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	hartrees
Energy at 0K	-114.969437
Energy at 298.15K	-114.971879
HF Energy	-114.969437
Nuclear repulsion energy	35.102181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3693	43.11
2	A	3199	3176	14.94
3	A	3058	3037	19.94
4	A	1432	1422	5.55
5	A	1330	1321	25.59
6	A	1179	1170	81.46
7	A	1022	1015	45.95
8	A	529	525	108.79
9	A	417	414	34.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.687	0.027	-0.063
O2	0.674	-0.127	0.021
H3	-1.237	-0.895	0.102
H4	-1.128	0.999	0.163
H5	1.090	0.747	-0.054

	C1	O2	H3	H4	H5
C1		1.3724	1.0867	1.0904	1.9169
O2	1.3724		2.0620	2.1293	0.9705
H3	1.0867	2.0620		1.8979	2.8526
H4	1.0904	2.1293	1.8979		2.2421
H5	1.9169	0.9705	2.8526	2.2421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.592		O2	C1	H3	113.467
O2	C1	H4	119.233		H3	C1	H4	121.323

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

using model chemistry: PBEPBE/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	-0.216
3	H	0.101
4	H	0.068
5	H	0.208

	x	y	z	Total
	0.175	1.419	0.246	1.451
CHELPG
AIM
ESP

	x	y	z
x	3.203	0.113	-0.034
y	0.113	2.703	0.001
z	-0.034	0.001	2.025

<r²>	20.744
(<r²>)^1/2	4.555

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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