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	hartrees
Energy at 0K	-153.410518
Energy at 298.15K	-153.414567
HF Energy	-152.905779
Nuclear repulsion energy	69.797732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3845	3611
2	A'	3315	3113
3	A'	3265	3066
4	A'	3207	3012
5	A'	1708	1604
6	A'	1475	1385
7	A'	1363	1280
8	A'	1328	1247
9	A'	1121	1053
10	A'	961	902
11	A'	484	455
12	A"	967	908
13	A"	771	724
14	A"	689	647
15	A"	407	382

Atom	x (Å)	y (Å)
C1	1.223	-0.107
C2	0.000	0.451
O3	-1.202	-0.219
H4	1.370	-1.181
H5	2.099	0.525
H6	-0.162	1.521
H7	-1.029	-1.171

	C1	C2	O3	H4	H5	H6	H7
C1		1.3440	2.4272	1.0844	1.0805	2.1376	2.4906
C2	1.3440		1.3759	2.1311	2.1002	1.0826	1.9206
O3	2.4272	1.3759		2.7463	3.3836	2.0272	0.9671
H4	1.0844	2.1311	2.7463		1.8557	3.1069	2.3996
H5	1.0805	2.1002	3.3836	1.8557		2.4707	3.5583
H6	2.1376	1.0826	2.0272	3.1069	2.4707		2.8281
H7	2.4906	1.9206	0.9671	2.3996	3.5583	2.8281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.342	C1	C2	H6	123.140
C2	C1	H4	122.344	C2	C1	H5	119.655
C2	O3	H7	108.856	O3	C2	H6	110.518
H4	C1	H5	118.001

All results from a given calculation for CH₂CHOH (ethenol)

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

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)/6-31+G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)