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	hartrees
Energy at 0K	-114.960316
Energy at 298.15K	-114.962885
HF Energy	-114.960316
Nuclear repulsion energy	35.406272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3856	3700	33.44
2	A	3276	3143	24.00
3	A	3128	3002	29.83
4	A	1502	1442	9.38
5	A	1389	1333	37.52
6	A	1239	1189	102.97
7	A	1082	1038	49.08
8	A	652	626	82.43
9	A	459	441	100.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.029	-0.074
O2	-0.666	-0.124	0.028
H3	1.223	-0.889	0.108
H4	1.119	0.985	0.202
H5	-1.097	0.726	-0.085

	C1	O2	H3	H4	H5
C1		1.3591	1.0818	1.0871	1.9090
O2	1.3591		2.0395	2.1088	0.9595
H3	1.0818	2.0395		1.8788	2.8330
H4	1.0871	2.1088	1.8788		2.2495
H5	1.9090	0.9595	2.8330	2.2495

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.632		O2	C1	H3	112.846
O2	C1	H4	118.683		H3	C1	H4	120.047

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

using model chemistry: HSEh1PBE/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	-0.485
3	H	0.221
4	H	0.198
5	H	0.406

	x	y	z	Total
	-0.051	1.628	0.229	1.645
CHELPG
AIM
ESP

	x	y	z
x	2.741	-0.123	0.050
y	-0.123	2.284	0.003
z	0.050	0.003	1.522

<r²>	20.411
(<r²>)^1/2	4.518

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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