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	hartrees
Energy at 0K	-113.343077
Energy at 298.15K	-113.345689
HF Energy	-113.313525
Nuclear repulsion energy	34.297786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3812	3812	20.51
2	A	3550	3550	4.36
3	A	3360	3360	2.36
4	A	1638	1638	13.74
5	A	1556	1556	16.12
6	A	1283	1283	22.94
7	A	1124	1124	23.16
8	A	818	818	27.18
9	A	539	539	52.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.701	0.028	-0.094
O2	0.693	-0.133	0.031
H3	-1.244	-0.897	0.144
H4	-1.149	0.973	0.257
H5	1.051	0.815	-0.088

	C1	O2	H3	H4	H5
C1		1.4089	1.0989	1.1023	1.9202
O2	1.4089		2.0857	2.1600	1.0195
H3	1.0989	2.0857		1.8752	2.8724
H4	1.1023	2.1600	1.8752		2.2324
H5	1.9202	1.0195	2.8724	2.2324

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	103.340		O2	C1	H3	111.961
O2	C1	H4	118.158		H3	C1	H4	116.841

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

using model chemistry: B2PLYP/STO-3G

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	-0.081
2	O	-0.213
3	H	0.056
4	H	0.045
5	H	0.193

	x	y	z	Total
	0.088	1.291	0.212	1.312
CHELPG
AIM
ESP

	x	y	z
x	1.797	0.286	0.005
y	0.286	1.302	-0.017
z	0.005	-0.017	0.365

<r²>	20.464
(<r²>)^1/2	4.524

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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