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	hartrees
Energy at 0K	-113.819723
Energy at 298.15K	-113.822082
HF Energy	-113.819723
Nuclear repulsion energy	34.716505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3434	3372	10.80
2	A	3226	3168	15.37
3	A	3070	3015	11.25
4	A	1467	1440	1.27
5	A	1338	1314	22.35
6	A	1174	1153	59.55
7	A	1018	1000	69.01
8	A	501	492	232.95
9	A	362	356	12.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.692	0.030	-0.053
O2	0.679	-0.128	0.024
H3	-1.240	-0.905	0.058
H4	-1.171	0.992	0.154
H5	1.130	0.759	-0.086

	C1	O2	H3	H4	H5
C1		1.3829	1.0888	1.0949	1.9632
O2	1.3829		2.0707	2.1668	1.0010
H3	1.0888	2.0707		1.9013	2.8992
H4	1.0949	2.1668	1.9013		2.3249
H5	1.9632	1.0010	2.8992	2.3249

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.845		O2	C1	H3	113.272
O2	C1	H4	121.535		H3	C1	H4	121.078

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

using model chemistry: LSDA/3-21G*

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	-0.284
2	O	-0.481
3	H	0.211
4	H	0.180
5	H	0.374

	x	y	z	Total
	0.257	1.707	0.180	1.736
CHELPG
AIM
ESP

	x	y	z
x	2.679	0.213	-0.044
y	0.213	2.109	-0.004
z	-0.044	-0.004	0.801

<r²>	20.787
(<r²>)^1/2	4.559

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

using model chemistry: LSDA/3-21G*

States and conformations

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