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	hartrees
Energy at 0K	-152.882217
Energy at 298.15K	-152.887230
HF Energy	-152.595817
Nuclear repulsion energy	73.780688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3550	3550
2	A	3176	3176
3	A	3148	3148
4	A	3134	3134
5	A	3058	3058
6	A	1600	1600
7	A	1578	1578
8	A	1496	1496
9	A	1480	1480
10	A	1311	1311
11	A	1188	1188
12	A	1120	1120
13	A	1061	1061
14	A	925	925
15	A	687	687
16	A	401	401
17	A	367	367
18	A	176	176

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	0.533	-0.110
C2	1.240	-0.178	0.012
O3	-1.186	-0.345	0.028
H4	-0.183	1.540	0.295
H5	1.236	-1.061	-0.635
H6	2.053	0.486	-0.296
H7	1.435	-0.514	1.040
H8	-2.023	0.178	-0.042

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5043	1.4189	1.0901	2.1323	2.1414	2.1710	1.9769
C2	1.5043		2.4318	2.2487	1.0942	1.0941	1.0996	3.2834
O3	1.4189	2.4318		2.1516	2.6109	3.3595	2.8142	0.9900
H4	1.0901	2.2487	2.1516		3.1050	2.5413	2.7183	2.3142
H5	2.1323	1.0942	2.6109	3.1050		1.7823	1.7738	3.5368
H6	2.1414	1.0941	3.3595	2.5413	1.7823		1.7802	4.0960
H7	2.1710	1.0996	2.8142	2.7183	1.7738	1.7802		3.6889
H8	1.9769	3.2834	0.9900	2.3142	3.5368	4.0960	3.6889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.268	C1	C2	H6	109.997
C1	C2	H7	112.035	C1	O3	H8	109.010
C2	C1	O3	112.555	C2	C1	H4	119.308
O3	C1	H4	117.485	H5	C2	H6	109.074
H5	C2	H7	107.910	H6	C2	H7	108.492

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

using model chemistry: ROMP2/3-21G

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	0.109
2	C	-0.650
3	O	-0.672
4	H	0.179
5	H	0.232
6	H	0.204
7	H	0.216
8	H	0.382

	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>	52.540
(<r²>)^1/2	7.248

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

using model chemistry: ROMP2/3-21G

States and conformations

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