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	hartrees
Energy at 0K	-114.460339
Energy at 298.15K	-114.462812
HF Energy	-114.460339
Nuclear repulsion energy	35.342948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3676	44.79
2	A	3217	3157	14.16
3	A	3070	3013	17.60
4	A	1447	1420	7.23
5	A	1325	1300	12.59
6	A	1250	1227	96.69
7	A	1026	1007	54.02
8	A	553	542	121.74
9	A	435	427	56.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.676	0.029	-0.067
O2	0.665	-0.127	0.025
H3	-1.232	-0.897	0.096
H4	-1.126	0.997	0.180
H5	1.092	0.743	-0.076

	C1	O2	H3	H4	H5
C1		1.3537	1.0915	1.0960	1.9070
O2	1.3537		2.0486	2.1208	0.9743
H3	1.0915	2.0486		1.8983	2.8492
H4	1.0960	2.1208	1.8983		2.2475
H5	1.9070	0.9743	2.8492	2.2475

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.914		O2	C1	H3	113.384
O2	C1	H4	119.569		H3	C1	H4	120.410

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

using model chemistry: LSDA/6-31G**

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	-0.171
2	O	-0.426
3	H	0.137
4	H	0.115
5	H	0.345

	x	y	z	Total
	0.273	1.538	0.226	1.579
CHELPG
AIM
ESP

	x	y	z
x	2.793	0.159	-0.060
y	0.159	2.352	0.008
z	-0.060	0.008	1.218

<r²>	20.343
(<r²>)^1/2	4.510

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

using model chemistry: LSDA/6-31G**

States and conformations

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