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	hartrees
Energy at 0K	-114.969438
Energy at 298.15K	-114.971884
HF Energy	-114.969438
Nuclear repulsion energy	35.105866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3693	43.15
2	A	3196	3174	15.03
3	A	3056	3035	20.01
4	A	1432	1423	5.62
5	A	1330	1321	25.63
6	A	1180	1172	81.71
7	A	1022	1015	45.75
8	A	530	527	109.61
9	A	420	417	33.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.686	0.027	-0.063
O2	-0.674	-0.127	0.021
H3	1.238	-0.895	0.102
H4	1.128	0.999	0.163
H5	-1.090	0.747	-0.054

	C1	O2	H3	H4	H5
C1		1.3720	1.0868	1.0906	1.9169
O2	1.3720		2.0622	2.1296	0.9705
H3	1.0868	2.0622		1.8976	2.8529
H4	1.0906	2.1296	1.8976		2.2428
H5	1.9169	0.9705	2.8529	2.2428

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.616		O2	C1	H3	113.499
O2	C1	H4	119.272		H3	C1	H4	121.263

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

using model chemistry: PBEPBEultrafine/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	-0.161
2	O	-0.215
3	H	0.101
4	H	0.068
5	H	0.208

	x	y	z	Total
	-0.176	1.419	0.246	1.451
CHELPG
AIM
ESP

	x	y	z
x	3.204	-0.113	0.034
y	-0.113	2.704	0.001
z	0.034	0.001	2.025

<r²>	20.742
(<r²>)^1/2	4.554

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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