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	hartrees
Energy at 0K	-7755.059089
Energy at 298.15K
HF Energy	-7755.059089
Nuclear repulsion energy	785.505705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	378	378	0.03
2	A₁	258	258	0.04
3	E	850	850	101.92
3	E	850	850	101.92
4	E	170	170	0.07
4	E	170	170	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.300
Br2	0.000	1.848	-0.017
Br3	1.600	-0.924	-0.017
Br4	-1.600	-0.924	-0.017

	C1	Br2	Br3	Br4
C1		1.8748	1.8748	1.8748
Br2	1.8748		3.2003	3.2003
Br3	1.8748	3.2003		3.2003
Br4	1.8748	3.2003	3.2003

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	117.191		Br2	C1	Br4	117.191
Br3	C1	Br4	117.191

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

using model chemistry: ROHF/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.003
2	Br	0.001
3	Br	0.001
4	Br	0.001

	x	y	z	Total
	0.000	0.000	-0.040	0.040
CHELPG
AIM
ESP

<r²>	396.349
(<r²>)^1/2	19.909

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

using model chemistry: ROHF/Def2TZVPP

States and conformations

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