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	hartrees
Energy at 0K	-39.580412
Energy at 298.15K	-39.581520
HF Energy	-39.580412
Nuclear repulsion energy	9.754441

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'	3231	2935	0.00	150.21	0.08	0.16
2	A₂"	411	373	77.56	0.00	0.00	0.00
3	E'	3407	3095	8.35	30.63	0.75	0.86
3	E'	3407	3095	8.35	30.63	0.75	0.86
4	E'	1518	1379	1.66	0.82	0.75	0.86
4	E'	1518	1379	1.66	0.82	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.000
H2	0.000	1.070
H3	0.927	-0.535
H4	-0.927	-0.535

	C1	H2	H3	H4
C1		1.0705	1.0705	1.0705
H2	1.0705		1.8541	1.8541
H3	1.0705	1.8541		1.8541
H4	1.0705	1.8541	1.8541

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: HF/cc-pVQZ

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	-0.269
2	H	0.090
3	H	0.090
4	H	0.090

<r²>	8.295
(<r²>)^1/2	2.880

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

using model chemistry: HF/cc-pVQZ

States and conformations

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