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	hartrees
Energy at 0K	-114.944643
Energy at 298.15K	-114.947187
HF Energy	-114.944643
Nuclear repulsion energy	35.066052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3679	3640	20.68
2	A	3183	3150	25.88
3	A	3035	3003	30.36
4	A	1450	1435	6.15
5	A	1350	1336	30.94
6	A	1182	1170	82.17
7	A	1048	1037	49.26
8	A	625	618	92.72
9	A	464	460	83.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.687	0.029	-0.076
O2	0.673	-0.126	0.027
H3	-1.227	-0.899	0.114
H4	-1.131	0.990	0.206
H5	1.097	0.742	-0.081

	C1	O2	H3	H4	H5
C1		1.3732	1.0898	1.0953	1.9217
O2	1.3732		2.0529	2.1290	0.9722
H3	1.0898	2.0529		1.8930	2.8515
H4	1.0953	2.1290	1.8930		2.2604
H5	1.9217	0.9722	2.8515	2.2604

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.836		O2	C1	H3	112.411
O2	C1	H4	118.755		H3	C1	H4	120.072

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

using model chemistry: PBEPBE/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	-0.347
2	O	-0.443
3	H	0.211
4	H	0.188
5	H	0.391

	x	y	z	Total
	0.170	1.584	0.269	1.616
CHELPG
AIM
ESP

	x	y	z
x	2.908	0.128	-0.054
y	0.128	2.398	0.004
z	-0.054	0.004	1.578

<r²>	20.714
(<r²>)^1/2	4.551

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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