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	hartrees
Energy at 0K	-306.291984
Energy at 298.15K	-306.300897
HF Energy	-305.706910
Nuclear repulsion energy	241.058234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3091	0.27
2	A₁	3201	3083	26.37
3	A₁	3029	2917	10.57
4	A₁	1642	1581	179.65
5	A₁	1543	1486	7.79
6	A₁	1506	1451	3.12
7	A₁	1448	1394	24.53
8	A₁	1199	1155	1.00
9	A₁	1072	1032	1.00
10	A₁	807	777	42.35
11	A₁	462	445	0.55
12	A₁	248	239	7.06
13	A₂	3133	3017	0.00
14	A₂	1528	1472	0.00
15	A₂	1151	1108	0.00
16	A₂	639	616	0.00
17	A₂	224	216	0.00
18	A₂	98	94	0.00
19	B₁	3133	3018	94.36
20	B₁	1528	1472	18.18
21	B₁	1156	1113	0.59
22	B₁	654	630	101.88
23	B₁	605	583	34.86
24	B₁	231	222	0.04
25	B₁	85	82	18.32
26	B₂	3312	3190	10.74
27	B₂	3201	3083	16.31
28	B₂	3029	2917	68.39
29	B₂	1540	1483	16.41
30	B₂	1492	1437	9.95
31	B₂	1298	1250	410.23
32	B₂	1191	1147	55.30
33	B₂	1013	976	128.71
34	B₂	877	845	1.34
35	B₂	536	516	0.45
36	B₂	353	340	9.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.457
C2	0.000	0.000	0.083
H3	0.000	0.929	2.023
H4	0.000	-0.929	2.023
O5	0.000	1.119	-0.760
O6	0.000	-1.119	-0.760
C7	0.000	2.453	-0.107
C8	0.000	-2.453	-0.107
H9	0.000	3.158	-0.947
H10	0.000	-3.158	-0.947
H11	-0.906	2.580	0.511
H12	0.906	2.580	0.511
H13	0.906	-2.580	0.511
H14	-0.906	-2.580	0.511

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3737	1.0884	1.0884	2.4832	2.4832	2.9094	2.9094	3.9689	3.9689	2.8937	2.8937	2.8937	2.8937
C2	1.3737		2.1512	2.1512	1.4012	1.4012	2.4607	2.4607	3.3217	3.3217	2.7678	2.7678	2.7678	2.7678
H3	1.0884	2.1512		1.8590	2.7895	3.4558	2.6191	3.9976	3.7135	5.0528	2.4152	2.4152	3.9277	3.9277
H4	1.0884	2.1512	1.8590		3.4558	2.7895	3.9976	2.6191	5.0528	3.7135	3.9277	3.9277	2.4152	2.4152
O5	2.4832	1.4012	2.7895	3.4558		2.2386	1.4852	3.6318	2.0471	4.2811	2.1374	2.1374	4.0150	4.0150
O6	2.4832	1.4012	3.4558	2.7895	2.2386		3.6318	1.4852	4.2811	2.0471	4.0150	4.0150	2.1374	2.1374
C7	2.9094	2.4607	2.6191	3.9976	1.4852	3.6318		4.9066	1.0967	5.6736	1.1036	1.1036	5.1515	5.1515
C8	2.9094	2.4607	3.9976	2.6191	3.6318	1.4852	4.9066		5.6736	1.0967	5.1515	5.1515	1.1036	1.1036
H9	3.9689	3.3217	3.7135	5.0528	2.0471	4.2811	1.0967	5.6736		6.3154	1.8111	1.8111	5.9892	5.9892
H10	3.9689	3.3217	5.0528	3.7135	4.2811	2.0471	5.6736	1.0967	6.3154		5.9892	5.9892	1.8111	1.8111
H11	2.8937	2.7678	2.4152	3.9277	2.1374	4.0150	1.1036	5.1515	1.8111	5.9892		1.8116	5.4692	5.1604
H12	2.8937	2.7678	2.4152	3.9277	2.1374	4.0150	1.1036	5.1515	1.8111	5.9892	1.8116		5.1604	5.4692
H13	2.8937	2.7678	3.9277	2.4152	4.0150	2.1374	5.1515	1.1036	5.9892	1.8111	5.4692	5.1604		1.8116
H14	2.8937	2.7678	3.9277	2.4152	4.0150	2.1374	5.1515	1.1036	5.9892	1.8111	5.1604	5.4692	1.8116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.985	C1	C2	O6	126.985
C2	C1	H3	121.352	C2	C1	H4	121.352
C2	O5	C7	116.940	C2	O6	C8	116.940
H3	C1	H4	117.296	O5	C2	O6	106.029
O5	C7	H9	103.889	O5	C7	H11	110.441
O5	C7	H12	110.441	O6	C8	H10	103.889
O6	C8	H13	110.441	O6	C8	H14	110.441
H9	C7	H11	110.796	H9	C7	H12	110.796
H10	C8	H13	110.796	H10	C8	H14	110.796
H11	C7	H12	110.321	H13	C8	H14	110.321

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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