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	hartrees
Energy at 0K	-153.676057
Energy at 298.15K	-153.681078
HF Energy	-153.385797
Nuclear repulsion energy	73.753996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3676	3676
2	A	3173	3173
3	A	3155	3155
4	A	3118	3118
5	A	3036	3036
6	A	1570	1570
7	A	1546	1546
8	A	1498	1498
9	A	1463	1463
10	A	1299	1299
11	A	1180	1180
12	A	1110	1110
13	A	1082	1082
14	A	933	933
15	A	662	662
16	A	414	414
17	A	373	373
18	A	181	181

Atom	x (Å)	y (Å)	z (Å)
C1	-0.074	0.532	-0.106
C2	1.240	-0.178	0.011
O3	-1.189	-0.340	0.027
H4	-0.200	1.545	0.281
H5	1.264	-1.037	-0.672
H6	2.061	0.503	-0.250
H7	1.420	-0.558	1.032
H8	-2.034	0.146	-0.041

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4984	1.4215	1.0922	2.1380	2.1401	2.1708	1.9988
C2	1.4984		2.4345	2.2620	1.0980	1.0979	1.1034	3.2910
O3	1.4215	2.4345		2.1439	2.6436	3.3687	2.8035	0.9778
H4	1.0922	2.2620	2.1439		3.1176	2.5460	2.7582	2.3290
H5	2.1380	1.0980	2.6436	3.1176		1.7846	1.7767	3.5602
H6	2.1401	1.0979	3.3687	2.5460	1.7846		1.7832	4.1160
H7	2.1708	1.1034	2.8035	2.7582	1.7767	1.7832		3.6843
H8	1.9988	3.2910	0.9778	2.3290	3.5602	4.1160	3.6843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.912	C1	C2	H6	110.084
C1	C2	H7	112.203	C1	O3	H8	111.491
C2	C1	O3	112.954	C2	C1	H4	120.863
O3	C1	H4	116.445	H5	C2	H6	108.722
H5	C2	H7	107.620	H6	C2	H7	108.201

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

using model chemistry: ROMP2/6-31G

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	0.178
2	C	-0.497
3	O	-0.746
4	H	0.141
5	H	0.185
6	H	0.156
7	H	0.170
8	H	0.412

	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>	52.747
(<r²>)^1/2	7.263

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

using model chemistry: ROMP2/6-31G

States and conformations

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