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	hartrees
Energy at 0K	-114.943605
Energy at 298.15K	-114.946002
HF Energy	-114.943605
Nuclear repulsion energy	34.965745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3709	3686	48.96
2	A	3225	3206	9.16
3	A	3073	3054	19.13
4	A	1414	1405	7.91
5	A	1317	1309	23.15
6	A	1173	1166	97.60
7	A	1013	1007	39.90
8	A	498	495	137.88
9	A	396	393	6.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.689	0.027	-0.057
O2	-0.676	-0.127	0.019
H3	1.244	-0.903	0.091
H4	1.131	1.010	0.150
H5	-1.098	0.747	-0.053

	C1	O2	H3	H4	H5
C1		1.3761	1.0939	1.0975	1.9264
O2	1.3761		2.0724	2.1398	0.9737
H3	1.0939	2.0724		1.9176	2.8688
H4	1.0975	2.1398	1.9176		2.2540
H5	1.9264	0.9737	2.8688	2.2540

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.926		O2	C1	H3	113.586
O2	C1	H4	119.346		H3	C1	H4	122.107

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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	0.697
2	O	-0.270
3	H	-0.314
4	H	-0.243
5	H	0.131

	x	y	z	Total
	-0.165	1.417	0.241	1.447
CHELPG
AIM
ESP

	x	y	z
x	3.804	-0.068	-0.021
y	-0.068	3.114	-0.011
z	-0.021	-0.011	3.176

<r²>	21.120
(<r²>)^1/2	4.596

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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