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	hartrees
Energy at 0K	-39.828634
Energy at 298.15K	-39.829829
HF Energy	-39.828634
Nuclear repulsion energy	9.632803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3038	3038	0.00
2	A₂"	526	526	72.38
3	E'	3210	3210	6.62
3	E'	3210	3210	6.62
4	E'	1373	1373	2.59
4	E'	1373	1373	2.59

Atom	x (Å)	y (Å)
C1	0.000	0.000
H2	0.000	1.084
H3	0.939	-0.542
H4	-0.939	-0.542

	C1	H2	H3	H4
C1		1.0840	1.0840	1.0840
H2	1.0840		1.8775	1.8775
H3	1.0840	1.8775		1.8775
H4	1.0840	1.8775	1.8775

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: BLYP/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	-0.350
2	H	0.117
3	H	0.117
4	H	0.117

<r²>	8.461
(<r²>)^1/2	2.909

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

using model chemistry: BLYP/cc-pCVTZ

States and conformations

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