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	hartrees
Energy at 0K	-40.537040
Energy at 298.15K	-40.540054
HF Energy	-40.537040
Nuclear repulsion energy	13.440649

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	3031	2920	0.00	164.04	0.00	0.00
2	E	1562	1505	0.00	25.44	0.75	0.86
2	E	1562	1505	0.00	25.44	0.75	0.86
3	T₂	3136	3021	25.39	61.12	0.75	0.86
3	T₂	3136	3021	25.39	61.12	0.75	0.86
3	T₂	3136	3021	25.39	61.12	0.75	0.86
4	T₂	1346	1296	17.93	1.25	0.75	0.86
4	T₂	1346	1296	17.93	1.25	0.75	0.86
4	T₂	1346	1296	17.93	1.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.629	0.629	0.629
H3	-0.629	-0.629	0.629
H4	-0.629	0.629	-0.629
H5	0.629	-0.629	-0.629

	C1	H2	H3	H4	H5
C1		1.0896	1.0896	1.0896	1.0896
H2	1.0896		1.7793	1.7793	1.7793
H3	1.0896	1.7793		1.7793	1.7793
H4	1.0896	1.7793	1.7793		1.7793
H5	1.0896	1.7793	1.7793	1.7793

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: B3LYPultrafine/TZVP

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	-0.481
2	H	0.120
3	H	0.120
4	H	0.120
5	H	0.120

<r²>	10.059
(<r²>)^1/2	3.172

All results from a given calculation for CH4 (Methane)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for CH₄ (Methane)