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	hartrees
Energy at 0K	-115.024852
Energy at 298.15K	-115.027362
HF Energy	-115.024852
Nuclear repulsion energy	34.816950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3632	30.02
2	A	3161	3166	24.37
3	A	3013	3017	24.18
4	A	1418	1420	8.45
5	A	1329	1331	26.98
6	A	1161	1162	72.11
7	A	1018	1020	42.26
8	A	596	597	73.89
9	A	450	451	58.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.691	0.028	-0.074
O2	-0.679	-0.127	0.024
H3	1.236	-0.907	0.120
H4	1.142	0.999	0.193
H5	-1.091	0.757	-0.062

	C1	O2	H3	H4	H5
C1		1.3829	1.0992	1.1037	1.9257
O2	1.3829		2.0705	2.1480	0.9791
H3	1.0992	2.0705		1.9098	2.8667
H4	1.1037	2.1480	1.9098		2.2602
H5	1.9257	0.9791	2.8667	2.2602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.007		O2	C1	H3	112.564
O2	C1	H4	119.076		H3	C1	H4	120.219

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

using model chemistry: BLYP/cc-pVDZ

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	-0.026
2	O	-0.148
3	H	0.021
4	H	0.007
5	H	0.146

	x	y	z	Total
	-0.262	1.391	0.255	1.439
CHELPG
AIM
ESP

	x	y	z
x	2.930	-0.164	0.067
y	-0.164	2.457	0.011
z	0.067	0.011	1.383

<r²>	20.801
(<r²>)^1/2	4.561

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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