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	hartrees
Energy at 0K	-115.022127
Energy at 298.15K	-115.024650
HF Energy	-115.022127
Nuclear repulsion energy	35.244179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3826	3692	55.27
2	A	3270	3155	17.35
3	A	3120	3011	21.46
4	A	1466	1415	11.28
5	A	1363	1316	27.70
6	A	1235	1192	94.39
7	A	1050	1013	42.36
8	A	605	584	77.23
9	A	440	425	68.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.681	0.028	-0.070
O2	-0.670	-0.126	0.024
H3	1.232	-0.897	0.111
H4	1.128	0.995	0.185
H5	-1.084	0.743	-0.066

	C1	O2	H3	H4	H5
C1		1.3632	1.0913	1.0955	1.9042
O2	1.3632		2.0543	2.1247	0.9661
H3	1.0913	2.0543		1.8959	2.8429
H4	1.0955	2.1247	1.8959		2.2402
H5	1.9042	0.9661	2.8429	2.2402

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.466		O2	C1	H3	113.169
O2	C1	H4	119.167		H3	C1	H4	120.218

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

using model chemistry: B3PW91/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	-0.067
2	O	-0.189
3	H	0.056
4	H	0.041
5	H	0.160

	x	y	z	Total
	-0.131	1.454	0.228	1.477
CHELPG
AIM
ESP

	x	y	z
x	2.755	-0.139	0.055
y	-0.139	2.313	0.009
z	0.055	0.009	1.359

<r²>	20.401
(<r²>)^1/2	4.517

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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