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	hartrees
Energy at 0K	-114.262177
Energy at 298.15K	-114.264726
HF Energy	-114.196268
Nuclear repulsion energy	34.544789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3535	3535	10.51
2	A	3304	3304	24.71
3	A	3150	3150	18.83
4	A	1539	1539	4.96
5	A	1387	1387	32.22
6	A	1143	1143	39.19
7	A	1061	1061	85.03
8	A	654	654	91.39
9	A	447	447	108.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.705	0.030	-0.072
O2	-0.687	-0.126	0.030
H3	1.234	-0.896	0.090
H4	1.164	0.973	0.205
H5	-1.130	0.750	-0.102

	C1	O2	H3	H4	H5
C1		1.4041	1.0787	1.0848	1.9708
O2	1.4041		2.0705	2.1601	0.9902
H3	1.0787	2.0705		1.8736	2.8866
H4	1.0848	2.1601	1.8736		2.3251
H5	1.9708	0.9902	2.8866	2.3251

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.585		O2	C1	H3	112.348
O2	C1	H4	119.879		H3	C1	H4	119.997

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

using model chemistry: B2PLYP/3-21G

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	-0.181
2	O	-0.534
3	H	0.191
4	H	0.160
5	H	0.364

	x	y	z	Total
	0.089	1.683	0.182	1.696
CHELPG
AIM
ESP

	x	y	z
x	2.630	-0.214	0.044
y	-0.214	2.058	-0.005
z	0.044	-0.005	0.786

<r²>	20.952
(<r²>)^1/2	4.577

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

using model chemistry: B2PLYP/3-21G

States and conformations

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