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	hartrees
Energy at 0K	-112.904536
Energy at 298.15K	-112.907090
HF Energy	-112.904536
Nuclear repulsion energy	34.397054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3300	12.41
2	A	3497	3131	1.36
3	A	3302	2957	0.43
4	A	1573	1408	4.90
5	A	1488	1332	18.21
6	A	1291	1157	16.59
7	A	1082	969	21.39
8	A	686	614	73.67
9	A	554	496	28.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.696	0.028	-0.086
O2	-0.689	-0.134	0.027
H3	1.240	-0.900	0.138
H4	1.147	0.982	0.229
H5	-1.047	0.826	-0.070

	C1	O2	H3	H4	H5
C1		1.3990	1.0985	1.1018	1.9173
O2	1.3990		2.0786	2.1584	1.0295
H3	1.0985	2.0786		1.8866	2.8730
H4	1.1018	2.1584	1.8866		2.2199
H5	1.9173	1.0295	2.8730	2.2199

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	103.221		O2	C1	H3	112.105
O2	C1	H4	118.843		H3	C1	H4	118.061

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

using model chemistry: LSDA/STO-3G

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	-0.176
2	O	-0.186
3	H	0.077
4	H	0.067
5	H	0.218

	x	y	z	Total
	-0.415	1.354	0.331	1.454
CHELPG
AIM
ESP

	x	y	z
x	1.772	-0.270	-0.005
y	-0.270	1.280	-0.015
z	-0.005	-0.015	0.364

<r²>	20.282
(<r²>)^1/2	4.504

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

using model chemistry: LSDA/STO-3G

States and conformations

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