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	hartrees
Energy at 0K	-114.472988
Energy at 298.15K	-114.475571
HF Energy	-114.472988
Nuclear repulsion energy	35.698581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4178	4178	85.55
2	A	3384	3384	21.56
3	A	3250	3250	30.35
4	A	1604	1604	14.98
5	A	1464	1464	48.42
6	A	1275	1275	129.58
7	A	1142	1142	45.96
8	A	764	764	38.38
9	A	398	398	104.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	0.029	-0.076
O2	-0.662	-0.122	0.028
H3	1.225	-0.873	0.110
H4	1.104	0.975	0.204
H5	-1.101	0.699	-0.089

	C1	O2	H3	H4	H5
C1		1.3528	1.0705	1.0745	1.9016
O2	1.3528		2.0325	2.0863	0.9385
H3	1.0705	2.0325		1.8540	2.8145
H4	1.0745	2.0863	1.8540		2.2416
H5	1.9016	0.9385	2.8145	2.2416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.888		O2	C1	H3	113.500
O2	C1	H4	118.072		H3	C1	H4	119.607

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

using model chemistry: ROHF/cc-pVQZ

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	0.037
2	O	-0.406
3	H	0.090
4	H	0.036
5	H	0.243

	x	y	z	Total
	0.220	1.496	0.163	1.521
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	20.263
(<r²>)^1/2	4.501

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

using model chemistry: ROHF/cc-pVQZ

States and conformations

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