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	hartrees
Energy at 0K	-115.039164
Energy at 298.15K	-115.041725
HF Energy	-115.039164
Nuclear repulsion energy	35.356455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3830	3687	31.50
2	A	3261	3139	24.27
3	A	3113	2997	29.73
4	A	1498	1442	8.64
5	A	1383	1331	36.45
6	A	1228	1182	100.33
7	A	1078	1037	49.61
8	A	644	620	85.88
9	A	457	440	97.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.682	0.029	-0.074
O2	-0.667	-0.125	0.027
H3	1.224	-0.890	0.108
H4	1.121	0.985	0.201
H5	-1.098	0.727	-0.084

	C1	O2	H3	H4	H5
C1		1.3615	1.0822	1.0875	1.9120
O2	1.3615		2.0414	2.1116	0.9612
H3	1.0822	2.0414		1.8800	2.8360
H4	1.0875	2.1116	1.8800		2.2520
H5	1.9120	0.9612	2.8360	2.2520

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.606		O2	C1	H3	112.815
O2	C1	H4	118.710		H3	C1	H4	120.111

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

using model chemistry: B3PW91/6-311G*

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	-0.335
2	O	-0.483
3	H	0.219
4	H	0.195
5	H	0.404

	x	y	z	Total
	-0.056	1.629	0.236	1.647
CHELPG
AIM
ESP

	x	y	z
x	2.762	-0.124	0.048
y	-0.124	2.291	0.000
z	0.048	0.000	1.527

<r²>	20.434
(<r²>)^1/2	4.520

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

using model chemistry: B3PW91/6-311G*

States and conformations

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