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	hartrees
Energy at 0K	-153.466480
Energy at 298.15K	-153.470563
Nuclear repulsion energy	69.978232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3853	3853
2	A'	3259	3259
3	A'	3204	3204
4	A'	3152	3152
5	A'	1695	1695
6	A'	1453	1453
7	A'	1375	1375
8	A'	1324	1324
9	A'	1131	1131
10	A'	957	957
11	A'	483	483
12	A"	972	972
13	A"	764	764
14	A"	695	695
15	A"	435	435

Atom	x (Å)	y (Å)
C1	1.219	-0.120
C2	0.000	0.446
O3	-1.202	-0.204
H4	1.354	-1.201
H5	2.105	0.506
H6	-0.145	1.524
H7	-1.015	-1.149

	C1	C2	O3	H4	H5	H6	H7
C1		1.3442	2.4224	1.0892	1.0847	2.1364	2.4598
C2	1.3442		1.3662	2.1316	2.1058	1.0876	1.8901
O3	2.4224	1.3662		2.7428	3.3820	2.0251	0.9626
H4	1.0892	2.1316	2.7428		1.8651	3.1097	2.3693
H5	1.0847	2.1058	3.3820	1.8651		2.4697	3.5317
H6	2.1364	1.0876	2.0251	3.1097	2.4697		2.8102
H7	2.4598	1.8901	0.9626	2.3693	3.5317	2.8102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.697	C1	C2	H6	122.577
C2	C1	H4	121.977	C2	C1	H5	119.842
C2	O3	H7	107.238	O3	C2	H6	110.725
H4	C1	H5	118.181

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: QCISD(T)/6-311G**

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)/6-311G**

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)