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	hartrees
Energy at 0K	-114.894023
Energy at 298.15K	-114.896445
HF Energy	-114.894023
Nuclear repulsion energy	34.889865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3567	23.86
2	A	3358	3212	18.52
3	A	3189	3051	16.43
4	A	1507	1442	4.40
5	A	1362	1303	27.32
6	A	1182	1131	89.69
7	A	1052	1006	73.74
8	A	538	514	185.55
9	A	388	371	54.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.697	0.030	-0.056
O2	-0.677	-0.124	0.025
H3	1.236	-0.896	0.068
H4	1.149	0.991	0.159
H5	-1.151	0.717	-0.087

	C1	O2	H3	H4	H5
C1		1.3851	1.0784	1.0844	1.9726
O2	1.3851		2.0637	2.1443	0.9722
H3	1.0784	2.0637		1.8918	2.8859
H4	1.0844	2.1443	1.8918		2.3301
H5	1.9726	0.9722	2.8859	2.3301

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	112.426		O2	C1	H3	113.212
O2	C1	H4	120.026		H3	C1	H4	122.011

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

using model chemistry: HSEh1PBE/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	-0.124
2	O	-0.581
3	H	0.170
4	H	0.144
5	H	0.392

	x	y	z	Total
	0.175	1.839	0.115	1.851
CHELPG
AIM
ESP

	x	y	z
x	2.699	-0.156	0.035
y	-0.156	2.116	-0.011
z	0.035	-0.011	0.955

<r²>	20.766
(<r²>)^1/2	4.557

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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