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	hartrees
Energy at 0K	-115.041073
Energy at 298.15K	-115.043601
HF Energy	-115.041073
Nuclear repulsion energy	35.435455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3882	3721	56.44
2	A	3274	3138	19.30
3	A	3127	2998	23.26
4	A	1489	1427	8.65
5	A	1365	1308	27.08
6	A	1238	1187	99.43
7	A	1061	1017	47.76
8	A	601	576	98.51
9	A	451	432	64.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.028	-0.068
O2	-0.667	-0.125	0.024
H3	1.226	-0.887	0.106
H4	1.117	0.988	0.181
H5	-1.085	0.733	-0.068

	C1	O2	H3	H4	H5
C1		1.3587	1.0797	1.0842	1.9008
O2	1.3587		2.0426	2.1087	0.9588
H3	1.0797	2.0426		1.8800	2.8281
H4	1.0842	2.1087	1.8800		2.2309
H5	1.9008	0.9588	2.8281	2.2309

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	O2	H5	108.987		O2	C1	H3	113.302
O2	C1	H4	118.930		H3	C1	H4	120.641

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

using model chemistry: B1B95/6-311G*

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	-0.177
2	O	-0.305
3	H	0.123
4	H	0.103
5	H	0.256

	x	y	z	Total
	-0.080	1.531	0.245	1.552
CHELPG
AIM
ESP

	x	y	z
x	2.814	-0.127	0.044
y	-0.127	2.348	0.006
z	0.044	0.006	1.605

<r²>	20.351
(<r²>)^1/2	4.511

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

using model chemistry: B1B95/6-311G*

States and conformations

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