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	hartrees
Energy at 0K	-114.473950
Energy at 298.15K	-114.476533
HF Energy	-114.473950
Nuclear repulsion energy	35.706313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4179	4179	87.75
2	A	3385	3385	19.29
3	A	3252	3252	29.64
4	A	1604	1604	15.37
5	A	1463	1463	47.41
6	A	1275	1275	136.17
7	A	1141	1141	45.96
8	A	759	759	40.34
9	A	400	400	101.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.678	0.029	-0.075
O2	-0.662	-0.122	0.028
H3	1.225	-0.872	0.111
H4	1.104	0.976	0.201
H5	-1.102	0.699	-0.085

	C1	O2	H3	H4	H5
C1		1.3522	1.0705	1.0745	1.9022
O2	1.3522		2.0327	2.0863	0.9386
H3	1.0705	2.0327		1.8542	2.8152
H4	1.0745	2.0863	1.8542		2.2416
H5	1.9022	0.9386	2.8152	2.2416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.989		O2	C1	H3	113.561
O2	C1	H4	118.119		H3	C1	H4	119.641

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

using model chemistry: ROHF/aug-cc-pVQZ

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	-0.419
2	O	-0.623
3	H	0.384
4	H	0.335
5	H	0.324

	x	y	z	Total
	0.209	1.496	0.181	1.521
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	20.315
(<r²>)^1/2	4.507

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

using model chemistry: ROHF/aug-cc-pVQZ

States and conformations

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