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	hartrees
Energy at 0K	-115.029085
Energy at 298.15K	-115.031622
HF Energy	-115.029085
Nuclear repulsion energy	35.370963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3905	3716	45.80
2	A	3302	3142	21.53
3	A	3155	3002	23.93
4	A	1510	1437	10.95
5	A	1376	1309	31.42
6	A	1250	1189	97.36
7	A	1071	1019	51.59
8	A	641	610	68.25
9	A	434	413	96.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.681	0.029	-0.072
O2	0.668	-0.125	0.028
H3	-1.227	-0.888	0.103
H4	-1.122	0.984	0.198
H5	1.089	0.731	-0.087

	C1	O2	H3	H4	H5
C1		1.3612	1.0817	1.0861	1.9046
O2	1.3612		2.0447	2.1123	0.9609
H3	1.0817	2.0447		1.8772	2.8330
H4	1.0861	2.1123	1.8772		2.2440
H5	1.9046	0.9609	2.8330	2.2440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.997		O2	C1	H3	113.159
O2	C1	H4	118.907		H3	C1	H4	119.982

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

using model chemistry: mPW1PW91/6-31G**

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	-0.103
2	O	-0.477
3	H	0.134
4	H	0.111
5	H	0.336

	x	y	z	Total
	0.014	1.534	0.185	1.546
CHELPG
AIM
ESP

	x	y	z
x	2.678	0.144	-0.056
y	0.144	2.261	0.009
z	-0.056	0.009	1.206

<r²>	20.268
(<r²>)^1/2	4.502

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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