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	hartrees
Energy at 0K	-114.931047
Energy at 298.15K
HF Energy	-114.833735
Nuclear repulsion energy	35.195619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3790	3596	39.43	77.57	0.29	0.45
2	A	3314	3144	24.94	49.74	0.62	0.76
3	A	3166	3004	26.82	95.58	0.17	0.29
4	A	1529	1450	10.62	6.15	0.75	0.85
5	A	1395	1324	35.58	7.26	0.74	0.85
6	A	1224	1161	88.04	8.69	0.30	0.46
7	A	1085	1029	51.80	2.44	0.69	0.81
8	A	725	688	54.54	4.19	0.16	0.27
9	A	459	435	108.69	1.12	0.66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.686	0.029	-0.080
O2	0.671	-0.125	0.029
H3	-1.223	-0.888	0.116
H4	-1.122	0.979	0.218
H5	1.092	0.738	-0.090

	C1	O2	H3	H4	H5
C1		1.3710	1.0810	1.0861	1.9148
O2	1.3710		2.0444	2.1146	0.9680
H3	1.0810	2.0444		1.8724	2.8372
H4	1.0861	2.1146	1.8724		2.2486
H5	1.9148	0.9680	2.8372	2.2486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.666		O2	C1	H3	112.436
O2	C1	H4	118.299		H3	C1	H4	119.535

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	-0.152
2	O	-0.560
3	H	0.158
4	H	0.134
5	H	0.420

	x	y	z	Total
	-0.029	1.560	0.209	1.574
CHELPG
AIM
ESP

	x	y	z
x	2.660	0.149	-0.061
y	0.149	2.240	0.008
z	-0.061	0.008	1.163

<r²>	20.459
(<r²>)^1/2	4.523

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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