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	hartrees
Energy at 0K	-115.064198
Energy at 298.15K	-115.066728
HF Energy	-115.064198
Nuclear repulsion energy	35.160065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3673	47.62
2	A	3249	3151	20.14
3	A	3101	3008	22.16
4	A	1464	1420	10.91
5	A	1362	1321	30.44
6	A	1219	1182	90.43
7	A	1049	1018	42.24
8	A	610	592	73.83
9	A	447	433	67.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.684	0.028	-0.071
O2	-0.672	-0.126	0.024
H3	1.233	-0.898	0.114
H4	1.129	0.995	0.186
H5	-1.089	0.743	-0.064

	C1	O2	H3	H4	H5
C1		1.3676	1.0918	1.0960	1.9115
O2	1.3676		2.0569	2.1280	0.9680
H3	1.0918	2.0569		1.8972	2.8484
H4	1.0960	2.1280	1.8972		2.2464
H5	1.9115	0.9680	2.8484	2.2464

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.641		O2	C1	H3	113.035
O2	C1	H4	119.075		H3	C1	H4	120.268

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

using model chemistry: B3LYPultrafine/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	0.232	1.468
CHELPG
AIM
ESP

	x	y	z
x	2.789	-0.151	0.059
y	-0.151	2.341	0.008
z	0.059	0.008	1.354

<r²>	20.508
(<r²>)^1/2	4.529

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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