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	hartrees
Energy at 0K	-114.989253
Energy at 298.15K	-114.991694
HF Energy	-114.989253
Nuclear repulsion energy	35.446274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3878	3730	67.12
2	A	3293	3167	8.54
3	A	3151	3031	18.89
4	A	1483	1426	9.52
5	A	1363	1311	26.27
6	A	1230	1183	114.65
7	A	1055	1014	45.88
8	A	525	505	117.42
9	A	404	388	29.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.027	-0.057
O2	-0.667	-0.126	0.019
H3	1.236	-0.885	0.092
H4	1.115	0.996	0.149
H5	-1.096	0.729	-0.052

	C1	O2	H3	H4	H5
C1		1.3573	1.0786	1.0820	1.9091
O2	1.3573		2.0495	2.1094	0.9588
H3	1.0786	2.0495		1.8860	2.8390
H4	1.0820	2.1094	1.8860		2.2356
H5	1.9091	0.9588	2.8390	2.2356

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.826		O2	C1	H3	114.088
O2	C1	H4	119.279		H3	C1	H4	121.593

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	-0.606
2	O	-0.281
3	H	0.371
4	H	0.345
5	H	0.171

	x	y	z	Total
	-0.084	1.449	0.228	1.470
CHELPG
AIM
ESP

	x	y	z
x	3.567	-0.064	-0.030
y	-0.064	2.966	-0.009
z	-0.030	-0.009	2.940

<r²>	20.609
(<r²>)^1/2	4.540

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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