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	hartrees
Energy at 0K	-114.968666
Energy at 298.15K	-114.971088
HF Energy	-114.968666
Nuclear repulsion energy	35.073345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3711	3669	43.41
2	A	3211	3175	12.13
3	A	3066	3031	19.04
4	A	1443	1427	6.07
5	A	1322	1307	19.89
6	A	1173	1160	88.45
7	A	1023	1011	50.59
8	A	519	513	152.54
9	A	405	400	21.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.687	0.028	-0.060
O2	-0.674	-0.126	0.022
H3	1.238	-0.898	0.088
H4	1.132	0.999	0.161
H5	-1.098	0.744	-0.067

	C1	O2	H3	H4	H5
C1		1.3728	1.0869	1.0913	1.9233
O2	1.3728		2.0630	2.1333	0.9721
H3	1.0869	2.0630		1.9014	2.8590
H4	1.0913	2.1333	1.9014		2.2559
H5	1.9233	0.9721	2.8590	2.2559

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.007		O2	C1	H3	113.504
O2	C1	H4	119.495		H3	C1	H4	121.607

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

using model chemistry: PBEPBEultrafine/TZVP

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	-0.287
3	H	0.131
4	H	0.105
5	H	0.274

	x	y	z	Total
	-0.102	1.564	0.247	1.587
CHELPG
AIM
ESP

	x	y	z
x	3.162	-0.093	0.011
y	-0.093	2.567	-0.011
z	0.011	-0.011	2.110

<r²>	20.881
(<r²>)^1/2	4.570

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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