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	hartrees
Energy at 0K	-114.934213
Energy at 298.15K	-114.936744
HF Energy	-114.934213
Nuclear repulsion energy	35.313917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3857	3708	59.19
2	A	3283	3157	16.14
3	A	3133	3013	20.74
4	A	1471	1415	12.60
5	A	1370	1317	27.66
6	A	1251	1203	97.83
7	A	1054	1013	42.12
8	A	613	589	74.93
9	A	441	424	71.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.028	-0.071
O2	-0.669	-0.126	0.024
H3	1.231	-0.896	0.111
H4	1.126	0.994	0.186
H5	-1.082	0.741	-0.067

	C1	O2	H3	H4	H5
C1		1.3596	1.0910	1.0952	1.8996
O2	1.3596		2.0513	2.1211	0.9645
H3	1.0910	2.0513		1.8945	2.8386
H4	1.0952	2.1211	1.8945		2.2360
H5	1.8996	0.9645	2.8386	2.2360

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.446		O2	C1	H3	113.201
O2	C1	H4	119.157		H3	C1	H4	120.117

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

using model chemistry: PBE1PBE/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	-0.066
2	O	-0.189
3	H	0.056
4	H	0.041
5	H	0.159

	x	y	z	Total
	-0.128	1.458	0.226	1.481
CHELPG
AIM
ESP

	x	y	z
x	2.732	-0.138	0.056
y	-0.138	2.308	0.009
z	0.056	0.009	1.359

<r²>	20.366
(<r²>)^1/2	4.513

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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