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	hartrees
Energy at 0K	-40.443708
Energy at 298.15K	-40.446700
HF Energy	-40.443708
Nuclear repulsion energy	13.239719

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	2972	2955	0.00	148.21	0.00	0.00
2	E	1485	1476	0.00	21.69	0.75	0.86
2	E	1485	1476	0.00	21.69	0.75	0.86
3	T₂	3107	3089	15.81	60.54	0.75	0.86
3	T₂	3107	3089	15.81	60.54	0.75	0.86
3	T₂	3107	3089	15.81	60.54	0.75	0.86
4	T₂	1258	1251	13.83	1.20	0.75	0.86
4	T₂	1258	1251	13.83	1.20	0.75	0.86
4	T₂	1258	1251	13.83	1.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.639	0.639	0.639
H3	-0.639	-0.639	0.639
H4	-0.639	0.639	-0.639
H5	0.639	-0.639	-0.639

	C1	H2	H3	H4	H5
C1		1.1061	1.1061	1.1061	1.1061
H2	1.1061		1.8063	1.8063	1.8063
H3	1.1061	1.8063		1.8063	1.8063
H4	1.1061	1.8063	1.8063		1.8063
H5	1.1061	1.8063	1.8063	1.8063

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: PBEPBEultrafine/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	-0.179
2	H	0.045
3	H	0.045
4	H	0.045
5	H	0.045

<r²>	10.094
(<r²>)^1/2	3.177

All results from a given calculation for CH4 (Methane)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₄ (Methane)