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	hartrees
Energy at 0K	-154.084474
Energy at 298.15K	-154.089464
HF Energy	-153.513964
Nuclear repulsion energy	75.222404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3874	3874
2	A	3200	3200
3	A	3178	3178
4	A	3127	3127
5	A	3037	3037
6	A	1511	1511
7	A	1485	1485
8	A	1473	1473
9	A	1399	1399
10	A	1288	1288
11	A	1229	1229
12	A	1075	1075
13	A	1033	1033
14	A	945	945
15	A	590	590
16	A	409	409
17	A	371	371
18	A	187	187

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.509	-0.103
C2	1.222	-0.164	0.013
O3	-1.161	-0.342	0.020
H4	-0.231	1.522	0.252
H5	1.283	-0.999	-0.684
H6	2.026	0.533	-0.211
H7	1.389	-0.565	1.018
H8	-1.966	0.181	0.006

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4804	1.3726	1.0823	2.1218	2.1197	2.1448	1.9068
C2	1.4804		2.3895	2.2392	1.0891	1.0872	1.0949	3.2071
O3	1.3726	2.3895		2.0961	2.6267	3.3125	2.7472	0.9607
H4	1.0823	2.2392	2.0961		3.0866	2.5073	2.7511	2.2067
H5	2.1218	1.0891	2.6267	3.0866		1.7673	1.7597	3.5254
H6	2.1197	1.0872	3.3125	2.5073	1.7673		1.7663	4.0134
H7	2.1448	1.0949	2.7472	2.7511	1.7597	1.7663		3.5830
H8	1.9068	3.2071	0.9607	2.2067	3.5254	4.0134	3.5830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.405	C1	C2	H6	110.355
C1	C2	H7	111.913	C1	O3	H8	108.323
C2	C1	O3	113.707	C2	C1	H4	121.016
O3	C1	H4	116.769	H5	C2	H6	108.596
H5	C2	H7	107.362	H6	C2	H7	108.091

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

using model chemistry: ROMP2/cc-pVTZ

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	0.007
2	C	-0.247
3	O	-0.356
4	H	0.094
5	H	0.102
6	H	0.088
7	H	0.087
8	H	0.225

	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>	51.223
(<r²>)^1/2	7.157

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

using model chemistry: ROMP2/cc-pVTZ

States and conformations

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