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	hartrees
Energy at 0K	-153.936329
Energy at 298.15K	-153.941388
HF Energy	-153.482489
Nuclear repulsion energy	75.074193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3869	3869
2	A	3187	3187
3	A	3166	3166
4	A	3135	3135
5	A	3043	3043
6	A	1537	1537
7	A	1510	1510
8	A	1496	1496
9	A	1430	1430
10	A	1327	1327
11	A	1238	1238
12	A	1094	1094
13	A	1060	1060
14	A	956	956
15	A	648	648
16	A	422	422
17	A	389	389
18	A	190	190

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.513	-0.112
C2	1.224	-0.165	0.013
O3	-1.160	-0.342	0.024
H4	-0.230	1.520	0.280
H5	1.272	-1.020	-0.666
H6	2.034	0.523	-0.235
H7	1.393	-0.543	1.031
H8	-1.973	0.167	-0.007

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4869	1.3735	1.0892	2.1267	2.1309	2.1522	1.9139
C2	1.4869		2.3897	2.2417	1.0926	1.0914	1.0986	3.2137
O3	1.3735	2.3897		2.0973	2.6168	3.3184	2.7518	0.9598
H4	1.0892	2.2417	2.0973		3.0991	2.5269	2.7305	2.2256
H5	2.1267	1.0926	2.6168	3.0991		1.7737	1.7664	3.5172
H6	2.1309	1.0914	3.3184	2.5269	1.7737		1.7741	4.0289
H7	2.1522	1.0986	2.7518	2.7305	1.7664	1.7741		3.5935
H8	1.9139	3.2137	0.9598	2.2256	3.5172	4.0289	3.5935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.129	C1	C2	H6	110.534
C1	C2	H7	111.818	C1	O3	H8	108.933
C2	C1	O3	113.265	C2	C1	H4	120.176
O3	C1	H4	116.300	H5	C2	H6	108.606
H5	C2	H7	107.435	H6	C2	H7	108.205

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

using model chemistry: ROMP2/6-311G*

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	0.002
2	C	-0.628
3	O	-0.617
4	H	0.183
5	H	0.222
6	H	0.206
7	H	0.209
8	H	0.423

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	51.348
(<r²>)^1/2	7.166

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

using model chemistry: ROMP2/6-311G*

States and conformations

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