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	hartrees
Energy at 0K	-114.921301
Energy at 298.15K	-114.923820
HF Energy	-114.921301
Nuclear repulsion energy	35.014602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3722	3671	28.21
2	A	3204	3160	22.85
3	A	3057	3015	24.43
4	A	1452	1432	7.63
5	A	1336	1318	26.43
6	A	1194	1177	75.96
7	A	1033	1019	49.90
8	A	621	612	72.39
9	A	442	436	83.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.688	0.028	-0.075
O2	0.676	-0.126	0.027
H3	-1.232	-0.899	0.111
H4	-1.135	0.989	0.205
H5	1.087	0.750	-0.083

	C1	O2	H3	H4	H5
C1		1.3757	1.0912	1.0960	1.9154
O2	1.3757		2.0594	2.1336	0.9740
H3	1.0912	2.0594		1.8927	2.8514
H4	1.0960	2.1336	1.8927		2.2528
H5	1.9154	0.9740	2.8514	2.2528

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	107.986		O2	C1	H3	112.689
O2	C1	H4	118.929		H3	C1	H4	119.848

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

using model chemistry: PBEPBE/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	-0.113
2	O	-0.429
3	H	0.121
4	H	0.099
5	H	0.322

	x	y	z	Total
	0.153	1.478	0.231	1.504
CHELPG
AIM
ESP

	x	y	z
x	2.829	0.157	-0.058
y	0.157	2.366	0.007
z	-0.058	0.007	1.233

<r²>	20.571
(<r²>)^1/2	4.536

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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