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	hartrees
Energy at 0K	-306.912181
Energy at 298.15K	-306.921656
HF Energy	-305.871264
Nuclear repulsion energy	249.635705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3085	0.96
2	A₁	3220	3049	20.29
3	A₁	3074	2911	6.12
4	A₁	1718	1627	229.16
5	A₁	1558	1475	5.98
6	A₁	1524	1443	14.60
7	A₁	1454	1377	8.79
8	A₁	1255	1188	2.74
9	A₁	1198	1134	0.42
10	A₁	905	857	42.78
11	A₁	511	484	0.51
12	A₁	282	267	4.77
13	A₂	3156	2989	0.00
14	A₂	1534	1453	0.00
15	A₂	1205	1142	0.00
16	A₂	676	640	0.00
17	A₂	270	255	0.00
18	A₂	131	124	0.00
19	B₁	3157	2990	67.00
20	B₁	1534	1453	19.19
21	B₁	1209	1145	1.71
22	B₁	683	646	0.12
23	B₁	666	630	104.65
24	B₁	286	271	0.02
25	B₁	98	93	9.68
26	B₂	3351	3173	2.56
27	B₂	3220	3049	12.97
28	B₂	3074	2911	58.10
29	B₂	1554	1472	16.35
30	B₂	1528	1447	49.79
31	B₂	1381	1308	497.76
32	B₂	1244	1178	14.04
33	B₂	1092	1034	93.27
34	B₂	966	914	0.69
35	B₂	567	537	0.23
36	B₂	400	378	7.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.414
C2	0.000	0.000	0.065
H3	0.000	0.921	1.975
H4	0.000	-0.921	1.975
O5	0.000	1.077	-0.744
O6	0.000	-1.077	-0.744
C7	0.000	2.339	-0.099
C8	0.000	-2.339	-0.099
H9	0.000	3.075	-0.900
H10	0.000	-3.075	-0.900
H11	-0.893	2.464	0.519
H12	0.893	2.464	0.519
H13	0.893	-2.464	0.519
H14	-0.893	-2.464	0.519

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3489	1.0779	1.0779	2.4118	2.4118	2.7862	2.7862	3.8484	3.8484	2.7696	2.7696	2.7696	2.7696
C2	1.3489		2.1199	2.1199	1.3470	1.3470	2.3451	2.3451	3.2231	3.2231	2.6600	2.6600	2.6600	2.6600
H3	1.0779	2.1199		1.8411	2.7233	3.3737	2.5129	3.8638	3.5922	4.9222	2.3021	2.3021	3.7912	3.7912
H4	1.0779	2.1199	1.8411		3.3737	2.7233	3.8638	2.5129	4.9222	3.5922	3.7912	3.7912	2.3021	2.3021
O5	2.4118	1.3470	2.7233	3.3737		2.1538	1.4176	3.4766	2.0045	4.1552	2.0778	2.0778	3.8642	3.8642
O6	2.4118	1.3470	3.3737	2.7233	2.1538		3.4766	1.4176	4.1552	2.0045	3.8642	3.8642	2.0778	2.0778
C7	2.7862	2.3451	2.5129	3.8638	1.4176	3.4766		4.6787	1.0871	5.4735	1.0934	1.0934	4.9248	4.9248
C8	2.7862	2.3451	3.8638	2.5129	3.4766	1.4176	4.6787		5.4735	1.0871	4.9248	4.9248	1.0934	1.0934
H9	3.8484	3.2231	3.5922	4.9222	2.0045	4.1552	1.0871	5.4735		6.1508	1.7841	1.7841	5.7875	5.7875
H10	3.8484	3.2231	4.9222	3.5922	4.1552	2.0045	5.4735	1.0871	6.1508		5.7875	5.7875	1.7841	1.7841
H11	2.7696	2.6600	2.3021	3.7912	2.0778	3.8642	1.0934	4.9248	1.7841	5.7875		1.7863	5.2420	4.9283
H12	2.7696	2.6600	2.3021	3.7912	2.0778	3.8642	1.0934	4.9248	1.7841	5.7875	1.7863		4.9283	5.2420
H13	2.7696	2.6600	3.7912	2.3021	3.8642	2.0778	4.9248	1.0934	5.7875	1.7841	5.2420	4.9283		1.7863
H14	2.7696	2.6600	3.7912	2.3021	3.8642	2.0778	4.9248	1.0934	5.7875	1.7841	4.9283	5.2420	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.920	C1	C2	O6	126.920
C2	C1	H3	121.349	C2	C1	H4	121.349
C2	O5	C7	116.028	C2	O6	C8	116.028
H3	C1	H4	117.302	O5	C2	O6	106.161
O5	C7	H9	105.558	O5	C7	H11	111.026
O5	C7	H12	111.026	O6	C8	H10	105.558
O6	C8	H13	111.026	O6	C8	H14	111.026
H9	C7	H11	109.809	H9	C7	H12	109.809
H10	C8	H13	109.809	H10	C8	H14	109.809
H11	C7	H12	109.544	H13	C8	H14	109.544

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

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

States and conformations

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