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	hartrees
Energy at 0K	-115.056115
Energy at 298.15K	-115.058595
HF Energy	-115.056115
Nuclear repulsion energy	35.421152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3901	3729	80.96
2	A	3287	3142	6.64
3	A	3153	3013	17.85
4	A	1495	1429	10.53
5	A	1360	1300	28.76
6	A	1236	1181	123.26
7	A	1062	1015	47.15
8	A	569	544	82.62
9	A	412	393	59.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.682	0.028	-0.063
O2	-0.667	-0.126	0.021
H3	1.234	-0.882	0.103
H4	1.112	0.992	0.165
H5	-1.102	0.726	-0.056

	C1	O2	H3	H4	H5
C1		1.3596	1.0769	1.0804	1.9153
O2	1.3596		2.0468	2.1057	0.9596
H3	1.0769	2.0468		1.8789	2.8398
H4	1.0804	2.1057	1.8789		2.2406
H5	1.9153	0.9596	2.8398	2.2406

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.147		O2	C1	H3	113.783
O2	C1	H4	118.863		H3	C1	H4	121.136

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

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.812
2	O	-0.359
3	H	0.471
4	H	0.445
5	H	0.255

	x	y	z	Total
	0.003	1.477	0.238	1.496
CHELPG
AIM
ESP

	x	y	z
x	3.501	-0.073	-0.036
y	-0.073	2.915	-0.017
z	-0.036	-0.017	2.870

<r²>	20.643
(<r²>)^1/2	4.543

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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