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	hartrees
Energy at 0K	-153.920395
Energy at 298.15K	-153.925411
HF Energy	-153.464620
Nuclear repulsion energy	74.726082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3865	3865
2	A	3199	3199
3	A	3167	3167
4	A	3145	3145
5	A	3049	3049
6	A	1496	1496
7	A	1475	1475
8	A	1464	1464
9	A	1388	1388
10	A	1299	1299
11	A	1229	1229
12	A	1075	1075
13	A	1034	1034
14	A	945	945
15	A	638	638
16	A	410	410
17	A	379	379
18	A	185	185

Atom	x (Å)	y (Å)	z (Å)
C1	-0.097	0.513	-0.113
C2	1.227	-0.164	0.014
O3	-1.164	-0.346	0.023
H4	-0.229	1.532	0.279
H5	1.276	-1.035	-0.662
H6	2.042	0.529	-0.248
H7	1.408	-0.534	1.043
H8	-1.968	0.190	0.004

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4926	1.3772	1.0996	2.1405	2.1430	2.1674	1.9021
C2	1.4926		2.3986	2.2509	1.1028	1.1011	1.1085	3.2146
O3	1.3772	2.3986		2.1138	2.6267	3.3347	2.7738	0.9663
H4	1.0996	2.2509	2.1138		3.1204	2.5373	2.7441	2.2133
H5	2.1405	1.1028	2.6267	3.1204		1.7899	1.7815	3.5309
H6	2.1430	1.1011	3.3347	2.5373	1.7899		1.7879	4.0317
H7	2.1674	1.1085	2.7738	2.7441	1.7815	1.7879		3.6057
H8	1.9021	3.2146	0.9663	2.2133	3.5309	4.0317	3.6057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.211	C1	C2	H6	110.516
C1	C2	H7	112.023	C1	O3	H8	107.215
C2	C1	O3	113.343	C2	C1	H4	119.763
O3	C1	H4	116.731	H5	C2	H6	108.609
H5	C2	H7	107.334	H6	C2	H7	108.023

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

using model chemistry: ROMP2/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	0.039
2	C	-0.046
3	O	-0.322
4	H	0.027
5	H	0.051
6	H	0.036
7	H	0.042
8	H	0.173

	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>	51.633
(<r²>)^1/2	7.186

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

using model chemistry: ROMP2/cc-pVDZ

States and conformations

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