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	hartrees
Energy at 0K	-115.053673
Energy at 298.15K	-115.056204
HF Energy	-115.053673
Nuclear repulsion energy	35.407044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3928	3757	58.89
2	A	3280	3137	18.65
3	A	3134	2998	22.84
4	A	1503	1438	8.99
5	A	1380	1320	31.25
6	A	1242	1188	102.10
7	A	1080	1033	47.63
8	A	602	576	100.49
9	A	443	423	65.80

Atom	x (Å)	y (Å)	z (Å)
C1	-0.680	0.029	-0.074
O2	0.667	-0.124	0.031
H3	-1.227	-0.891	0.091
H4	-1.125	0.982	0.209
H5	1.090	0.723	-0.110

	C1	O2	H3	H4	H5
C1		1.3598	1.0829	1.0886	1.9018
O2	1.3598		2.0451	2.1129	0.9571
H3	1.0829	2.0451		1.8786	2.8315
H4	1.0886	2.1129	1.8786		2.2529
H5	1.9018	0.9571	2.8315	2.2529

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.098		O2	C1	H3	113.206
O2	C1	H4	118.886		H3	C1	H4	119.785

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

using model chemistry: wB97X-D/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	-0.178
2	O	-0.310
3	H	0.125
4	H	0.105
5	H	0.258

	x	y	z	Total
	0.022	1.552	0.233	1.570
CHELPG
AIM
ESP

	x	y	z
x	2.785	0.123	-0.042
y	0.123	2.337	0.005
z	-0.042	0.005	1.599

<r²>	20.364
(<r²>)^1/2	4.513

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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