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	hartrees
Energy at 0K	-153.869625
Energy at 298.15K	-153.874689
HF Energy	-153.446937
Nuclear repulsion energy	74.893509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3790	3790
2	A	3211	3211
3	A	3189	3189
4	A	3164	3164
5	A	3075	3075
6	A	1560	1560
7	A	1535	1535
8	A	1506	1506
9	A	1446	1446
10	A	1323	1323
11	A	1241	1241
12	A	1101	1101
13	A	1077	1077
14	A	962	962
15	A	677	677
16	A	420	420
17	A	382	382
18	A	195	195

Atom	x (Å)	y (Å)	z (Å)
C1	-0.090	0.517	-0.113
C2	1.223	-0.167	0.013
O3	-1.162	-0.344	0.026
H4	-0.222	1.522	0.289
H5	1.270	-1.017	-0.674
H6	2.035	0.523	-0.228
H7	1.391	-0.553	1.028
H8	-1.980	0.177	-0.023

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4859	1.3813	1.0899	2.1257	2.1286	2.1536	1.9220
C2	1.4859		2.3912	2.2399	1.0935	1.0926	1.0990	3.2214
O3	1.3813	2.3912		2.1048	2.6188	3.3220	2.7499	0.9712
H4	1.0899	2.2399	2.1048		3.0982	2.5224	2.7298	2.2343
H5	2.1257	1.0935	2.6188	3.0982		1.7759	1.7684	3.5232
H6	2.1286	1.0926	3.3220	2.5224	1.7759		1.7750	4.0351
H7	2.1536	1.0990	2.7499	2.7298	1.7684	1.7750		3.6053
H8	1.9220	3.2214	0.9712	2.2343	3.5232	4.0351	3.6053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.063	C1	C2	H6	110.347
C1	C2	H7	111.979	C1	O3	H8	108.304
C2	C1	O3	112.966	C2	C1	H4	120.044
O3	C1	H4	116.308	H5	C2	H6	108.651
H5	C2	H7	107.520	H6	C2	H7	108.173

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	0.110
2	C	-0.510
3	O	-0.706
4	H	0.143
5	H	0.182
6	H	0.163
7	H	0.170
8	H	0.447

	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>	51.354
(<r²>)^1/2	7.166

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)