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	hartrees
Energy at 0K	-115.114164
Energy at 298.15K	-115.116604
HF Energy	-115.114164
Nuclear repulsion energy	35.316318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3823	3698	62.30
2	A	3275	3168	8.86
3	A	3135	3033	18.16
4	A	1482	1434	8.47
5	A	1356	1312	28.84
6	A	1199	1160	109.06
7	A	1053	1018	47.00
8	A	522	505	122.33
9	A	409	395	24.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.028	-0.057
O2	-0.670	-0.126	0.019
H3	1.237	-0.885	0.093
H4	1.117	0.996	0.148
H5	-1.103	0.730	-0.051

	C1	O2	H3	H4	H5
C1		1.3649	1.0772	1.0806	1.9208
O2	1.3649		2.0533	2.1137	0.9619
H3	1.0772	2.0533		1.8863	2.8469
H4	1.0806	2.1137	1.8863		2.2449
H5	1.9208	0.9619	2.8469	2.2449

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.079		O2	C1	H3	113.930
O2	C1	H4	119.155		H3	C1	H4	121.892

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	-0.593
2	O	-0.296
3	H	0.374
4	H	0.347
5	H	0.169

	x	y	z	Total
	-0.080	1.450	0.231	1.471
CHELPG
AIM
ESP

	x	y	z
x	3.653	-0.065	-0.031
y	-0.065	3.015	-0.011
z	-0.031	-0.011	3.020

<r²>	20.782
(<r²>)^1/2	4.559

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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