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	hartrees
Energy at 0K	-39.339391
Energy at 298.15K	-39.340228
HF Energy	-39.339391
Nuclear repulsion energy	9.755912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3272	2968	0.00
2	A₂"	188	170	102.31
3	E'	3451	3130	9.86
3	E'	3451	3130	9.86
4	E'	1553	1408	1.86
4	E'	1553	1408	1.86

Atom	x (Å)	y (Å)
C1	0.000	0.000
H2	0.000	1.070
H3	0.927	-0.535
H4	-0.927	-0.535

	C1	H2	H3	H4
C1		1.0703	1.0703	1.0703
H2	1.0703		1.8538	1.8538
H3	1.0703	1.8538		1.8538
H4	1.0703	1.8538	1.8538

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	H3	120.000		H2	C1	H4	120.000
H3	C1	H4	120.000

All results from a given calculation for CH₃ (Methyl radical)

using model chemistry: ROHF/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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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	-0.601
2	H	0.200
3	H	0.200
4	H	0.200

<r²>	8.234
(<r²>)^1/2	2.870

All results from a given calculation for CH3 (Methyl radical)

using model chemistry: ROHF/3-21G

States and conformations

All results from a given calculation for CH₃ (Methyl radical)