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	hartrees
Energy at 0K	-114.949951
Energy at 298.15K	-114.952523
HF Energy	-114.949951
Nuclear repulsion energy	35.417112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3863	3702	33.95
2	A	3276	3140	23.58
3	A	3128	2998	29.56
4	A	1503	1440	9.59
5	A	1390	1332	37.13
6	A	1243	1191	103.26
7	A	1083	1038	49.28
8	A	656	629	81.35
9	A	460	441	101.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.029	-0.075
O2	-0.666	-0.124	0.028
H3	1.223	-0.889	0.109
H4	1.119	0.985	0.203
H5	-1.096	0.726	-0.085

	C1	O2	H3	H4	H5
C1		1.3585	1.0821	1.0874	1.9080
O2	1.3585		2.0388	2.1082	0.9594
H3	1.0821	2.0388		1.8788	2.8321
H4	1.0874	2.1082	1.8788		2.2483
H5	1.9080	0.9594	2.8321	2.2483

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.603		O2	C1	H3	112.823
O2	C1	H4	118.656		H3	C1	H4	119.996

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

using model chemistry: PBE1PBE/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	-0.340
2	O	-0.486
3	H	0.221
4	H	0.198
5	H	0.407

	x	y	z	Total
	-0.058	1.628	0.233	1.646
CHELPG
AIM
ESP

	x	y	z
x	2.739	-0.123	0.050
y	-0.123	2.284	0.003
z	0.050	0.003	1.523

<r²>	20.400
(<r²>)^1/2	4.517

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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