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	hartrees
Energy at 0K	-114.999755
Energy at 298.15K	-114.995497
HF Energy	-115.068111
Nuclear repulsion energy	35.292207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3832	3698	42.47
2	A	3257	3143	19.37
3	A	3116	3007	21.48
4	A	1485	1433	7.91
5	A	1370	1323	32.02
6	A	1215	1172	82.96
7	A	1061	1024	46.33
8	A	642	619	60.31
9	A	441	426	76.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.683	0.028	-0.073
O2	0.670	-0.125	0.025
H3	-1.229	-0.888	0.115
H4	-1.120	0.987	0.194
H5	1.091	0.735	-0.070

	C1	O2	H3	H4	H5
C1		1.3653	1.0829	1.0867	1.9095
O2	1.3653		2.0482	2.1142	0.9621
H3	1.0829	2.0482		1.8795	2.8369
H4	1.0867	2.1142	1.8795		2.2410
H5	1.9095	0.9621	2.8369	2.2410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.245		O2	C1	H3	113.121
O2	C1	H4	118.871		H3	C1	H4	119.455

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

using model chemistry: G4

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	-0.219
2	O	-0.317
3	H	0.124
4	H	0.107
5	H	0.305

	x	y	z	Total
	0.118	1.407	0.225	1.430
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>	20.355
(<r²>)^1/2	4.512

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

using model chemistry: G4

States and conformations

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