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	hartrees
Energy at 0K	-59.222903
Energy at 298.15K	-59.232018
Nuclear repulsion energy	135.559128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3108	0.01
2	A₁	3183	3082	46.11
3	A₁	3028	2932	14.43
4	A₁	1654	1602	222.91
5	A₁	1507	1459	5.01
6	A₁	1489	1442	18.36
7	A₁	1426	1381	15.18
8	A₁	1198	1160	0.96
9	A₁	1109	1074	1.72
10	A₁	829	803	38.27
11	A₁	469	455	0.51
12	A₁	250	242	7.07
13	A₂	3115	3017	0.00
14	A₂	1498	1450	0.00
15	A₂	1147	1111	0.00
16	A₂	655	635	0.00
17	A₂	239	231	0.00
18	A₂	119	116	0.00
19	B₁	3116	3018	136.18
20	B₁	1498	1450	21.78
21	B₁	1151	1115	0.00
22	B₁	773	749	155.09
23	B₁	620	600	5.50
24	B₁	254	246	0.37
25	B₁	93	90	16.73
26	B₂	3303	3198	18.42
27	B₂	3182	3082	23.98
28	B₂	3028	2932	91.59
29	B₂	1502	1454	16.00
30	B₂	1484	1437	22.66
31	B₂	1306	1265	446.47
32	B₂	1186	1149	34.39
33	B₂	1024	991	110.55
34	B₂	896	868	0.35
35	B₂	536	519	0.71
36	B₂	353	342	11.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.446
C2	0.000	0.000	0.066
H3	0.000	0.930	2.011
H4	0.000	-0.930	2.011
O5	0.000	1.116	-0.765
O6	0.000	-1.116	-0.765
C7	0.000	2.433	-0.123
C8	0.000	-2.433	-0.123
H9	0.000	3.155	-0.949
H10	0.000	-3.155	-0.949
H11	-0.904	2.566	0.499
H12	0.904	2.566	0.499
H13	0.904	-2.566	0.499
H14	-0.904	-2.566	0.499

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3795	1.0884	1.0884	2.4768	2.4768	2.8949	2.8949	3.9608	3.9608	2.8805	2.8805	2.8805	2.8805
C2	1.3795		2.1561	2.1561	1.3920	1.3920	2.4407	2.4407	3.3143	3.3143	2.7545	2.7545	2.7545	2.7545
H3	1.0884	2.1561		1.8593	2.7832	3.4493	2.6106	3.9830	3.7037	5.0447	2.4048	2.4048	3.9146	3.9146
H4	1.0884	2.1561	1.8593		3.4493	2.7832	3.9830	2.6106	5.0447	3.7037	3.9146	3.9146	2.4048	2.4048
O5	2.4768	1.3920	2.7832	3.4493		2.2328	1.4656	3.6076	2.0469	4.2754	2.1249	2.1249	3.9966	3.9966
O6	2.4768	1.3920	3.4493	2.7832	2.2328		3.6076	1.4656	4.2754	2.0469	3.9966	3.9966	2.1249	2.1249
C7	2.8949	2.4407	2.6106	3.9830	1.4656	3.6076		4.8669	1.0972	5.6493	1.1045	1.1045	5.1181	5.1181
C8	2.8949	2.4407	3.9830	2.6106	3.6076	1.4656	4.8669		5.6493	1.0972	5.1181	5.1181	1.1045	1.1045
H9	3.9608	3.3143	3.7037	5.0447	2.0469	4.2754	1.0972	5.6493		6.3101	1.8054	1.8054	5.9699	5.9699
H10	3.9608	3.3143	5.0447	3.7037	4.2754	2.0469	5.6493	1.0972	6.3101		5.9699	5.9699	1.8054	1.8054
H11	2.8805	2.7545	2.4048	3.9146	2.1249	3.9966	1.1045	5.1181	1.8054	5.9699		1.8076	5.4407	5.1316
H12	2.8805	2.7545	2.4048	3.9146	2.1249	3.9966	1.1045	5.1181	1.8054	5.9699	1.8076		5.1316	5.4407
H13	2.8805	2.7545	3.9146	2.4048	3.9966	2.1249	5.1181	1.1045	5.9699	1.8054	5.4407	5.1316		1.8076
H14	2.8805	2.7545	3.9146	2.4048	3.9966	2.1249	5.1181	1.1045	5.9699	1.8054	5.1316	5.4407	1.8076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.678	C1	C2	O6	126.678
C2	C1	H3	121.331	C2	C1	H4	121.331
C2	O5	C7	117.302	C2	O6	C8	117.302
H3	C1	H4	117.337	O5	C2	O6	106.644
O5	C7	H9	105.102	O5	C7	H11	110.753
O5	C7	H12	110.753	O6	C8	H10	105.102
O6	C8	H13	110.753	O6	C8	H14	110.753
H9	C7	H11	110.165	H9	C7	H12	110.165
H10	C8	H13	110.165	H10	C8	H14	110.165
H11	C7	H12	109.819	H13	C8	H14	109.819

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

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.471
2	C	-0.028
3	H	0.213
4	H	0.213
5	O	-0.141
6	O	-0.141
7	C	-0.395
8	C	-0.395
9	H	0.222
10	H	0.222
11	H	0.175
12	H	0.175
13	H	0.175
14	H	0.175

<r²>	161.349
(<r²>)^1/2	12.702

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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