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	hartrees
Energy at 0K	-114.949431
Energy at 298.15K	-114.952003
HF Energy	-114.847432
Nuclear repulsion energy	35.179917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3830	3668	53.63
2	A	3288	3148	19.80
3	A	3138	3005	23.32
4	A	1486	1423	11.16
5	A	1377	1319	29.51
6	A	1225	1173	90.62
7	A	1062	1017	43.34
8	A	661	633	62.43
9	A	459	439	78.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.028	-0.075
O2	-0.672	-0.126	0.025
H3	1.230	-0.896	0.119
H4	1.127	0.991	0.197
H5	-1.080	0.745	-0.068

	C1	O2	H3	H4	H5
C1		1.3684	1.0902	1.0946	1.9044
O2	1.3684		2.0547	2.1246	0.9661
H3	1.0902	2.0547		1.8911	2.8401
H4	1.0946	2.1246	1.8911		2.2367
H5	1.9044	0.9661	2.8401	2.2367

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.091		O2	C1	H3	112.895
O2	C1	H4	118.800		H3	C1	H4	119.895

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

using model chemistry: B2PLYP/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	-0.029
2	O	-0.196
3	H	0.042
4	H	0.026
5	H	0.157

	x	y	z	Total
	-0.092	1.457	0.233	1.478
CHELPG
AIM
ESP

	x	y	z
x	2.757	-0.143	0.058
y	-0.143	2.313	0.008
z	0.058	0.008	1.346

<r²>	20.519
(<r²>)^1/2	4.530

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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