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	hartrees
Energy at 0K	-114.466393
Energy at 298.15K	-114.468976
HF Energy	-114.466393
Nuclear repulsion energy	35.669783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4171	4171	87.18
2	A	3384	3384	19.25
3	A	3251	3251	29.71
4	A	1602	1602	15.44
5	A	1461	1461	47.47
6	A	1274	1274	136.07
7	A	1140	1140	45.85
8	A	762	762	40.03
9	A	398	398	101.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.679	0.029	-0.075
O2	-0.663	-0.122	0.028
H3	1.226	-0.873	0.110
H4	1.105	0.976	0.203
H5	-1.103	0.700	-0.087

	C1	O2	H3	H4	H5
C1		1.3538	1.0710	1.0750	1.9044
O2	1.3538		2.0341	2.0878	0.9398
H3	1.0710	2.0341		1.8550	2.8177
H4	1.0750	2.0878	1.8550		2.2440
H5	1.9044	0.9398	2.8177	2.2440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.970		O2	C1	H3	113.532
O2	C1	H4	118.085		H3	C1	H4	119.630

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

using model chemistry: ROHF/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	-0.731
2	O	-0.380
3	H	0.473
4	H	0.446
5	H	0.192

	x	y	z	Total
	0.216	1.498	0.179	1.523
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	20.346
(<r²>)^1/2	4.511

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

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

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