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	hartrees
Energy at 0K	-154.198761
Energy at 298.15K	-154.203779
HF Energy	-154.060684
Nuclear repulsion energy	74.858957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3788	3596	38.62
2	A	3170	3009	56.90
3	A	3155	2995	14.46
4	A	3114	2956	20.90
5	A	3025	2871	35.70
6	A	1544	1466	1.11
7	A	1520	1442	7.84
8	A	1490	1414	17.99
9	A	1436	1363	1.11
10	A	1312	1246	127.23
11	A	1231	1168	36.92
12	A	1086	1031	24.85
13	A	1061	1007	15.11
14	A	950	901	8.59
15	A	650	617	16.49
16	A	416	395	13.69
17	A	375	356	139.38
18	A	189	179	3.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.512	-0.110
C2	1.226	-0.165	0.012
O3	-1.166	-0.343	0.025
H4	-0.226	1.520	0.281
H5	1.284	-1.015	-0.675
H6	2.034	0.530	-0.229
H7	1.406	-0.554	1.026
H8	-1.981	0.178	-0.021

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4865	1.3794	1.0894	2.1317	2.1289	2.1608	1.9207
C2	1.4865		2.3984	2.2411	1.0944	1.0928	1.1008	3.2253
O3	1.3794	2.3984		2.1021	2.6350	3.3262	2.7678	0.9682
H4	1.0894	2.2411	2.1021		3.1020	2.5196	2.7427	2.2297
H5	2.1317	1.0944	2.6350	3.1020		1.7744	1.7668	3.5369
H6	2.1289	1.0928	3.3262	2.5196	1.7744		1.7734	4.0355
H7	2.1608	1.1008	2.7678	2.7427	1.7668	1.7734		3.6197
H8	1.9207	3.2253	0.9682	2.2297	3.5369	4.0355	3.6197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.448	C1	C2	H6	110.314
C1	C2	H7	112.409	C1	O3	H8	108.530
C2	C1	O3	113.568	C2	C1	H4	120.129
O3	C1	H4	116.244	H5	C2	H6	108.443
H5	C2	H7	107.190	H6	C2	H7	107.891

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

using model chemistry: B2PLYP/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	0.045
2	C	-0.486
3	O	-0.584
4	H	0.123
5	H	0.169
6	H	0.156
7	H	0.158
8	H	0.417

	x	y	z	Total
	-0.579	1.243	0.260	1.396
CHELPG
AIM
ESP

	x	y	z
x	4.506	-0.066	0.018
y	-0.066	3.715	0.066
z	0.018	0.066	2.749

<r²>	51.398
(<r²>)^1/2	7.169

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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