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	hartrees
Energy at 0K	-40.262639
Energy at 298.15K	-40.265666
HF Energy	-40.262639
Nuclear repulsion energy	13.431250

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	3073	2940	0.00	103.56	0.00	0.00
2	E	1640	1569	0.00	36.84	0.75	0.86
2	E	1640	1569	0.00	36.84	0.75	0.86
3	T₂	3188	3050	20.62	47.73	0.75	0.86
3	T₂	3188	3050	20.62	47.73	0.75	0.86
3	T₂	3188	3050	20.62	47.73	0.75	0.86
4	T₂	1411	1350	29.58	3.14	0.75	0.86
4	T₂	1411	1350	29.58	3.14	0.75	0.86
4	T₂	1411	1350	29.58	3.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.630	0.630	0.630
H3	-0.630	-0.630	0.630
H4	-0.630	0.630	-0.630
H5	0.630	-0.630	-0.630

	C1	H2	H3	H4	H5
C1		1.0903	1.0903	1.0903	1.0903
H2	1.0903		1.7805	1.7805	1.7805
H3	1.0903	1.7805		1.7805	1.7805
H4	1.0903	1.7805	1.7805		1.7805
H5	1.0903	1.7805	1.7805	1.7805

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: B1B95/3-21G

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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Number	Element	Mulliken
1	C	-0.829
2	H	0.207
3	H	0.207
4	H	0.207
5	H	0.207

<r²>	9.883
(<r²>)^1/2	3.144

All results from a given calculation for CH4 (Methane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for CH₄ (Methane)