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	hartrees
Energy at 0K	-115.049631
Energy at 298.15K	-115.052174
HF Energy	-115.049631
Nuclear repulsion energy	34.917608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3635	3626	16.44
2	A	3166	3158	30.21
3	A	3018	3011	31.71
4	A	1455	1451	6.14
5	A	1349	1345	33.81
6	A	1147	1145	75.75
7	A	1047	1045	50.68
8	A	628	627	89.94
9	A	465	464	81.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.693	0.029	-0.076
O2	-0.677	-0.126	0.027
H3	1.229	-0.898	0.117
H4	1.134	0.989	0.206
H5	-1.104	0.744	-0.078

	C1	O2	H3	H4	H5
C1		1.3824	1.0883	1.0939	1.9336
O2	1.3824		2.0587	2.1347	0.9746
H3	1.0883	2.0587		1.8916	2.8596
H4	1.0939	2.1347	1.8916		2.2695
H5	1.9336	0.9746	2.8596	2.2695

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.022		O2	C1	H3	112.318
O2	C1	H4	118.633		H3	C1	H4	120.183

All results from a given calculation for CH₂OH (Hydroxymethyl radical)

using model chemistry: BLYP/6-311G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.312
2	O	-0.440
3	H	0.196
4	H	0.174
5	H	0.382

	x	y	z	Total
	-0.147	1.576	0.273	1.606
CHELPG
AIM
ESP

	x	y	z
x	2.950	-0.139	0.056
y	-0.139	2.422	0.003
z	0.056	0.003	1.571

<r²>	20.871
(<r²>)^1/2	4.568

All results from a given calculation for CH2OH (Hydroxymethyl radical)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₂OH (Hydroxymethyl radical)