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	hartrees
Energy at 0K	-115.030827
Energy at 298.15K	-115.033339
HF Energy	-115.030827
Nuclear repulsion energy	35.333241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3933	3746	67.64
2	A	3315	3158	13.62
3	A	3166	3016	23.38
4	A	1507	1436	11.57
5	A	1360	1296	26.39
6	A	1242	1183	120.77
7	A	1071	1020	53.60
8	A	599	571	113.17
9	A	427	407	73.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.682	0.030	-0.073
O2	0.667	-0.124	0.032
H3	-1.234	-0.889	0.088
H4	-1.123	0.986	0.208
H5	1.111	0.715	-0.114

	C1	O2	H3	H4	H5
C1		1.3628	1.0840	1.0892	1.9208
O2	1.3628		2.0502	2.1138	0.9609
H3	1.0840	2.0502		1.8819	2.8488
H4	1.0892	2.1138	1.8819		2.2737
H5	1.9208	0.9609	2.8488	2.2737

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.312		O2	C1	H3	113.351
O2	C1	H4	118.677		H3	C1	H4	119.986

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

using model chemistry: wB97X-D/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	-0.221
2	O	-0.434
3	H	0.156
4	H	0.137
5	H	0.362

	x	y	z	Total
	-0.056	1.649	0.251	1.669
CHELPG
AIM
ESP

	x	y	z
x	3.067	0.041	0.028
y	0.041	2.406	-0.004
z	0.028	-0.004	2.269

<r²>	20.662
(<r²>)^1/2	4.546

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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