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	hartrees
Energy at 0K	-114.415336
Energy at 298.15K	-114.417567
HF Energy	-114.415336
Nuclear repulsion energy	34.900612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3587	3514	22.45
2	A	3283	3216	12.69
3	A	3117	3054	10.53
4	A	1454	1424	1.54
5	A	1318	1291	13.46
6	A	1188	1164	88.75
7	A	1011	991	75.35
8	A	479	469	260.13
9	A	268	263	7.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.029	-0.038
O2	-0.674	-0.126	0.018
H3	1.243	-0.903	0.043
H4	1.156	1.007	0.109
H5	-1.155	0.730	-0.064

	C1	O2	H3	H4	H5
C1		1.3751	1.0869	1.0927	1.9745
O2	1.3751		2.0689	2.1544	0.9852
H3	1.0869	2.0689		1.9138	2.9033
H4	1.0927	2.1544	1.9138		2.3337
H5	1.9745	0.9852	2.9033	2.3337

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	112.512		O2	C1	H3	113.842
O2	C1	H4	121.199		H3	C1	H4	122.813

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	-0.189
2	O	-0.522
3	H	0.171
4	H	0.145
5	H	0.395

	x	y	z	Total
	-0.118	1.857	0.105	1.864
CHELPG
AIM
ESP

	x	y	z
x	2.814	-0.165	0.030
y	-0.165	2.182	-0.009
z	0.030	-0.009	0.964

<r²>	20.786
(<r²>)^1/2	4.559

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)