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	hartrees
Energy at 0K	-306.734166
Energy at 298.15K	-306.743571
HF Energy	-305.814804
Nuclear repulsion energy	248.955139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3313	3103	0.79
2	A₁	3265	3057	20.76
3	A₁	3115	2917	5.70
4	A₁	1749	1638	191.69
5	A₁	1575	1475	2.43
6	A₁	1530	1433	5.79
7	A₁	1470	1377	12.37
8	A₁	1252	1173	4.44
9	A₁	1192	1117	0.38
10	A₁	902	845	41.00
11	A₁	506	473	0.27
12	A₁	276	258	4.41
13	A₂	3202	2999	0.00
14	A₂	1549	1451	0.00
15	A₂	1203	1127	0.00
16	A₂	686	642	0.00
17	A₂	259	243	0.00
18	A₂	126	118	0.00
19	B₁	3203	2999	66.39
20	B₁	1549	1451	10.28
21	B₁	1208	1131	2.84
22	B₁	681	638	32.60
23	B₁	646	605	55.48
24	B₁	278	261	0.02
25	B₁	97	91	9.40
26	B₂	3412	3195	3.05
27	B₂	3265	3057	13.70
28	B₂	3115	2917	57.58
29	B₂	1571	1471	15.98
30	B₂	1531	1434	29.88
31	B₂	1382	1295	490.42
32	B₂	1242	1163	17.88
33	B₂	1090	1021	93.33
34	B₂	965	904	0.54
35	B₂	564	528	0.07
36	B₂	391	366	7.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.415
C2	0.000	0.000	0.069
H3	0.000	0.919	1.971
H4	0.000	-0.919	1.971
O5	0.000	1.082	-0.749
O6	0.000	-1.082	-0.749
C7	0.000	2.348	-0.097
C8	0.000	-2.348	-0.097
H9	0.000	3.084	-0.894
H10	0.000	-3.084	-0.894
H11	-0.890	2.468	0.522
H12	0.890	2.468	0.522
H13	0.890	-2.468	0.522
H14	-0.890	-2.468	0.522

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3462	1.0743	1.0743	2.4193	2.4193	2.7927	2.7927	3.8527	3.8527	2.7718	2.7718	2.7718	2.7718
C2	1.3462		2.1123	2.1123	1.3563	1.3563	2.3537	2.3537	3.2310	3.2310	2.6628	2.6628	2.6628	2.6628
H3	1.0743	2.1123		1.8390	2.7241	3.3766	2.5131	3.8666	3.5903	4.9228	2.2999	2.2999	3.7906	3.7906
H4	1.0743	2.1123	1.8390		3.3766	2.7241	3.8666	2.5131	4.9228	3.5903	3.7906	3.7906	2.2999	2.2999
O5	2.4193	1.3563	2.7241	3.3766		2.1645	1.4235	3.4915	2.0072	4.1691	2.0804	2.0804	3.8748	3.8748
O6	2.4193	1.3563	3.3766	2.7241	2.1645		3.4915	1.4235	4.1691	2.0072	3.8748	3.8748	2.0804	2.0804
C7	2.7927	2.3537	2.5131	3.8666	1.4235	3.4915		4.6957	1.0848	5.4902	1.0908	1.0908	4.9368	4.9368
C8	2.7927	2.3537	3.8666	2.5131	3.4915	1.4235	4.6957		5.4902	1.0848	4.9368	4.9368	1.0908	1.0908
H9	3.8527	3.2310	3.5903	4.9228	2.0072	4.1691	1.0848	5.4902		6.1685	1.7820	1.7820	5.7990	5.7990
H10	3.8527	3.2310	4.9228	3.5903	4.1691	2.0072	5.4902	1.0848	6.1685		5.7990	5.7990	1.7820	1.7820
H11	2.7718	2.6628	2.2999	3.7906	2.0804	3.8748	1.0908	4.9368	1.7820	5.7990		1.7799	5.2479	4.9368
H12	2.7718	2.6628	2.2999	3.7906	2.0804	3.8748	1.0908	4.9368	1.7820	5.7990	1.7799		4.9368	5.2479
H13	2.7718	2.6628	3.7906	2.2999	3.8748	2.0804	4.9368	1.0908	5.7990	1.7820	5.2479	4.9368		1.7799
H14	2.7718	2.6628	3.7906	2.2999	3.8748	2.0804	4.9368	1.0908	5.7990	1.7820	4.9368	5.2479	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.067	C1	C2	O6	127.067
C2	C1	H3	121.138	C2	C1	H4	121.138
C2	O5	C7	115.693	C2	O6	C8	115.693
H3	C1	H4	117.725	O5	C2	O6	105.865
O5	C7	H9	105.513	O5	C7	H11	110.981
O5	C7	H12	110.981	O6	C8	H10	105.513
O6	C8	H13	110.981	O6	C8	H14	110.981
H9	C7	H11	109.982	H9	C7	H12	109.982
H10	C8	H13	109.982	H10	C8	H14	109.982
H11	C7	H12	109.347	H13	C8	H14	109.347

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

using model chemistry: MP2/6-31G**

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

using model chemistry: MP2/6-31G**

States and conformations

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