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	hartrees
Energy at 0K	-115.059669
Energy at 298.15K	-115.062164
HF Energy	-115.059669
Nuclear repulsion energy	34.922452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3674	33.38
2	A	3176	3163	22.76
3	A	3031	3020	24.46
4	A	1445	1439	5.60
5	A	1335	1329	28.23
6	A	1146	1142	73.50
7	A	1032	1028	48.33
8	A	575	573	104.25
9	A	444	442	50.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.693	0.028	-0.069
O2	0.679	-0.126	0.023
H3	-1.235	-0.898	0.108
H4	-1.135	0.993	0.183
H5	1.093	0.749	-0.066

	C1	O2	H3	H4	H5
C1		1.3833	1.0870	1.0917	1.9260
O2	1.3833		2.0653	2.1377	0.9725
H3	1.0870	2.0653		1.8954	2.8570
H4	1.0917	2.1377	1.8954		2.2553
H5	1.9260	0.9725	2.8570	2.2553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.426		O2	C1	H3	112.905
O2	C1	H4	119.002		H3	C1	H4	120.905

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

using model chemistry: BLYP/6-311G**

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	-0.160
2	O	-0.283
3	H	0.109
4	H	0.090
5	H	0.245

	x	y	z	Total
	0.121	1.492	0.255	1.518
CHELPG
AIM
ESP

	x	y	z
x	2.992	0.139	-0.051
y	0.139	2.462	0.007
z	-0.051	0.007	1.644

<r²>	20.844
(<r²>)^1/2	4.565

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

using model chemistry: BLYP/6-311G**

States and conformations

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