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	hartrees
Energy at 0K	-39.559645
Energy at 298.15K	-39.560534
HF Energy	-39.559645
Nuclear repulsion energy	9.668255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	2804	0.01
2	A₁	225	193	67.21
3	E	3450	2969	5.95
3	E	3450	2969	5.95
4	E	1501	1292	2.13
4	E	1501	1292	2.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.018
H2	0.000	1.079	-0.036
H3	-0.934	-0.539	-0.036
H4	0.934	-0.539	-0.036

	C1	H2	H3	H4
C1		1.0801	1.0801	1.0801
H2	1.0801		1.8684	1.8684
H3	1.0801	1.8684		1.8684
H4	1.0801	1.8684	1.8684

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	H3	119.746		H2	C1	H4	119.746
H3	C1	H4	119.746

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

using model chemistry: ROHF/cc-pVDZ

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	-0.183
2	H	0.061
3	H	0.061
4	H	0.061

	x	y	z	Total
	0.000	0.000	-0.109	0.109
CHELPG
AIM
ESP

<r²>	8.297
(<r²>)^1/2	2.880

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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