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	hartrees
Energy at 0K	-115.045936
Energy at 298.15K	-115.048385
HF Energy	-115.045936
Nuclear repulsion energy	35.126486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3749	3692	47.32
2	A	3216	3166	15.01
3	A	3073	3026	23.48
4	A	1447	1425	7.13
5	A	1336	1315	25.19
6	A	1159	1141	91.46
7	A	1033	1017	48.66
8	A	542	534	92.72
9	A	413	407	41.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.689	0.027	-0.064
O2	0.674	-0.126	0.021
H3	-1.236	-0.891	0.105
H4	-1.122	0.997	0.166
H5	1.096	0.739	-0.054

	C1	O2	H3	H4	H5
C1		1.3743	1.0824	1.0863	1.9218
O2	1.3743		2.0597	2.1233	0.9653
H3	1.0824	2.0597		1.8921	2.8501
H4	1.0863	2.1233	1.8921		2.2442
H5	1.9218	0.9653	2.8501	2.2442

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.207		O2	C1	H3	113.414
O2	C1	H4	118.828		H3	C1	H4	121.494

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

using model chemistry: B97D3/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	-0.622
2	O	-0.254
3	H	0.365
4	H	0.346
5	H	0.165

	x	y	z	Total
	0.107	1.410	0.252	1.436
CHELPG
AIM
ESP

	x	y	z
x	3.766	0.060	0.035
y	0.060	3.099	-0.009
z	0.035	-0.009	3.081

<r²>	20.868
(<r²>)^1/2	4.568

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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