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	hartrees
Energy at 0K	-154.189974
Energy at 298.15K	-154.194868
HF Energy	-154.189974
Nuclear repulsion energy	74.525294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3674	28.11
2	A	3071	3029	41.19
3	A	3054	3012	22.67
4	A	3001	2959	20.22
5	A	2893	2853	51.72
6	A	1457	1437	1.52
7	A	1430	1410	16.14
8	A	1417	1397	10.04
9	A	1354	1335	0.33
10	A	1246	1229	120.97
11	A	1196	1180	33.57
12	A	1037	1023	25.37
13	A	992	978	5.77
14	A	914	901	9.79
15	A	575	567	18.28
16	A	399	393	14.46
17	A	361	356	125.71
18	A	179	177	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.508	-0.101
C2	1.229	-0.163	0.011
O3	-1.173	-0.345	0.024
H4	-0.227	1.537	0.260
H5	1.294	-1.021	-0.682
H6	2.039	0.541	-0.238
H7	1.434	-0.561	1.029
H8	-1.984	0.193	-0.020

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4859	1.3839	1.0990	2.1434	2.1346	2.1795	1.9203
C2	1.4859		2.4096	2.2530	1.1045	1.1014	1.1125	3.2329
O3	1.3839	2.4096		2.1199	2.6538	3.3424	2.8030	0.9737
H4	1.0990	2.2530	2.1199		3.1218	2.5249	2.7850	2.2295
H5	2.1434	1.1045	2.6538	3.1218		1.7867	1.7776	3.5572
H6	2.1346	1.1014	3.3424	2.5249	1.7867		1.7849	4.0434
H7	2.1795	1.1125	2.8030	2.7850	1.7776	1.7849		3.6542
H8	1.9203	3.2329	0.9737	2.2295	3.5572	4.0434	3.6542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.823	C1	C2	H6	110.300
C1	C2	H7	113.242	C1	O3	H8	107.808
C2	C1	O3	114.158	C2	C1	H4	120.557
O3	C1	H4	116.785	H5	C2	H6	108.188
H5	C2	H7	106.613	H6	C2	H7	107.458

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

using model chemistry: PBEPBE/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	0.048
2	C	-0.394
3	O	-0.449
4	H	0.086
5	H	0.138
6	H	0.127
7	H	0.126
8	H	0.318

	x	y	z	Total
	-0.652	1.100	0.254	1.304
CHELPG
AIM
ESP

	x	y	z
x	4.935	-0.158	0.062
y	-0.158	3.951	0.044
z	0.062	0.044	2.899

<r²>	51.716
(<r²>)^1/2	7.191

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

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

States and conformations

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