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	hartrees
Energy at 0K	-114.452311
Energy at 298.15K	-114.454813
HF Energy	-114.452311
Nuclear repulsion energy	35.316510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3621	40.93
2	A	3215	3155	16.36
3	A	3070	3012	19.88
4	A	1455	1428	7.09
5	A	1337	1312	18.30
6	A	1253	1229	93.93
7	A	1037	1017	52.06
8	A	584	573	109.59
9	A	447	439	74.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.677	0.029	-0.071
O2	-0.665	-0.127	0.027
H3	1.229	-0.897	0.102
H4	1.125	0.995	0.193
H5	-1.095	0.743	-0.082

	C1	O2	H3	H4	H5
C1		1.3545	1.0921	1.0971	1.9099
O2	1.3545		2.0456	2.1197	0.9767
H3	1.0921	2.0456		1.8971	2.8499
H4	1.0971	2.1197	1.8971		2.2510
H5	1.9099	0.9767	2.8499	2.2510

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.939		O2	C1	H3	113.025
O2	C1	H4	119.304		H3	C1	H4	120.124

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

using model chemistry: LSDA/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	-0.250
2	O	-0.494
3	H	0.171
4	H	0.148
5	H	0.424

	x	y	z	Total
	-0.272	1.560	0.246	1.602
CHELPG
AIM
ESP

	x	y	z
x	2.762	-0.154	0.063
y	-0.154	2.323	0.008
z	0.063	0.008	1.192

<r²>	20.363
(<r²>)^1/2	4.513

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

using model chemistry: LSDA/6-31G*

States and conformations

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