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	hartrees
Energy at 0K	-115.122756
Energy at 298.15K	-115.125191
HF Energy	-115.122756
Nuclear repulsion energy	35.349354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3712	63.00
2	A	3276	3174	8.80
3	A	3135	3037	18.05
4	A	1484	1438	8.37
5	A	1357	1315	28.70
6	A	1200	1162	108.77
7	A	1054	1021	47.66
8	A	518	502	125.66
9	A	408	396	20.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.028	-0.056
O2	-0.669	-0.126	0.019
H3	1.236	-0.885	0.091
H4	1.116	0.996	0.146
H5	-1.103	0.729	-0.051

	C1	O2	H3	H4	H5
C1		1.3635	1.0766	1.0800	1.9191
O2	1.3635		2.0522	2.1120	0.9606
H3	1.0766	2.0522		1.8857	2.8449
H4	1.0800	2.1120	1.8857		2.2432
H5	1.9191	0.9606	2.8449	2.2432

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.116		O2	C1	H3	113.977
O2	C1	H4	119.161		H3	C1	H4	121.946

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	-0.433
2	O	-0.580
3	H	0.363
4	H	0.321
5	H	0.329

	x	y	z	Total
	-0.083	1.448	0.227	1.468
CHELPG
AIM
ESP

	x	y	z
x	3.677	-0.062	-0.032
y	-0.062	3.031	-0.011
z	-0.032	-0.011	3.054

<r²>	20.753
(<r²>)^1/2	4.556

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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