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	hartrees
Energy at 0K	-114.275172
Energy at 298.15K	-114.277648
HF Energy	-114.275172
Nuclear repulsion energy	34.322808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3383	3352	4.26
2	A	3204	3175	23.86
3	A	3047	3019	18.75
4	A	1469	1456	2.53
5	A	1348	1336	28.92
6	A	1118	1108	35.41
7	A	1018	1009	68.36
8	A	570	565	142.22
9	A	435	431	64.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.706	0.030	-0.069
O2	-0.691	-0.128	0.029
H3	1.238	-0.909	0.084
H4	1.178	0.982	0.199
H5	-1.121	0.771	-0.100

	C1	O2	H3	H4	H5
C1		1.4093	1.0894	1.0960	1.9718
O2	1.4093		2.0819	2.1807	1.0045
H3	1.0894	2.0819		1.8946	2.9016
H4	1.0960	2.1807	1.8946		2.3285
H5	1.9718	1.0045	2.9016	2.3285

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.379		O2	C1	H3	112.219
O2	C1	H4	120.506		H3	C1	H4	120.211

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

using model chemistry: PBEPBEultrafine/3-21G

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	-0.250
2	O	-0.481
3	H	0.202
4	H	0.172
5	H	0.358

	x	y	z	Total
	-0.112	1.626	0.233	1.647
CHELPG
AIM
ESP

	x	y	z
x	2.733	-0.216	0.044
y	-0.216	2.147	-0.006
z	0.044	-0.006	0.827

<r²>	21.090
(<r²>)^1/2	4.592

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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