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	hartrees
Energy at 0K	-41.985952
Energy at 298.15K	-41.991662
Nuclear repulsion energy	84.569975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3308	3168	29.72
2	A₁	3211	3075	5.43
3	A₁	3171	3037	48.77
4	A₁	1746	1672	2.04
5	A₁	1427	1366	0.85
6	A₁	1350	1292	6.37
7	A₁	1158	1109	21.69
8	A₁	829	794	0.72
9	A₁	502	481	0.08
10	A₁	216	207	0.16
11	A₂	958	918	0.00
12	A₂	903	864	0.00
13	A₂	703	674	0.00
14	A₂	120	115	0.00
15	B₁	974	932	88.61
16	B₁	907	868	201.10
17	B₁	676	647	12.31
18	B₁	94	90	3.90
19	B₂	3308	3167	12.88
20	B₂	3210	3074	1.18
21	B₂	3165	3031	6.99
22	B₂	1697	1624	419.03
23	B₂	1415	1355	38.22
24	B₂	1315	1259	14.05
25	B₂	1212	1160	424.38
26	B₂	1004	962	2.37
27	B₂	465	445	4.70

Atom	y (Å)	z (Å)
O1	0.000	0.321
C2	1.201	-0.392
C3	-1.201	-0.392
C4	2.402	0.255
C5	-2.402	0.255
H6	1.099	-1.484
H7	-1.099	-1.484
H8	3.327	-0.325
H9	2.458	1.345
H10	-3.327	-0.325
H11	-2.458	1.345

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.3966	1.3966	2.4032	2.4032	2.1134	2.1134	3.3890	2.6629	3.3890	2.6629
C2	1.3966		2.4019	1.3647	3.6609	1.0967	2.5464	2.1269	2.1444	4.5282	4.0505
C3	1.3966	2.4019		3.6609	1.3647	2.5464	1.0967	4.5282	4.0505	2.1269	2.1444
C4	2.4032	1.3647	3.6609		4.8046	2.1733	3.9099	1.0917	1.0912	5.7585	4.9810
C5	2.4032	3.6609	1.3647	4.8046		3.9099	2.1733	5.7585	4.9810	1.0917	1.0912
H6	2.1134	1.0967	2.5464	2.1733	3.9099		2.1988	2.5109	3.1386	4.5754	4.5453
H7	2.1134	2.5464	1.0967	3.9099	2.1733	2.1988		4.5754	4.5453	2.5109	3.1386
H8	3.3890	2.1269	4.5282	1.0917	5.7585	2.5109	4.5754		1.8828	6.6536	6.0212
H9	2.6629	2.1444	4.0505	1.0912	4.9810	3.1386	4.5453	1.8828		6.0212	4.9161
H10	3.3890	4.5282	2.1269	5.7585	1.0917	4.5754	2.5109	6.6536	6.0212		1.8828
H11	2.6629	4.0505	2.1444	4.9810	1.0912	4.5453	3.1386	6.0212	4.9161	1.8828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	120.983	O1	C2	H6	115.382
O1	C3	C5	120.983	O1	C3	H7	115.382
C2	O1	C3	118.611	C2	C4	H8	119.549
C2	C4	H9	121.250	C3	C5	H10	119.549
C3	C5	H11	121.250	C4	C2	H6	123.634
C5	C3	H7	123.634	H8	C4	H9	119.200
H10	C5	H11	119.200

All results from a given calculation for CH₂CHOCHCH₂ (Vinyl ether)

using model chemistry: B1B95/CEP-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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Number	Element	Mulliken
1	O	-0.157
2	C	-0.151
3	C	-0.151
4	C	-0.350
5	C	-0.350
6	H	0.198
7	H	0.198
8	H	0.168
9	H	0.213
10	H	0.168
11	H	0.213

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2CHOCHCH2 (Vinyl ether)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for CH₂CHOCHCH₂ (Vinyl ether)