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	hartrees
Energy at 0K	-115.064198
Energy at 298.15K	-115.066729
HF Energy	-115.064198
Nuclear repulsion energy	35.161042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3674	47.77
2	A	3250	3152	20.36
3	A	3102	3009	22.49
4	A	1464	1420	10.95
5	A	1363	1322	30.41
6	A	1219	1182	90.55
7	A	1049	1018	42.16
8	A	611	593	73.44
9	A	448	434	67.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.028	-0.071
O2	-0.672	-0.126	0.024
H3	1.232	-0.898	0.114
H4	1.129	0.995	0.187
H5	-1.089	0.743	-0.065

	C1	O2	H3	H4	H5
C1		1.3676	1.0917	1.0960	1.9113
O2	1.3676		2.0567	2.1280	0.9681
H3	1.0917	2.0567		1.8970	2.8482
H4	1.0960	2.1280	1.8970		2.2466
H5	1.9113	0.9681	2.8482	2.2466

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.630		O2	C1	H3	113.023
O2	C1	H4	119.079		H3	C1	H4	120.247

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

using model chemistry: B3LYP/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	-0.029
2	O	-0.177
3	H	0.034
4	H	0.019
5	H	0.152

	x	y	z	Total
	-0.162	1.440	0.230	1.467
CHELPG
AIM
ESP

	x	y	z
x	2.793	-0.153	0.061
y	-0.153	2.343	0.008
z	0.061	0.008	1.356

<r²>	20.507
(<r²>)^1/2	4.528

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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