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	hartrees
Energy at 0K	-114.978797
Energy at 298.15K	-114.981243
HF Energy	-114.978797
Nuclear repulsion energy	35.452832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3883	3734	67.84
2	A	3291	3164	8.48
3	A	3150	3028	18.85
4	A	1483	1426	9.76
5	A	1363	1310	25.55
6	A	1234	1187	115.05
7	A	1054	1014	45.88
8	A	528	508	116.40
9	A	406	390	30.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.027	-0.058
O2	-0.666	-0.126	0.019
H3	1.235	-0.885	0.093
H4	1.115	0.997	0.150
H5	-1.095	0.729	-0.052

	C1	O2	H3	H4	H5
C1		1.3567	1.0791	1.0826	1.9079
O2	1.3567		2.0493	2.1092	0.9589
H3	1.0791	2.0493		1.8864	2.8385
H4	1.0826	2.1092	1.8864		2.2345
H5	1.9079	0.9589	2.8385	2.2345

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.766		O2	C1	H3	114.077
O2	C1	H4	119.270		H3	C1	H4	121.541

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

using model chemistry: PBE1PBE/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	-0.637
2	O	-0.273
3	H	0.383
4	H	0.356
5	H	0.171

	x	y	z	Total
	-0.091	1.449	0.232	1.470
CHELPG
AIM
ESP

	x	y	z
x	3.567	-0.063	-0.031
y	-0.063	2.967	-0.010
z	-0.031	-0.010	2.943

<r²>	20.601
(<r²>)^1/2	4.539

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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