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	hartrees
Energy at 0K	-115.000968
Energy at 298.15K	-115.003519
HF Energy	-115.000968
Nuclear repulsion energy	35.347983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3915	3721	57.10
2	A	3286	3123	23.12
3	A	3144	2988	26.44
4	A	1513	1438	13.13
5	A	1369	1301	31.70
6	A	1257	1195	110.37
7	A	1070	1017	53.21
8	A	698	664	49.98
9	A	418	397	107.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.682	0.029	-0.078
O2	-0.668	-0.125	0.028
H3	1.227	-0.885	0.116
H4	1.118	0.982	0.209
H5	-1.095	0.730	-0.084

	C1	O2	H3	H4	H5
C1		1.3623	1.0818	1.0863	1.9103
O2	1.3623		2.0430	2.1086	0.9626
H3	1.0818	2.0430		1.8724	2.8356
H4	1.0863	2.1086	1.8724		2.2468
H5	1.9103	0.9626	2.8356	2.2468

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.306		O2	C1	H3	112.919
O2	C1	H4	118.458		H3	C1	H4	119.451

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

using model chemistry: M06-2X/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	-0.069
2	O	-0.502
3	H	0.126
4	H	0.102
5	H	0.343

	x	y	z	Total
	0.026	1.555	0.188	1.567
CHELPG
AIM
ESP

	x	y	z
x	2.677	-0.149	0.054
y	-0.149	2.289	0.008
z	0.054	0.008	1.217

<r²>	20.324
(<r²>)^1/2	4.508

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

using model chemistry: M06-2X/6-31G**

States and conformations

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