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	hartrees
Energy at 0K	-115.067474
Energy at 298.15K	-115.069963
HF Energy	-115.067474
Nuclear repulsion energy	35.451075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3914	3742	60.06
2	A	3290	3146	13.90
3	A	3148	3009	20.20
4	A	1501	1435	8.31
5	A	1375	1314	30.82
6	A	1240	1185	100.83
7	A	1074	1026	47.74
8	A	564	539	101.62
9	A	421	403	48.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.680	0.029	-0.072
O2	0.667	-0.124	0.031
H3	-1.231	-0.887	0.089
H4	-1.121	0.982	0.203
H5	1.096	0.720	-0.108

	C1	O2	H3	H4	H5
C1		1.3588	1.0806	1.0856	1.9054
O2	1.3588		2.0457	2.1094	0.9569
H3	1.0806	2.0457		1.8752	2.8341
H4	1.0856	2.1094	1.8752		2.2540
H5	1.9054	0.9569	2.8341	2.2540

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.505		O2	C1	H3	113.498
O2	C1	H4	118.878		H3	C1	H4	119.920

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.139
2	O	-0.233
3	H	0.096
4	H	0.073
5	H	0.202

	x	y	z	Total
	0.069	1.464	0.232	1.484
CHELPG
AIM
ESP

	x	y	z
x	3.031	0.100	-0.023
y	0.100	2.579	-0.001
z	-0.023	-0.001	1.960

<r²>	20.391
(<r²>)^1/2	4.516

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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