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	hartrees
Energy at 0K	-7760.549210
Energy at 298.15K
HF Energy	-7760.549210
Nuclear repulsion energy	788.098406

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	0.47	13.46	0.05	0.10
2	A₁	234	234	0.77	0.30	0.32	0.49
3	E	804	804	126.80	1.14	0.75	0.86
3	E	803	803	126.84	1.14	0.75	0.86
4	E	166	166	0.00	1.93	0.75	0.86
4	E	166	166	0.00	1.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.275
Br2	0.000	1.843	-0.016
Br3	1.596	-0.921	-0.016
Br4	-1.596	-0.921	-0.016

	C1	Br2	Br3	Br4
C1		1.8653	1.8653	1.8653
Br2	1.8653		3.1914	3.1914
Br3	1.8653	3.1914		3.1914
Br4	1.8653	3.1914	3.1914

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	117.620		Br2	C1	Br4	117.620
Br3	C1	Br4	117.620

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	-0.139
2	Br	0.046
3	Br	0.046
4	Br	0.046

	x	y	z	Total
	0.000	0.000	-0.157	0.157
CHELPG
AIM
ESP

	x	y	z
x	13.053	0.000	0.000
y	0.000	13.048	-0.001
z	0.000	-0.001	8.096

<r²>	393.984
(<r²>)^1/2	19.849

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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