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	hartrees
Energy at 0K	-113.411436
Energy at 298.15K	-113.414033
HF Energy	-113.411436
Nuclear repulsion energy	34.413592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3815	3369	15.26
2	A	3553	3137	3.21
3	A	3360	2967	1.32
4	A	1627	1437	11.74
5	A	1545	1365	18.55
6	A	1298	1146	24.83
7	A	1117	986	22.62
8	A	774	683	37.09
9	A	543	479	49.84

Atom	x (Å)	y (Å)	z (Å)
C1	-0.697	0.028	-0.091
O2	0.690	-0.133	0.030
H3	-1.242	-0.896	0.141
H4	-1.147	0.974	0.248
H5	1.050	0.814	-0.083

	C1	O2	H3	H4	H5
C1		1.4018	1.0972	1.1005	1.9156
O2	1.4018		2.0801	2.1554	1.0192
H3	1.0972	2.0801		1.8749	2.8680
H4	1.1005	2.1554	1.8749		2.2270
H5	1.9156	1.0192	2.8680	2.2270

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	103.476		O2	C1	H3	112.116
O2	C1	H4	118.441		H3	C1	H4	117.102

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.113
2	O	-0.211
3	H	0.065
4	H	0.055
5	H	0.204

	x	y	z	Total
	0.175	1.318	0.246	1.352
CHELPG
AIM
ESP

	x	y	z
x	1.783	0.280	0.009
y	0.280	1.288	-0.017
z	0.009	-0.017	0.368

<r²>	20.335
(<r²>)^1/2	4.509

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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