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	hartrees
Energy at 0K	-114.460507
Energy at 298.15K	-114.463104
HF Energy	-114.460507
Nuclear repulsion energy	35.623203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4170	4170	79.58
2	A	3394	3394	22.78
3	A	3255	3255	32.04
4	A	1609	1609	19.10
5	A	1458	1458	44.09
6	A	1271	1271	133.17
7	A	1142	1142	51.03
8	A	778	778	35.62
9	A	407	407	129.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.030	-0.077
O2	-0.663	-0.122	0.032
H3	1.225	-0.876	0.100
H4	1.108	0.973	0.216
H5	-1.104	0.698	-0.111

	C1	O2	H3	H4	H5
C1		1.3559	1.0718	1.0765	1.9049
O2	1.3559		2.0347	2.0903	0.9414
H3	1.0718	2.0347		1.8562	2.8188
H4	1.0765	2.0903	1.8562		2.2526
H5	1.9049	0.9414	2.8188	2.2526

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	110.738		O2	C1	H3	113.367
O2	C1	H4	118.039		H3	C1	H4	119.548

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

using model chemistry: ROHF/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	-0.045
2	O	-0.404
3	H	0.092
4	H	0.069
5	H	0.287

	x	y	z	Total
	0.339	1.632	0.113	1.670
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>	20.335
(<r²>)^1/2	4.509

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

using model chemistry: ROHF/TZVP

States and conformations

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