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	hartrees
Energy at 0K	-7759.528281
Energy at 298.15K
HF Energy	-7759.528281
Nuclear repulsion energy	788.166297

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	318	318	0.61	15.32	0.06	0.11
2	A₁	233	233	0.99	0.13	0.67	0.80
3	E	794	794	129.40	1.07	0.75	0.86
3	E	794	794	129.42	1.07	0.75	0.86
4	E	161	161	0.00	2.50	0.75	0.86
4	E	161	161	0.00	2.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.272
Br2	0.000	1.842	-0.016
Br3	1.596	-0.921	-0.016
Br4	-1.596	-0.921	-0.016

	C1	Br2	Br3	Br4
C1		1.8648	1.8648	1.8648
Br2	1.8648		3.1913	3.1913
Br3	1.8648	3.1913		3.1913
Br4	1.8648	3.1913	3.1913

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	117.664		Br2	C1	Br4	117.664
Br3	C1	Br4	117.664

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

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.077
2	Br	0.026
3	Br	0.026
4	Br	0.026

	x	y	z	Total
	0.000	0.000	-0.183	0.183
CHELPG
AIM
ESP

	x	y	z
x	12.334	0.000	0.000
y	0.000	12.334	-0.000
z	0.000	-0.000	6.887

<r²>	393.652
(<r²>)^1/2	19.841

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

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

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