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	hartrees
Energy at 0K	-7764.356819
Energy at 298.15K
HF Energy	-7764.356819
Nuclear repulsion energy	774.118202

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	331	326	1.76	19.64	0.02	0.04
2	A₁	239	235	0.44	7.63	0.20	0.33
3	E	684	675	190.41	1.78	0.75	0.86
3	E	684	675	190.39	1.78	0.75	0.86
4	E	155	152	0.18	4.65	0.75	0.86
4	E	155	152	0.18	4.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.340
Br2	0.000	1.873	-0.019
Br3	1.622	-0.937	-0.019
Br4	-1.622	-0.937	-0.019

	C1	Br2	Br3	Br4
C1		1.9075	1.9075	1.9075
Br2	1.9075		3.2448	3.2448
Br3	1.9075	3.2448		3.2448
Br4	1.9075	3.2448	3.2448

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	116.537		Br2	C1	Br4	116.537
Br3	C1	Br4	116.537

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

using model chemistry: B97D3/6-311G**

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	-0.346
2	Br	0.115
3	Br	0.115
4	Br	0.115

	x	y	z	Total
	0.000	0.000	-0.380	0.380
CHELPG
AIM
ESP

<r²>	405.787
(<r²>)^1/2	20.144

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

using model chemistry: B97D3/6-311G**

States and conformations

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