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	hartrees
Energy at 0K	-114.925524
Energy at 298.15K	-114.928030
HF Energy	-114.925524
Nuclear repulsion energy	34.970495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3675	3654	38.53
2	A	3186	3167	19.26
3	A	3036	3019	21.77
4	A	1415	1407	8.57
5	A	1330	1322	23.37
6	A	1193	1186	78.19
7	A	1017	1011	41.52
8	A	589	585	80.22
9	A	447	444	58.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.028	-0.073
O2	-0.676	-0.127	0.024
H3	1.234	-0.906	0.117
H4	1.139	0.999	0.190
H5	-1.082	0.757	-0.063

	C1	O2	H3	H4	H5
C1		1.3739	1.0994	1.1038	1.9125
O2	1.3739		2.0650	2.1420	0.9768
H3	1.0994	2.0650		1.9091	2.8572
H4	1.1038	2.1420	1.9091		2.2479
H5	1.9125	0.9768	2.8572	2.2479

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	107.694		O2	C1	H3	112.745
O2	C1	H4	119.255		H3	C1	H4	120.122

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

using model chemistry: PBEPBEultrafine/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	-0.073
2	O	-0.152
3	H	0.044
4	H	0.029
5	H	0.153

	x	y	z	Total
	-0.263	1.406	0.258	1.453
CHELPG
AIM
ESP

	x	y	z
x	2.888	-0.150	0.062
y	-0.150	2.420	0.009
z	0.062	0.009	1.392

<r²>	20.658
(<r²>)^1/2	4.545

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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