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	hartrees
Energy at 0K	-115.047699
Energy at 298.15K	-115.049959
HF Energy	-115.047699
Nuclear repulsion energy	34.601380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3575	23.61
2	A	3343	3214	16.37
3	A	3167	3044	23.15
4	A	1475	1418	2.15
5	A	1325	1274	25.48
6	A	1149	1104	92.64
7	A	1033	993	75.89
8	A	490	471	278.00
9	A	287	276	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.705	0.029	-0.041
O2	-0.684	-0.125	0.019
H3	1.246	-0.904	0.047
H4	1.158	1.005	0.119
H5	-1.164	0.723	-0.071

	C1	O2	H3	H4	H5
C1		1.3994	1.0813	1.0877	1.9944
O2	1.3994		2.0814	2.1634	0.9783
H3	1.0813	2.0814		1.9117	2.9097
H4	1.0877	2.1634	1.9117		2.3470
H5	1.9944	0.9783	2.9097	2.3470

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	112.829		O2	C1	H3	113.460
O2	C1	H4	120.368		H3	C1	H4	123.620

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

using model chemistry: B3LYP/SDD

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	-0.340
2	O	-0.427
3	H	0.214
4	H	0.190
5	H	0.363

	x	y	z	Total
	0.190	1.889	0.142	1.904
CHELPG
AIM
ESP

	x	y	z
x	2.749	-0.161	-0.010
y	-0.161	2.052	-0.031
z	-0.010	-0.031	1.104

<r²>	21.106
(<r²>)^1/2	4.594

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

using model chemistry: B3LYP/SDD

States and conformations

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