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	hartrees
Energy at 0K	-114.948721
Energy at 298.15K	-114.951209
HF Energy	-114.948721
Nuclear repulsion energy	35.343117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3899	3723	65.94
2	A	3315	3165	11.54
3	A	3166	3022	22.66
4	A	1493	1426	11.44
5	A	1355	1293	23.89
6	A	1237	1181	121.55
7	A	1056	1009	51.41
8	A	582	556	114.42
9	A	420	401	71.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.682	0.029	-0.065
O2	0.668	-0.125	0.025
H3	-1.232	-0.890	0.092
H4	-1.120	0.993	0.177
H5	1.103	0.726	-0.080

	C1	O2	H3	H4	H5
C1		1.3615	1.0818	1.0860	1.9166
O2	1.3615		2.0486	2.1135	0.9619
H3	1.0818	2.0486		1.8879	2.8446
H4	1.0860	2.1135	1.8879		2.2532
H5	1.9166	0.9619	2.8446	2.2532

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.964		O2	C1	H3	113.458
O2	C1	H4	118.995		H3	C1	H4	121.123

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.230
2	O	-0.424
3	H	0.157
4	H	0.139
5	H	0.359

	x	y	z	Total
	-0.036	1.634	0.232	1.651
CHELPG
AIM
ESP

	x	y	z
x	3.086	0.043	0.028
y	0.043	2.402	-0.007
z	0.028	-0.007	2.321

<r²>	20.694
(<r²>)^1/2	4.549

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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