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	hartrees
Energy at 0K	-39.788884
Energy at 298.15K	-39.790071
HF Energy	-39.788884
Nuclear repulsion energy	9.612045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3046	3046	0.00
2	A₂"	517	517	74.05
3	E'	3225	3225	4.89
3	E'	3225	3225	4.89
4	E'	1355	1355	3.52
4	E'	1355	1355	3.52

Atom	x (Å)	y (Å)
C1	0.000	0.000
H2	0.000	1.086
H3	0.941	-0.543
H4	-0.941	-0.543

	C1	H2	H3	H4
C1		1.0863	1.0863	1.0863
H2	1.0863		1.8816	1.8816
H3	1.0863	1.8816		1.8816
H4	1.0863	1.8816	1.8816

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	H3	120.000		H2	C1	H4	120.000
H3	C1	H4	120.000

All results from a given calculation for CH₃ (Methyl radical)

using model chemistry: PBEPBE/cc-pCVTZ

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	-0.410
2	H	0.137
3	H	0.137
4	H	0.137

<r²>	8.436
(<r²>)^1/2	2.904

All results from a given calculation for CH3 (Methyl radical)

using model chemistry: PBEPBE/cc-pCVTZ

States and conformations

All results from a given calculation for CH₃ (Methyl radical)