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	hartrees
Energy at 0K	-153.958143
Energy at 298.15K	-153.963139
HF Energy	-153.477599
Nuclear repulsion energy	74.548158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3835	3835
2	A	3192	3192
3	A	3171	3171
4	A	3121	3121
5	A	3029	3029
6	A	1480	1480
7	A	1459	1459
8	A	1449	1449
9	A	1374	1374
10	A	1276	1276
11	A	1200	1200
12	A	1068	1068
13	A	1017	1017
14	A	930	930
15	A	601	601
16	A	407	407
17	A	386	386
18	A	187	187

Atom	x (Å)	y (Å)	z (Å)
C1	-0.090	0.517	-0.107
C2	1.230	-0.168	0.013
O3	-1.169	-0.345	0.023
H4	-0.232	1.536	0.268
H5	1.291	-1.010	-0.695
H6	2.043	0.538	-0.209
H7	1.393	-0.574	1.030
H8	-1.985	0.173	-0.007

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4916	1.3873	1.0953	2.1408	2.1355	2.1633	1.9288
C2	1.4916		2.4054	2.2603	1.1015	1.0999	1.1073	3.2328
O3	1.3873	2.4054		2.1154	2.6473	3.3396	2.7620	0.9665
H4	1.0953	2.2603	2.1154		3.1195	2.5306	2.7703	2.2372
H5	2.1408	1.1015	2.6473	3.1195		1.7887	1.7821	3.5498
H6	2.1355	1.0999	3.3396	2.5306	1.7887		1.7877	4.0497
H7	2.1633	1.1073	2.7620	2.7703	1.7821	1.7877		3.6111
H8	1.9288	3.2328	0.9665	2.2372	3.5498	4.0497	3.6111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.392	C1	C2	H6	110.066
C1	C2	H7	111.840	C1	O3	H8	108.736
C2	C1	O3	113.293	C2	C1	H4	121.027
O3	C1	H4	116.382	H5	C2	H6	108.693
H5	C2	H7	107.570	H6	C2	H7	108.180

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

using model chemistry: ROMP2/aug-cc-pVDZ

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	0.640
2	C	0.164
3	O	-0.695
4	H	-0.263
5	H	-0.006
6	H	-0.024
7	H	0.006
8	H	0.178

	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>	52.020
(<r²>)^1/2	7.213

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

using model chemistry: ROMP2/aug-cc-pVDZ

States and conformations

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