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	hartrees
Energy at 0K	-115.107779
Energy at 298.15K	-115.110301
HF Energy	-115.107779
Nuclear repulsion energy	35.181022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3796	3658	45.08
2	A	3262	3144	16.45
3	A	3114	3001	23.39
4	A	1496	1442	9.29
5	A	1358	1309	23.60
6	A	1186	1143	98.06
7	A	1052	1014	53.68
8	A	611	589	92.01
9	A	438	422	72.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.688	0.028	-0.069
O2	-0.672	-0.125	0.025
H3	1.229	-0.891	0.101
H4	1.123	0.989	0.187
H5	-1.099	0.734	-0.079

	C1	O2	H3	H4	H5
C1		1.3717	1.0807	1.0855	1.9209
O2	1.3717		2.0514	2.1190	0.9655
H3	1.0807	2.0514		1.8854	2.8453
H4	1.0855	2.1190	1.8854		2.2518
H5	1.9209	0.9655	2.8453	2.2518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	109.319		O2	C1	H3	113.007
O2	C1	H4	118.703		H3	C1	H4	120.995

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

using model chemistry: TPSSh/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	-0.175
2	O	-0.323
3	H	0.122
4	H	0.097
5	H	0.279

	x	y	z	Total
	0.022	1.572	0.252	1.592
CHELPG
AIM
ESP

	x	y	z
x	3.055	-0.096	0.004
y	-0.096	2.506	-0.010
z	0.004	-0.010	2.012

<r²>	20.693
(<r²>)^1/2	4.549

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

using model chemistry: TPSSh/TZVP

States and conformations

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