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	hartrees
Energy at 0K	-23.364580
Energy at 298.15K	-23.367107
HF Energy	-23.364580
Nuclear repulsion energy	21.155668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3791	3675	29.06
2	A	3238	3139	29.92
3	A	3087	2992	34.27
4	A	1484	1438	12.76
5	A	1361	1319	37.03
6	A	1180	1144	102.81
7	A	1059	1027	50.32
8	A	644	624	73.74
9	A	431	418	98.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.693	0.036	-0.094
O2	-0.671	-0.163	0.034
H3	1.269	-0.868	0.083
H4	1.103	1.012	0.177
H5	-1.122	0.687	-0.088

	C1	O2	H3	H4	H5
C1		1.3847	1.0866	1.0919	1.9283
O2	1.3847		2.0648	2.1321	0.9699
H3	1.0866	2.0648		1.8893	2.8573
H4	1.0919	2.1321	1.8893		2.2638
H5	1.9283	0.9699	2.8573	2.2638

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.681		O2	C1	H3	112.786
O2	C1	H4	118.353		H3	C1	H4	120.272

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

using model chemistry: B3LYP/CEP-121G*

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	-0.254
2	O	-0.461
3	H	0.163
4	H	0.140
5	H	0.411

	x	y	z	Total
	-0.020	1.602	0.227	1.618
CHELPG
AIM
ESP

	x	y	z
x	2.958	-0.106	0.030
y	-0.106	2.476	-0.002
z	0.030	-0.002	1.761

<r²>	18.938
(<r²>)^1/2	4.352

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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