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	hartrees
Energy at 0K	-114.467568
Energy at 298.15K	-114.470042
HF Energy	-114.467568
Nuclear repulsion energy	35.434489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3749	3689	53.35
2	A	3208	3156	10.48
3	A	3065	3016	14.99
4	A	1429	1406	5.85
5	A	1325	1304	13.07
6	A	1247	1227	89.69
7	A	1021	1005	48.05
8	A	548	540	104.98
9	A	437	430	46.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.674	0.028	-0.067
O2	0.663	-0.127	0.023
H3	-1.231	-0.894	0.104
H4	-1.120	0.999	0.174
H5	1.089	0.741	-0.062

	C1	O2	H3	H4	H5
C1		1.3495	1.0913	1.0949	1.9020
O2	1.3495		2.0456	2.1148	0.9709
H3	1.0913	2.0456		1.8978	2.8438
H4	1.0949	2.1148	1.8978		2.2373
H5	1.9020	0.9709	2.8438	2.2373

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.024		O2	C1	H3	113.458
O2	C1	H4	119.445		H3	C1	H4	120.464

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.328
2	O	-0.283
3	H	0.149
4	H	0.131
5	H	0.331

	x	y	z	Total
	0.324	1.426	0.243	1.482
CHELPG
AIM
ESP

	x	y	z
x	2.907	0.153	-0.049
y	0.153	2.479	0.009
z	-0.049	0.009	1.522

<r²>	20.271
(<r²>)^1/2	4.502

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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