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	hartrees
Energy at 0K	-114.293548
Energy at 298.15K	-114.296031
HF Energy	-114.293548
Nuclear repulsion energy	34.695718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3573	3430	13.42
2	A	3303	3171	21.78
3	A	3147	3021	16.74
4	A	1518	1457	3.47
5	A	1380	1325	32.19
6	A	1169	1122	59.40
7	A	1054	1012	73.41
8	A	583	560	135.82
9	A	421	405	82.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.699	0.030	-0.065
O2	-0.683	-0.126	0.028
H3	1.235	-0.897	0.076
H4	1.163	0.979	0.189
H5	-1.130	0.746	-0.102

	C1	O2	H3	H4	H5
C1		1.3931	1.0805	1.0865	1.9638
O2	1.3931		2.0677	2.1571	0.9885
H3	1.0805	2.0677		1.8806	2.8852
H4	1.0865	2.1571	1.8806		2.3229
H5	1.9638	0.9885	2.8852	2.3229

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.924		O2	C1	H3	112.810
O2	C1	H4	120.401		H3	C1	H4	120.416

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

using model chemistry: HSEh1PBE/3-21G*

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	-0.230
2	O	-0.540
3	H	0.213
4	H	0.182
5	H	0.374

	x	y	z	Total
	0.046	1.704	0.167	1.713
CHELPG
AIM
ESP

	x	y	z
x	2.602	-0.207	0.041
y	-0.207	2.047	-0.005
z	0.041	-0.005	0.797

<r²>	20.788
(<r²>)^1/2	4.559

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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