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	hartrees
Energy at 0K	-114.967558
Energy at 298.15K	-114.970160
HF Energy	-114.864374
Nuclear repulsion energy	35.300097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3838	3838	33.45
2	A	3288	3288	24.18
3	A	3138	3138	29.63
4	A	1517	1517	8.26
5	A	1397	1397	38.43
6	A	1217	1217	96.55
7	A	1090	1090	50.27
8	A	693	693	73.79
9	A	476	476	105.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.685	0.029	-0.077
O2	-0.669	-0.124	0.028
H3	1.222	-0.888	0.115
H4	1.120	0.982	0.207
H5	-1.097	0.729	-0.083

	C1	O2	H3	H4	H5
C1		1.3669	1.0797	1.0850	1.9140
O2	1.3669		2.0413	2.1108	0.9605
H3	1.0797	2.0413		1.8746	2.8332
H4	1.0850	2.1108	1.8746		2.2493
H5	1.9140	0.9605	2.8332	2.2493

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.404		O2	C1	H3	112.567
O2	C1	H4	118.386		H3	C1	H4	119.999

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

using model chemistry: B2PLYP/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	-0.317
2	O	-0.487
3	H	0.213
4	H	0.189
5	H	0.402

	x	y	z	Total
	-0.013	1.633	0.244	1.651
CHELPG
AIM
ESP

	x	y	z
x	2.761	-0.127	0.051
y	-0.127	2.283	0.003
z	0.051	0.003	1.503

<r²>	20.534
(<r²>)^1/2	4.531

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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