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	hartrees
Energy at 0K	-114.957065
Energy at 298.15K	-114.959536
HF Energy	-114.957065
Nuclear repulsion energy	34.908597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3753	35.85
2	A	3348	3348	16.63
3	A	3186	3186	15.18
4	A	1515	1515	5.39
5	A	1359	1359	28.38
6	A	1196	1196	108.60
7	A	1058	1058	74.46
8	A	569	569	161.54
9	A	415	415	74.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.698	0.030	-0.059
O2	-0.675	-0.124	0.025
H3	1.236	-0.893	0.077
H4	1.143	0.991	0.166
H5	-1.162	0.711	-0.085

	C1	O2	H3	H4	H5
C1		1.3843	1.0773	1.0831	1.9805
O2	1.3843		2.0612	2.1382	0.9723
H3	1.0773	2.0612		1.8885	2.8896
H4	1.0831	2.1382	1.8885		2.3362
H5	1.9805	0.9723	2.8896	2.3362

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	113.210		O2	C1	H3	113.131
O2	C1	H4	119.635		H3	C1	H4	121.879

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	-0.090
2	O	-0.602
3	H	0.162
4	H	0.134
5	H	0.396

	x	y	z	Total
	0.210	1.875	0.121	1.890
CHELPG
AIM
ESP

	x	y	z
x	2.699	-0.163	0.021
y	-0.163	2.107	-0.011
z	0.021	-0.011	0.959

<r²>	20.779
(<r²>)^1/2	4.558

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)