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	hartrees
Energy at 0K	-154.327507
Energy at 298.15K	-154.332379
HF Energy	-154.327507
Nuclear repulsion energy	74.307429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3680	3660	27.10
2	A	3041	3024	58.71
3	A	3024	3008	7.02
4	A	2967	2951	22.23
5	A	2858	2842	56.35
6	A	1454	1446	0.54
7	A	1427	1419	7.11
8	A	1403	1395	11.83
9	A	1358	1351	1.11
10	A	1241	1234	89.99
11	A	1170	1164	46.30
12	A	1027	1021	25.80
13	A	995	990	10.19
14	A	899	894	9.34
15	A	572	568	17.24
16	A	394	392	12.11
17	A	360	358	107.00
18	A	170	170	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.510	-0.103
C2	1.236	-0.164	0.012
O3	-1.179	-0.345	0.022
H4	-0.232	1.536	0.258
H5	1.304	-1.024	-0.677
H6	2.043	0.542	-0.239
H7	1.443	-0.557	1.031
H8	-1.991	0.190	-0.001

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4932	1.3890	1.0967	2.1515	2.1394	2.1859	1.9285
C2	1.4932		2.4222	2.2592	1.1038	1.1008	1.1122	3.2462
O3	1.3890	2.4222		2.1192	2.6673	3.3524	2.8176	0.9725
H4	1.0967	2.2592	2.1192		3.1280	2.5320	2.7894	2.2295
H5	2.1515	1.1038	2.6673	3.1280		1.7860	1.7762	3.5756
H6	2.1394	1.1008	3.3524	2.5320	1.7860		1.7834	4.0562
H7	2.1859	1.1122	2.8176	2.7894	1.7762	1.7834		3.6623
H8	1.9285	3.2462	0.9725	2.2295	3.5756	4.0562	3.6623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.994	C1	C2	H6	110.211
C1	C2	H7	113.257	C1	O3	H8	108.204
C2	C1	O3	114.321	C2	C1	H4	120.696
O3	C1	H4	116.492	H5	C2	H6	108.218
H5	C2	H7	106.552	H6	C2	H7	107.388

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.021
2	C	-0.348
3	O	-0.305
4	H	0.069
5	H	0.114
6	H	0.107
7	H	0.103
8	H	0.282

	x	y	z	Total
	-0.625	1.011	0.273	1.219
CHELPG
AIM
ESP

	x	y	z
x	5.145	-0.165	0.054
y	-0.165	4.071	0.037
z	0.054	0.037	3.133

<r²>	52.100
(<r²>)^1/2	7.218

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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