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	hartrees
Energy at 0K	-114.444967
Energy at 298.15K	-114.447611
HF Energy	-114.444967
Nuclear repulsion energy	35.613578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4189	3823	74.99
2	A	3376	3081	32.75
3	A	3236	2953	39.88
4	A	1609	1469	18.06
5	A	1473	1344	47.57
6	A	1276	1164	128.02
7	A	1154	1053	45.74
8	A	901	822	24.02
9	A	416	380	130.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.680	0.030	-0.087
O2	0.663	-0.121	0.035
H3	-1.219	-0.876	0.116
H4	-1.108	0.964	0.243
H5	1.098	0.698	-0.119

	C1	O2	H3	H4	H5
C1		1.3572	1.0739	1.0791	1.8990
O2	1.3572		2.0299	2.0877	0.9399
H3	1.0739	2.0299		1.8477	2.8108
H4	1.0791	2.0877	1.8477		2.2508
H5	1.8990	0.9399	2.8108	2.2508

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.198		O2	C1	H3	112.714
O2	C1	H4	117.490		H3	C1	H4	118.232

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

using model chemistry: ROHF/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	-0.030
2	O	-0.406
3	H	0.101
4	H	0.080
5	H	0.256

	x	y	z	Total
	-0.329	1.564	0.102	1.601
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	20.221
(<r²>)^1/2	4.497

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

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

States and conformations

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