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	hartrees
Energy at 0K	-307.339496
Energy at 298.15K	-307.348750
Nuclear repulsion energy	247.900588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3103	0.03
2	A₁	3084	3051	25.47
3	A₁	2943	2912	8.92
4	A₁	1650	1633	228.40
5	A₁	1481	1466	5.29
6	A₁	1450	1435	14.94
7	A₁	1383	1369	7.69
8	A₁	1200	1188	2.92
9	A₁	1140	1128	0.11
10	A₁	869	860	36.93
11	A₁	494	489	0.50
12	A₁	265	262	4.33
13	A₂	3003	2972	0.00
14	A₂	1456	1441	0.00
15	A₂	1146	1134	0.00
16	A₂	649	642	0.00
17	A₂	249	246	0.00
18	A₂	130	129	0.00
19	B₁	3004	2973	90.41
20	B₁	1456	1441	19.95
21	B₁	1151	1139	0.72
22	B₁	668	661	58.25
23	B₁	650	643	37.81
24	B₁	273	270	0.00
25	B₁	101	100	8.24
26	B₂	3215	3182	6.63
27	B₂	3083	3051	16.84
28	B₂	2942	2912	79.61
29	B₂	1476	1461	18.66
30	B₂	1451	1436	48.35
31	B₂	1299	1285	445.38
32	B₂	1186	1173	20.95
33	B₂	1039	1028	103.80
34	B₂	918	909	1.00
35	B₂	547	541	0.52
36	B₂	376	372	8.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.425
C2	0.000	0.000	0.073
H3	0.000	0.927	1.993
H4	0.000	-0.927	1.993
O5	0.000	1.084	-0.744
O6	0.000	-1.084	-0.744
C7	0.000	2.358	-0.108
C8	0.000	-2.358	-0.108
H9	0.000	3.094	-0.920
H10	0.000	-3.094	-0.920
H11	-0.900	2.494	0.516
H12	0.900	2.494	0.516
H13	0.900	-2.494	0.516
H14	-0.900	-2.494	0.516

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3515	1.0873	1.0873	2.4246	2.4246	2.8122	2.8122	3.8824	3.8824	2.8025	2.8025	2.8025	2.8025
C2	1.3515		2.1317	2.1317	1.3575	1.3575	2.3645	2.3645	3.2497	3.2497	2.6878	2.6878	2.6878	2.6878
H3	1.0873	2.1317		1.8542	2.7414	3.3963	2.5419	3.8992	3.6309	4.9656	2.3334	2.3334	3.8331	3.8331
H4	1.0873	2.1317	1.8542		3.3963	2.7414	3.8992	2.5419	4.9656	3.6309	3.8331	3.8331	2.3334	2.3334
O5	2.4246	1.3575	2.7414	3.3963		2.1678	1.4235	3.4997	2.0179	4.1816	2.0941	2.0941	3.8983	3.8983
O6	2.4246	1.3575	3.3963	2.7414	2.1678		3.4997	1.4235	4.1816	2.0179	3.8983	3.8983	2.0941	2.0941
C7	2.8122	2.3645	2.5419	3.8992	1.4235	3.4997		4.7151	1.0963	5.5117	1.1037	1.1037	4.9733	4.9733
C8	2.8122	2.3645	3.8992	2.5419	3.4997	1.4235	4.7151		5.5117	1.0963	4.9733	4.9733	1.1037	1.1037
H9	3.8824	3.2497	3.6309	4.9656	2.0179	4.1816	1.0963	5.5117		6.1880	1.7983	1.7983	5.8391	5.8391
H10	3.8824	3.2497	4.9656	3.6309	4.1816	2.0179	5.5117	1.0963	6.1880		5.8391	5.8391	1.7983	1.7983
H11	2.8025	2.6878	2.3334	3.8331	2.0941	3.8983	1.1037	4.9733	1.7983	5.8391		1.7999	5.3021	4.9873
H12	2.8025	2.6878	2.3334	3.8331	2.0941	3.8983	1.1037	4.9733	1.7983	5.8391	1.7999		4.9873	5.3021
H13	2.8025	2.6878	3.8331	2.3334	3.8983	2.0941	4.9733	1.1037	5.8391	1.7983	5.3021	4.9873		1.7999
H14	2.8025	2.6878	3.8331	2.3334	3.8983	2.0941	4.9733	1.1037	5.8391	1.7983	4.9873	5.3021	1.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.020	C1	C2	O6	127.020
C2	C1	H3	121.497	C2	C1	H4	121.497
C2	O5	C7	116.455	C2	O6	C8	116.455
H3	C1	H4	117.007	O5	C2	O6	105.960
O5	C7	H9	105.677	O5	C7	H11	111.281
O5	C7	H12	111.281	O6	C8	H10	105.677
O6	C8	H13	111.281	O6	C8	H14	111.281
H9	C7	H11	109.648	H9	C7	H12	109.648
H10	C8	H13	109.648	H10	C8	H14	109.648
H11	C7	H12	109.244	H13	C8	H14	109.244

All results from a given calculation for C₄H₈O₂ (Ethene, 1,1-dimethoxy-)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.663
2	C	0.418
3	H	0.215
4	H	0.215
5	O	-0.261
6	O	-0.261
7	C	-0.504
8	C	-0.504
9	H	0.233
10	H	0.233
11	H	0.220
12	H	0.220
13	H	0.220
14	H	0.220

<r²>	188.279
(<r²>)^1/2	13.721

All results from a given calculation for C4H8O2 (Ethene, 1,1-dimethoxy-)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₄H₈O₂ (Ethene, 1,1-dimethoxy-)