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	hartrees
Energy at 0K	-305.932159
Energy at 298.15K	-305.941446
Nuclear repulsion energy	247.538594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3106	1.79
2	A₁	3133	3069	8.81
3	A₁	2958	2898	5.98
4	A₁	1700	1665	173.93
5	A₁	1488	1457	7.29
6	A₁	1450	1421	22.31
7	A₁	1392	1364	0.83
8	A₁	1197	1172	0.99
9	A₁	1139	1116	0.02
10	A₁	867	849	34.26
11	A₁	500	490	0.04
12	A₁	263	258	5.53
13	A₂	3030	2969	0.00
14	A₂	1458	1429	0.00
15	A₂	1138	1115	0.00
16	A₂	659	646	0.00
17	A₂	229	224	0.00
18	A₂	143	140	0.00
19	B₁	3031	2970	62.19
20	B₁	1458	1428	33.30
21	B₁	1144	1121	0.00
22	B₁	771	756	120.46
23	B₁	656	643	0.01
24	B₁	256	251	0.00
25	B₁	105	103	12.06
26	B₂	3259	3193	3.03
27	B₂	3133	3069	7.10
28	B₂	2957	2897	57.48
29	B₂	1485	1454	0.91
30	B₂	1459	1430	177.72
31	B₂	1345	1318	314.31
32	B₂	1170	1146	25.80
33	B₂	1051	1029	67.72
34	B₂	926	907	0.01
35	B₂	549	538	1.30
36	B₂	377	369	11.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.403
C2	0.000	0.000	0.059
H3	0.000	0.930	1.971
H4	0.000	-0.930	1.971
O5	0.000	1.095	-0.751
O6	0.000	-1.095	-0.751
C7	0.000	2.364	-0.091
C8	0.000	-2.364	-0.091
H9	0.000	3.119	-0.888
H10	0.000	-3.119	-0.888
H11	-0.900	2.483	0.543
H12	0.900	2.483	0.543
H13	0.900	-2.483	0.543
H14	-0.900	-2.483	0.543

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3442	1.0894	1.0894	2.4166	2.4166	2.7968	2.7968	3.8701	3.8701	2.7775	2.7775	2.7775	2.7775
C2	1.3442		2.1263	2.1263	1.3622	1.3622	2.3687	2.3687	3.2594	3.2594	2.6848	2.6848	2.6848	2.6848
H3	1.0894	2.1263		1.8591	2.7273	3.3927	2.5125	3.8861	3.6014	4.9564	2.2942	2.2942	3.8072	3.8072
H4	1.0894	2.1263	1.8591		3.3927	2.7273	3.8861	2.5125	4.9564	3.6014	3.8072	3.8072	2.2942	2.2942
O5	2.4166	1.3622	2.7273	3.3927		2.1906	1.4297	3.5215	2.0281	4.2163	2.0996	2.0996	3.9098	3.9098
O6	2.4166	1.3622	3.3927	2.7273	2.1906		3.5215	1.4297	4.2163	2.0281	3.9098	3.9098	2.0996	2.0996
C7	2.7968	2.3687	2.5125	3.8861	1.4297	3.5215		4.7278	1.0976	5.5403	1.1073	1.1073	4.9702	4.9702
C8	2.7968	2.3687	3.8861	2.5125	3.5215	1.4297	4.7278		5.5403	1.0976	4.9702	4.9702	1.1073	1.1073
H9	3.8701	3.2594	3.6014	4.9564	2.0281	4.2163	1.0976	5.5403		6.2375	1.8061	1.8061	5.8511	5.8511
H10	3.8701	3.2594	4.9564	3.6014	4.2163	2.0281	5.5403	1.0976	6.2375		5.8511	5.8511	1.8061	1.8061
H11	2.7775	2.6848	2.2942	3.8072	2.0996	3.9098	1.1073	4.9702	1.8061	5.8511		1.7996	5.2817	4.9657
H12	2.7775	2.6848	2.2942	3.8072	2.0996	3.9098	1.1073	4.9702	1.8061	5.8511	1.7996		4.9657	5.2817
H13	2.7775	2.6848	3.8072	2.2942	3.9098	2.0996	4.9702	1.1073	5.8511	1.8061	5.2817	4.9657		1.7996
H14	2.7775	2.6848	3.8072	2.2942	3.9098	2.0996	4.9702	1.1073	5.8511	1.8061	4.9657	5.2817	1.7996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.478	C1	C2	O6	126.478
C2	C1	H3	121.435	C2	C1	H4	121.435
C2	O5	C7	116.057	C2	O6	C8	116.057
H3	C1	H4	117.129	O5	C2	O6	107.044
O5	C7	H9	105.985	O5	C7	H11	111.068
O5	C7	H12	111.068	O6	C8	H10	105.985
O6	C8	H13	111.068	O6	C8	H14	111.068
H9	C7	H11	109.997	H9	C7	H12	109.997
H10	C8	H13	109.997	H10	C8	H14	109.997
H11	C7	H12	108.707	H13	C8	H14	108.707

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	-0.414
2	C	0.463
3	H	0.143
4	H	0.143
5	O	-0.434
6	O	-0.434
7	C	-0.303
8	C	-0.303
9	H	0.204
10	H	0.204
11	H	0.183
12	H	0.183
13	H	0.183
14	H	0.183

<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-)