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	hartrees
Energy at 0K	-39.821878
Energy at 298.15K	-39.823016
HF Energy	-39.821878
Nuclear repulsion energy	9.576758

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'	3120	2973	0.00	136.53	0.10	0.19
2	A₂"	456	435	76.04	0.00	0.75	0.86
3	E'	3322	3165	2.46	39.24	0.75	0.86
3	E'	3322	3165	2.48	39.25	0.75	0.86
4	E'	1381	1315	3.81	3.14	0.75	0.86
4	E'	1381	1315	3.79	3.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.000
H2	0.000	1.090
H3	0.944	-0.545
H4	-0.944	-0.545

	C1	H2	H3	H4
C1		1.0903	1.0903	1.0903
H2	1.0903		1.8885	1.8885
H3	1.0903	1.8885		1.8885
H4	1.0903	1.8885	1.8885

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: wB97X-D/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	-0.211
2	H	0.070
3	H	0.070
4	H	0.070

<r²>	8.310
(<r²>)^1/2	2.883

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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