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	hartrees
Energy at 0K	-115.018008
Energy at 298.15K	-115.020517
HF Energy	-115.018008
Nuclear repulsion energy	35.369136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3714	66.02
2	A	3305	3162	12.80
3	A	3155	3018	22.76
4	A	1490	1425	11.48
5	A	1347	1288	22.59
6	A	1238	1184	120.65
7	A	1052	1006	52.26
8	A	592	567	116.31
9	A	438	419	67.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.682	0.029	-0.067
O2	-0.667	-0.125	0.025
H3	1.229	-0.888	0.099
H4	1.116	0.992	0.180
H5	-1.103	0.726	-0.075

	C1	O2	H3	H4	H5
C1		1.3605	1.0808	1.0851	1.9167
O2	1.3605		2.0450	2.1097	0.9622
H3	1.0808	2.0450		1.8856	2.8422
H4	1.0851	2.1097	1.8856		2.2498
H5	1.9167	0.9622	2.8422	2.2498

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.036		O2	C1	H3	113.293
O2	C1	H4	118.807		H3	C1	H4	121.056

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

using model chemistry: B1B95/6-31+G**

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	-0.223
2	O	-0.418
3	H	0.151
4	H	0.132
5	H	0.357

	x	y	z	Total
	-0.034	1.625	0.267	1.647
CHELPG
AIM
ESP

	x	y	z
x	3.124	-0.045	-0.032
y	-0.045	2.413	-0.009
z	-0.032	-0.009	2.366

<r²>	20.672
(<r²>)^1/2	4.547

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

using model chemistry: B1B95/6-31+G**

States and conformations

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