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	hartrees
Energy at 0K	-114.981946
Energy at 298.15K	-114.984363
HF Energy	-114.981946
Nuclear repulsion energy	34.369708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3493	3466	7.66
2	A	3242	3218	24.08
3	A	3076	3052	19.39
4	A	1458	1447	4.38
5	A	1323	1313	26.92
6	A	1096	1087	48.53
7	A	1013	1005	77.53
8	A	537	533	165.87
9	A	405	402	44.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.710	0.030	-0.062
O2	-0.690	-0.126	0.025
H3	1.242	-0.907	0.080
H4	1.165	0.995	0.175
H5	-1.148	0.744	-0.087

	C1	O2	H3	H4	H5
C1		1.4107	1.0869	1.0932	1.9905
O2	1.4107		2.0844	2.1721	0.9895
H3	1.0869	2.0844		1.9062	2.9097
H4	1.0932	2.1721	1.9062		2.3413
H5	1.9905	0.9895	2.9097	2.3413

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.831		O2	C1	H3	112.495
O2	C1	H4	119.802		H3	C1	H4	121.949

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

using model chemistry: BLYP/6-31G

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	-0.088
2	O	-0.508
3	H	0.130
4	H	0.106
5	H	0.359

	x	y	z	Total
	0.044	1.736	0.174	1.745
CHELPG
AIM
ESP

	x	y	z
x	2.893	-0.185	0.040
y	-0.185	2.250	-0.015
z	0.040	-0.015	0.976

<r²>	21.195
(<r²>)^1/2	4.604

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

using model chemistry: BLYP/6-31G

States and conformations

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