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	hartrees
Energy at 0K	-153.471472
Energy at 298.15K	-153.475639
Nuclear repulsion energy	70.340795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3879	3675	34.49
2	A'	3306	3132	5.90
3	A'	3248	3077	4.98
4	A'	3202	3034	4.38
5	A'	1742	1651	131.95
6	A'	1476	1398	14.65
7	A'	1391	1318	0.58
8	A'	1352	1281	5.86
9	A'	1144	1084	168.10
10	A'	977	925	9.63
11	A'	492	466	12.77
12	A"	1021	968	23.50
13	A"	848	803	51.66
14	A"	730	691	0.02
15	A"	459	435	106.92

Atom	x (Å)	y (Å)
C1	1.213	-0.110
C2	0.000	0.441
O3	-1.194	-0.210
H4	1.362	-1.183
H5	2.090	0.521
H6	-0.153	1.513
H7	-1.021	-1.155

	C1	C2	O3	H4	H5	H6	H7
C1		1.3320	2.4095	1.0840	1.0801	2.1211	2.4665
C2	1.3320		1.3604	2.1194	2.0915	1.0835	1.8943
O3	2.4095	1.3604		2.7351	3.3648	2.0139	0.9603
H4	1.0840	2.1194	2.7351		1.8533	3.0929	2.3829
H5	1.0801	2.0915	3.3648	1.8533		2.4526	3.5336
H6	2.1211	1.0835	2.0139	3.0929	2.4526		2.8059
H7	2.4665	1.8943	0.9603	2.3829	3.5336	2.8059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.006	C1	C2	H6	122.512
C2	C1	H4	122.286	C2	C1	H5	119.887
C2	O3	H7	108.188	O3	C2	H6	110.482
H4	C1	H5	117.827

All results from a given calculation for CH₂CHOH (ethenol)

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHOH (ethenol)