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	hartrees
Energy at 0K	-154.000215
Energy at 298.15K	-154.005225
HF Energy	-153.470263
Nuclear repulsion energy	75.181341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3898	3898
2	A	3217	3217
3	A	3201	3201
4	A	3163	3163
5	A	3073	3073
6	A	1525	1525
7	A	1500	1500
8	A	1481	1481
9	A	1412	1412
10	A	1302	1302
11	A	1239	1239
12	A	1079	1079
13	A	1043	1043
14	A	949	949
15	A	633	633
16	A	408	408
17	A	377	377
18	A	185	185

Atom	x (Å)	y (Å)	z (Å)
C1	-0.095	0.512	-0.109
C2	1.222	-0.164	0.013
O3	-1.158	-0.344	0.023
H4	-0.232	1.520	0.272
H5	1.273	-1.016	-0.668
H6	2.029	0.526	-0.234
H7	1.399	-0.545	1.026
H8	-1.964	0.177	-0.003

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4854	1.3708	1.0861	2.1259	2.1274	2.1531	1.9020
C2	1.4854		2.3868	2.2398	1.0915	1.0898	1.0968	3.2044
O3	1.3708	2.3868		2.0960	2.6154	3.3131	2.7540	0.9597
H4	1.0861	2.2398	2.0960		3.0951	2.5205	2.7369	2.2094
H5	2.1259	1.0915	2.6154	3.0951		1.7710	1.7626	3.5137
H6	2.1274	1.0898	3.3131	2.5205	1.7710		1.7693	4.0147
H7	2.1531	1.0968	2.7540	2.7369	1.7626	1.7693		3.5900
H8	1.9020	3.2044	0.9597	2.2094	3.5137	4.0147	3.5900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.241	C1	C2	H6	110.457
C1	C2	H7	112.111	C1	O3	H8	108.095
C2	C1	O3	113.305	C2	C1	H4	120.358
O3	C1	H4	116.621	H5	C2	H6	108.565
H5	C2	H7	107.313	H6	C2	H7	108.027

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

using model chemistry: ROMP2/6-31G(2df,p)

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	0.057
2	C	-0.420
3	O	-0.524
4	H	0.118
5	H	0.151
6	H	0.137
7	H	0.139
8	H	0.343

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

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

using model chemistry: ROMP2/6-31G(2df,p)

States and conformations

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