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	hartrees
Energy at 0K	-153.360763
Energy at 298.15K	-153.364860
HF Energy	-152.886239
Nuclear repulsion energy	69.757012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3710	3559
2	A'	3269	3136
3	A'	3219	3088
4	A'	3168	3039
5	A'	1722	1652
6	A'	1478	1418
7	A'	1382	1326
8	A'	1346	1292
9	A'	1136	1090
10	A'	968	928
11	A'	489	469
12	A"	974	934
13	A"	787	755
14	A"	701	672
15	A"	451	433

Atom	x (Å)	y (Å)
C1	1.221	-0.108
C2	0.000	0.448
O3	-1.203	-0.215
H4	1.371	-1.188
H5	2.107	0.520
H6	-0.162	1.525
H7	-1.020	-1.173

	C1	C2	O3	H4	H5	H6	H7
C1		1.3421	2.4264	1.0904	1.0860	2.1401	2.4812
C2	1.3421		1.3738	2.1352	2.1078	1.0887	1.9157
O3	2.4264	1.3738		2.7520	3.3902	2.0278	0.9755
H4	1.0904	2.1352	2.7520		1.8604	3.1164	2.3911
H5	1.0860	2.1078	3.3902	1.8604		2.4807	3.5557
H6	2.1401	1.0887	2.0278	3.1164	2.4807		2.8314
H7	2.4812	1.9157	0.9755	2.3911	3.5557	2.8314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.615	C1	C2	H6	123.050
C2	C1	H4	122.419	C2	C1	H5	120.107
C2	O3	H7	108.061	O3	C2	H6	110.335
H4	C1	H5	117.474

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: QCISD(T)/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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All results from a given calculation for CH2CHOH (ethenol)

using model chemistry: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)