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	hartrees
Energy at 0K	-112.916111
Energy at 298.15K	-112.918678
HF Energy	-112.916111
Nuclear repulsion energy	34.718233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4247	3468	13.79
2	A	3762	3071	2.38
3	A	3581	2924	2.62
4	A	1750	1429	24.71
5	A	1670	1363	21.48
6	A	1350	1102	25.45
7	A	1192	973	25.43
8	A	880	718	9.87
9	A	429	350	72.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.694	0.030	-0.089
O2	-0.686	-0.128	0.038
H3	1.248	-0.885	0.103
H4	1.141	0.959	0.264
H5	-1.067	0.768	-0.139

	C1	O2	H3	H4	H5
C1		1.3942	1.0871	1.0897	1.9093
O2	1.3942		2.0777	2.1375	0.9896
H3	1.0871	2.0777		1.8541	2.8546
H4	1.0897	2.1375	1.8541		2.2520
H5	1.9093	0.9896	2.8546	2.2520

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	105.175		O2	C1	H3	113.139
O2	C1	H4	118.245		H3	C1	H4	116.809

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

using model chemistry: HF/STO-3G

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	-0.015
2	O	-0.276
3	H	0.056
4	H	0.043
5	H	0.192

	x	y	z	Total
	0.336	1.331	-0.035	1.373
CHELPG
AIM
ESP

	x	y	z
x	1.510	-0.283	0.067
y	-0.283	1.239	-0.027
z	0.067	-0.027	0.339

<r²>	20.210
(<r²>)^1/2	4.496

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

using model chemistry: HF/STO-3G

States and conformations

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