	1.8713	3.1974	3.1974

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	117.370		Br2	C1	Br4	117.370
Br3	C1	Br4	117.370

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

using model chemistry: PBE1PBE/3-21G

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	-0.190
2	Br	0.063
3	Br	0.063
4	Br	0.063

	x	y	z	Total
	0.000	0.000	-0.399	0.399
CHELPG
AIM
ESP

<r²>	394.237
(<r²>)^1/2	19.855

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

using model chemistry: PBE1PBE/3-21G

States and conformations

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