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	hartrees
Energy at 0K	-114.375382
Energy at 298.15K	-114.377869
HF Energy	-114.375382
Nuclear repulsion energy	34.200518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3329	3307	2.50
2	A	3185	3164	27.18
3	A	3030	3011	21.36
4	A	1474	1465	3.74
5	A	1345	1337	29.72
6	A	1093	1086	25.02
7	A	1014	1008	72.81
8	A	589	585	116.89
9	A	442	439	73.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.710	0.030	-0.072
O2	-0.694	-0.128	0.029
H3	1.238	-0.908	0.091
H4	1.180	0.979	0.207
H5	-1.125	0.773	-0.100

	C1	O2	H3	H4	H5
C1		1.4174	1.0884	1.0949	1.9807
O2	1.4174		2.0848	2.1840	1.0074
H3	1.0884	2.0848		1.8913	2.9066
H4	1.0949	2.1840	1.8913		2.3346
H5	1.9807	1.0074	2.9066	2.3346

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.360		O2	C1	H3	111.943
O2	C1	H4	120.217		H3	C1	H4	120.045

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

using model chemistry: BLYP/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	-0.205
2	O	-0.465
3	H	0.178
4	H	0.149
5	H	0.343

	x	y	z	Total
	-0.121	1.587	0.245	1.610
CHELPG
AIM
ESP

	x	y	z
x	2.765	-0.233	0.050
y	-0.233	2.166	-0.007
z	0.050	-0.007	0.824

<r²>	21.195
(<r²>)^1/2	4.604

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

using model chemistry: BLYP/3-21G*

States and conformations

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