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	hartrees
Energy at 0K	-114.861785
Energy at 298.15K	-114.864286
HF Energy	-114.794695
Nuclear repulsion energy	34.671169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3687	21.37
2	A	3349	3349	20.97
3	A	3181	3181	18.37
4	A	1519	1519	5.63
5	A	1367	1367	30.34
6	A	1144	1144	68.54
7	A	1056	1056	83.03
8	A	609	609	116.05
9	A	427	427	106.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.705	0.030	-0.065
O2	-0.683	-0.124	0.027
H3	1.235	-0.897	0.084
H4	1.152	0.987	0.183
H5	-1.154	0.721	-0.093

	C1	O2	H3	H4	H5
C1		1.3994	1.0783	1.0846	1.9836
O2	1.3994		2.0689	2.1502	0.9749
H3	1.0783	2.0689		1.8879	2.8912
H4	1.0846	2.1502	1.8879		2.3376
H5	1.9836	0.9749	2.8912	2.3376

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	112.094		O2	C1	H3	112.593
O2	C1	H4	119.373		H3	C1	H4	121.580

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

using model chemistry: B2PLYP/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	-0.070
2	O	-0.585
3	H	0.149
4	H	0.122
5	H	0.384

	x	y	z	Total
	0.246	1.825	0.132	1.847
CHELPG
AIM
ESP

	x	y	z
x	2.729	-0.165	0.040
y	-0.165	2.137	-0.012
z	0.040	-0.012	0.944

<r²>	20.996
(<r²>)^1/2	4.582

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

using model chemistry: B2PLYP/6-31G

States and conformations

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