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	hartrees
Energy at 0K	-115.010053
Energy at 298.15K	-115.012571
HF Energy	-115.010053
Nuclear repulsion energy	35.328759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3917	3730	79.99
2	A	3303	3145	12.62
3	A	3159	3008	24.22
4	A	1502	1431	12.83
5	A	1349	1285	24.94
6	A	1245	1186	134.28
7	A	1058	1007	52.55
8	A	643	612	79.89
9	A	414	394	96.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.683	0.029	-0.071
O2	-0.667	-0.125	0.026
H3	1.230	-0.886	0.105
H4	1.116	0.989	0.191
H5	-1.109	0.723	-0.079

	C1	O2	H3	H4	H5
C1		1.3628	1.0808	1.0850	1.9225
O2	1.3628		2.0460	2.1091	0.9628
H3	1.0808	2.0460		1.8808	2.8459
H4	1.0850	2.1091	1.8808		2.2571
H5	1.9225	0.9628	2.8459	2.2571

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.329		O2	C1	H3	113.200
O2	C1	H4	118.558		H3	C1	H4	120.545

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

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

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	-0.193
2	O	-0.461
3	H	0.153
4	H	0.133
5	H	0.368

	x	y	z	Total
	0.080	1.650	0.250	1.671
CHELPG
AIM
ESP

	x	y	z
x	3.042	-0.052	-0.030
y	-0.052	2.418	-0.007
z	-0.030	-0.007	2.245

<r²>	20.708
(<r²>)^1/2	4.551

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

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

States and conformations

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