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	hartrees
Energy at 0K	-40.504501
Energy at 298.15K	-40.507506
HF Energy	-40.504501
Nuclear repulsion energy	13.388191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2960	2960	0.00
2	E	1525	1525	0.00
2	E	1525	1525	0.00
3	T₂	3056	3056	23.62
3	T₂	3056	3056	23.62
3	T₂	3056	3056	23.62
4	T₂	1311	1311	10.52
4	T₂	1311	1311	10.52
4	T₂	1311	1311	10.52

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		1.0938	1.0938	1.0938	1.0938
H2	1.0938		1.7862	1.7862	1.7862
H3	1.0938	1.7862		1.7862	1.7862
H4	1.0938	1.7862	1.7862		1.7862
H5	1.0938	1.7862	1.7862	1.7862

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: BLYP/aug-cc-pVQZ

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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Number	Element	Mulliken
1	C	-0.971
2	H	0.243
3	H	0.243
4	H	0.243
5	H	0.243

<r²>	10.156
(<r²>)^1/2	3.187

All results from a given calculation for CH4 (Methane)

using model chemistry: BLYP/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₄ (Methane)