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	hartrees
Energy at 0K	-306.861156
Energy at 298.15K	-306.870596
HF Energy	-305.883871
Nuclear repulsion energy	249.590577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3095	1.12
2	A₁	3210	3050	20.37
3	A₁	3065	2912	6.58
4	A₁	1712	1627	226.26
5	A₁	1540	1463	5.30
6	A₁	1509	1434	11.68
7	A₁	1441	1370	9.34
8	A₁	1246	1184	3.73
9	A₁	1194	1135	0.69
10	A₁	903	858	40.27
11	A₁	509	484	0.55
12	A₁	280	266	4.25
13	A₂	3144	2988	0.00
14	A₂	1511	1435	0.00
15	A₂	1199	1139	0.00
16	A₂	670	637	0.00
17	A₂	257	244	0.00
18	A₂	134	127	0.00
19	B₁	3145	2988	66.99
20	B₁	1510	1435	15.47
21	B₁	1203	1143	3.29
22	B₁	678	644	4.23
23	B₁	659	627	86.99
24	B₁	272	258	0.01
25	B₁	98	93	8.84
26	B₂	3353	3186	2.38
27	B₂	3210	3050	14.17
28	B₂	3065	2912	58.46
29	B₂	1537	1460	10.96
30	B₂	1514	1438	49.81
31	B₂	1370	1302	506.46
32	B₂	1235	1174	14.42
33	B₂	1087	1033	87.62
34	B₂	959	911	1.71
35	B₂	564	536	0.12
36	B₂	396	376	7.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.412
C2	0.000	0.000	0.061
H3	0.000	0.924	1.967
H4	0.000	-0.924	1.967
O5	0.000	1.078	-0.748
O6	0.000	-1.078	-0.748
C7	0.000	2.337	-0.095
C8	0.000	-2.337	-0.095
H9	0.000	3.081	-0.890
H10	0.000	-3.081	-0.890
H11	-0.894	2.458	0.527
H12	0.894	2.458	0.527
H13	0.894	-2.458	0.527
H14	-0.894	-2.458	0.527

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3501	1.0781	1.0781	2.4136	2.4136	2.7806	2.7806	3.8455	3.8455	2.7609	2.7609	2.7609	2.7609
C2	1.3501		2.1179	2.1179	1.3481	1.3481	2.3426	2.3426	3.2243	3.2243	2.6563	2.6563	2.6563	2.6563
H3	1.0781	2.1179		1.8480	2.7193	3.3734	2.4997	3.8584	3.5797	4.9194	2.2862	2.2862	3.7829	3.7829
H4	1.0781	2.1179	1.8480		3.3734	2.7193	3.8584	2.4997	4.9194	3.5797	3.7829	3.7829	2.2862	2.2862
O5	2.4136	1.3481	2.7193	3.3734		2.1565	1.4185	3.4775	2.0075	4.1613	2.0799	2.0799	3.8634	3.8634
O6	2.4136	1.3481	3.3734	2.7193	2.1565		3.4775	1.4185	4.1613	2.0075	3.8634	3.8634	2.0799	2.0799
C7	2.7806	2.3426	2.4997	3.8584	1.4185	3.4775		4.6747	1.0886	5.4761	1.0950	1.0950	4.9171	4.9171
C8	2.7806	2.3426	3.8584	2.4997	3.4775	1.4185	4.6747		5.4761	1.0886	4.9171	4.9171	1.0950	1.0950
H9	3.8455	3.2243	3.5797	4.9194	2.0075	4.1613	1.0886	5.4761		6.1614	1.7870	1.7870	5.7862	5.7862
H10	3.8455	3.2243	4.9194	3.5797	4.1613	2.0075	5.4761	1.0886	6.1614		5.7862	5.7862	1.7870	1.7870
H11	2.7609	2.6563	2.2862	3.7829	2.0799	3.8634	1.0950	4.9171	1.7870	5.7862		1.7875	5.2305	4.9156
H12	2.7609	2.6563	2.2862	3.7829	2.0799	3.8634	1.0950	4.9171	1.7870	5.7862	1.7875		4.9156	5.2305
H13	2.7609	2.6563	3.7829	2.2862	3.8634	2.0799	4.9171	1.0950	5.7862	1.7870	5.2305	4.9156		1.7875
H14	2.7609	2.6563	3.7829	2.2862	3.8634	2.0799	4.9171	1.0950	5.7862	1.7870	4.9156	5.2305	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.889	C1	C2	O6	126.889
C2	C1	H3	121.017	C2	C1	H4	121.017
C2	O5	C7	115.694	C2	O6	C8	115.694
H3	C1	H4	117.966	O5	C2	O6	106.223
O5	C7	H9	105.647	O5	C7	H11	111.027
O5	C7	H12	111.027	O6	C8	H10	105.647
O6	C8	H13	111.027	O6	C8	H14	111.027
H9	C7	H11	109.834	H9	C7	H12	109.834
H10	C8	H13	109.834	H10	C8	H14	109.834
H11	C7	H12	109.411	H13	C8	H14	109.411

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

using model chemistry: MP2/6-311G**

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 C4H8O2 (Ethene, 1,1-dimethoxy-)

using model chemistry: MP2/6-311G**

States and conformations

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