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	hartrees
Energy at 0K	-40.287363
Energy at 298.15K	-40.290389
HF Energy	-40.287363
Nuclear repulsion energy	13.386806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	2933	0.00
2	E	1636	1572	0.00
2	E	1636	1572	0.00
3	T₂	3165	3042	21.49
3	T₂	3165	3042	21.49
3	T₂	3165	3042	21.49
4	T₂	1405	1351	30.23
4	T₂	1405	1351	30.23
4	T₂	1405	1351	30.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.632	0.632	0.632
H3	-0.632	-0.632	0.632
H4	-0.632	0.632	-0.632
H5	0.632	-0.632	-0.632

	C1	H2	H3	H4	H5
C1		1.0940	1.0940	1.0940	1.0940
H2	1.0940		1.7864	1.7864	1.7864
H3	1.0940	1.7864		1.7864	1.7864
H4	1.0940	1.7864	1.7864		1.7864
H5	1.0940	1.7864	1.7864	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.471	H2	C1	H4	109.471
H2	C1	H5	109.471	H3	C1	H4	109.471
H3	C1	H5	109.471	H4	C1	H5	109.471

All results from a given calculation for CH₄ (Methane)

using model chemistry: B3PW91/3-21G

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	-0.845
2	H	0.211
3	H	0.211
4	H	0.211
5	H	0.211

<r²>	9.918
(<r²>)^1/2	3.149

All results from a given calculation for CH4 (Methane)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for CH₄ (Methane)