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	hartrees
Energy at 0K	-114.933204
Energy at 298.15K	-114.935660
HF Energy	-114.933204
Nuclear repulsion energy	35.001749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3687	49.64
2	A	3224	3188	11.41
3	A	3076	3041	21.88
4	A	1440	1424	8.17
5	A	1314	1299	19.03
6	A	1181	1167	103.28
7	A	1021	1009	50.65
8	A	553	547	137.97
9	A	422	417	44.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	0.028	-0.065
O2	-0.675	-0.127	0.024
H3	1.237	-0.900	0.096
H4	1.131	1.000	0.176
H5	-1.104	0.742	-0.073

	C1	O2	H3	H4	H5
C1		1.3757	1.0900	1.0943	1.9298
O2	1.3757		2.0637	2.1341	0.9740
H3	1.0900	2.0637		1.9044	2.8645
H4	1.0943	2.1341	1.9044		2.2636
H5	1.9298	0.9740	2.8645	2.2636

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.239		O2	C1	H3	113.134
O2	C1	H4	119.100		H3	C1	H4	121.345

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

using model chemistry: PBEPBEultrafine/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	-0.267
2	O	-0.382
3	H	0.157
4	H	0.141
5	H	0.351

	x	y	z	Total
	-0.083	1.603	0.279	1.629
CHELPG
AIM
ESP

	x	y	z
x	3.336	-0.032	-0.036
y	-0.032	2.519	-0.016
z	-0.036	-0.016	2.646

<r²>	21.076
(<r²>)^1/2	4.591

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

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

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