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	hartrees
Energy at 0K	-114.920264
Energy at 298.15K	-114.922832
HF Energy	-114.920264
Nuclear repulsion energy	35.332729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3651	42.86
2	A	3300	3146	23.35
3	A	3155	3007	26.21
4	A	1513	1442	11.40
5	A	1389	1324	33.98
6	A	1252	1193	95.50
7	A	1078	1027	48.77
8	A	675	643	64.64
9	A	446	425	104.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.029	-0.077
O2	-0.668	-0.125	0.029
H3	1.225	-0.890	0.109
H4	1.122	0.982	0.210
H5	-1.090	0.734	-0.092

	C1	O2	H3	H4	H5
C1		1.3617	1.0835	1.0885	1.9064
O2	1.3617		2.0424	2.1122	0.9653
H3	1.0835	2.0424		1.8774	2.8346
H4	1.0885	2.1122	1.8774		2.2462
H5	1.9064	0.9653	2.8346	2.2462

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.828		O2	C1	H3	112.795
O2	C1	H4	118.672		H3	C1	H4	119.615

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

using model chemistry: PBE1PBE/6-31G**

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	-0.195
2	O	-0.552
3	H	0.173
4	H	0.149
5	H	0.425

	x	y	z	Total
	-0.025	1.551	0.203	1.564
CHELPG
AIM
ESP

	x	y	z
x	2.648	-0.142	0.060
y	-0.142	2.241	0.009
z	0.060	0.009	1.181

<r²>	20.316
(<r²>)^1/2	4.507

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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