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	hartrees
Energy at 0K	-39.860957
Energy at 298.15K	-39.862131
HF Energy	-39.860957
Nuclear repulsion energy	9.666167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3100	3100	0.00
2	A₂"	492	492	74.49
3	E'	3277	3277	7.31
3	E'	3277	3277	7.33
4	E'	1420	1420	2.24
4	E'	1420	1420	2.24

Atom	x (Å)	y (Å)
C1	0.000	0.000
H2	0.000	1.080
H3	0.936	-0.540
H4	-0.936	-0.540

	C1	H2	H3	H4
C1		1.0802	1.0802	1.0802
H2	1.0802		1.8710	1.8710
H3	1.0802	1.8710		1.8710
H4	1.0802	1.8710	1.8710

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: TPSSh/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	-0.300
2	H	0.100
3	H	0.100
4	H	0.100

<r²>	8.332
(<r²>)^1/2	2.887

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

using model chemistry: TPSSh/cc-pCVTZ

States and conformations

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