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	hartrees
Energy at 0K	-306.045282
Energy at 298.15K	-306.054647
Nuclear repulsion energy	251.000866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3104	2.48
2	A₁	3099	3041	10.38
3	A₁	2942	2887	5.62
4	A₁	1713	1681	210.52
5	A₁	1457	1430	4.49
6	A₁	1423	1396	18.14
7	A₁	1357	1331	0.56
8	A₁	1230	1207	0.04
9	A₁	1168	1147	4.24
10	A₁	907	890	34.82
11	A₁	513	503	0.08
12	A₁	276	271	4.20
13	A₂	3006	2950	0.00
14	A₂	1422	1396	0.00
15	A₂	1141	1119	0.00
16	A₂	661	649	0.00
17	A₂	238	234	0.00
18	A₂	152	149	0.00
19	B₁	3007	2951	54.09
20	B₁	1421	1395	22.91
21	B₁	1146	1124	0.22
22	B₁	692	679	62.70
23	B₁	653	641	25.42
24	B₁	268	263	0.15
25	B₁	110	108	7.57
26	B₂	3253	3192	0.90
27	B₂	3099	3041	9.42
28	B₂	2941	2886	65.89
29	B₂	1465	1437	148.80
30	B₂	1448	1421	144.38
31	B₂	1359	1333	246.06
32	B₂	1171	1149	13.14
33	B₂	1100	1080	57.54
34	B₂	930	913	0.71
35	B₂	548	538	0.44
36	B₂	395	387	9.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.396
C2	0.000	0.000	0.052
H3	0.000	0.932	1.958
H4	0.000	-0.932	1.958
O5	0.000	1.076	-0.746
O6	0.000	-1.076	-0.746
C7	0.000	2.313	-0.092
C8	0.000	-2.313	-0.092
H9	0.000	3.085	-0.875
H10	0.000	-3.085	-0.875
H11	-0.898	2.431	0.546
H12	0.898	2.431	0.546
H13	0.898	-2.431	0.546
H14	-0.898	-2.431	0.546

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3445	1.0888	1.0888	2.3970	2.3970	2.7504	2.7504	3.8306	3.8306	2.7276	2.7276	2.7276	2.7276
C2	1.3445		2.1224	2.1224	1.3394	1.3394	2.3176	2.3176	3.2210	3.2210	2.6384	2.6384	2.6384	2.6384
H3	1.0888	2.1224		1.8648	2.7078	3.3684	2.4718	3.8389	3.5580	4.9158	2.2467	2.2467	3.7569	3.7569
H4	1.0888	2.1224	1.8648		3.3684	2.7078	3.8389	2.4718	4.9158	3.5580	3.7569	3.7569	2.2467	2.2467
O5	2.3970	1.3394	2.7078	3.3684		2.1523	1.3992	3.4518	2.0129	4.1631	2.0763	2.0763	3.8439	3.8439
O6	2.3970	1.3394	3.3684	2.7078	2.1523		3.4518	1.3992	4.1631	2.0129	3.8439	3.8439	2.0763	2.0763
C7	2.7504	2.3176	2.4718	3.8389	1.3992	3.4518		4.6264	1.0993	5.4546	1.1080	1.1080	4.8704	4.8704
C8	2.7504	2.3176	3.8389	2.4718	3.4518	1.3992	4.6264		5.4546	1.0993	4.8704	4.8704	1.1080	1.1080
H9	3.8306	3.2210	3.5580	4.9158	2.0129	4.1631	1.0993	5.4546		6.1698	1.8035	1.8035	5.7663	5.7663
H10	3.8306	3.2210	4.9158	3.5580	4.1631	2.0129	5.4546	1.0993	6.1698		5.7663	5.7663	1.8035	1.8035
H11	2.7276	2.6384	2.2467	3.7569	2.0763	3.8439	1.1080	4.8704	1.8035	5.7663		1.7966	5.1834	4.8621
H12	2.7276	2.6384	2.2467	3.7569	2.0763	3.8439	1.1080	4.8704	1.8035	5.7663	1.7966		4.8621	5.1834
H13	2.7276	2.6384	3.7569	2.2467	3.8439	2.0763	4.8704	1.1080	5.7663	1.8035	5.1834	4.8621		1.7966
H14	2.7276	2.6384	3.7569	2.2467	3.8439	2.0763	4.8704	1.1080	5.7663	1.8035	4.8621	5.1834	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.535	C1	C2	O6	126.535
C2	C1	H3	121.088	C2	C1	H4	121.088
C2	O5	C7	115.605	C2	O6	C8	115.605
H3	C1	H4	117.824	O5	C2	O6	106.929
O5	C7	H9	106.729	O5	C7	H11	111.286
O5	C7	H12	111.286	O6	C8	H10	106.729
O6	C8	H13	111.286	O6	C8	H14	111.286
H9	C7	H11	109.588	H9	C7	H12	109.588
H10	C8	H13	109.588	H10	C8	H14	109.588
H11	C7	H12	108.345	H13	C8	H14	108.345

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.428
2	C	0.515
3	H	0.113
4	H	0.113
5	O	-0.387
6	O	-0.387
7	C	-0.229
8	C	-0.229
9	H	0.161
10	H	0.161
11	H	0.149
12	H	0.149
13	H	0.149
14	H	0.149

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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