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	hartrees
Energy at 0K	-154.386809
Energy at 298.15K	-154.391763
HF Energy	-154.386809
Nuclear repulsion energy	74.809183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3832	3682	35.23
2	A	3129	3006	61.92
3	A	3114	2992	8.01
4	A	3064	2944	22.43
5	A	2969	2852	45.17
6	A	1506	1447	1.23
7	A	1480	1422	9.69
8	A	1461	1404	16.81
9	A	1405	1350	0.87
10	A	1285	1234	135.22
11	A	1221	1173	30.78
12	A	1063	1021	29.51
13	A	1030	989	9.29
14	A	935	898	8.35
15	A	602	578	16.88
16	A	410	394	12.00
17	A	362	347	132.87
18	A	182	175	3.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.508	-0.103
C2	1.229	-0.164	0.011
O3	-1.170	-0.342	0.024
H4	-0.229	1.526	0.262
H5	1.292	-1.014	-0.678
H6	2.033	0.537	-0.233
H7	1.423	-0.556	1.024
H8	-1.982	0.177	-0.021

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4864	1.3776	1.0909	2.1364	2.1300	2.1672	1.9200
C2	1.4864		2.4052	2.2459	1.0964	1.0941	1.1035	3.2293
O3	1.3776	2.4052		2.1054	2.6469	3.3312	2.7868	0.9654
H4	1.0909	2.2459	2.1054		3.1069	2.5183	2.7648	2.2303
H5	2.1364	1.0964	2.6469	3.1069		1.7756	1.7671	3.5460
H6	2.1300	1.0941	3.3312	2.5183	1.7756		1.7738	4.0371
H7	2.1672	1.1035	2.7868	2.7648	1.7671	1.7738		3.6364
H8	1.9200	3.2293	0.9654	2.2303	3.5460	4.0371	3.6364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.714	C1	C2	H6	110.336
C1	C2	H7	112.774	C1	O3	H8	108.788
C2	C1	O3	114.180	C2	C1	H4	120.475
O3	C1	H4	116.575	H5	C2	H6	108.306
H5	C2	H7	106.891	H6	C2	H7	107.638

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)

using model chemistry: B3LYP/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	0.083
2	C	-0.339
3	O	-0.480
4	H	0.074
5	H	0.122
6	H	0.109
7	H	0.111
8	H	0.319

	x	y	z	Total
	-0.602	1.172	0.239	1.339
CHELPG
AIM
ESP

	x	y	z
x	4.691	-0.112	0.037
y	-0.112	3.813	0.056
z	0.037	0.056	2.825

<r²>	51.481
(<r²>)^1/2	7.175

All results from a given calculation for CH3CHOH (1-hydroxy-ethyl radical)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)