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	hartrees
Energy at 0K	-305.887133
Energy at 298.15K	-305.896899
Nuclear repulsion energy	251.426460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3354	3047	1.04
2	A₁	3292	2990	41.56
3	A₁	3176	2885	8.42
4	A₁	1817	1650	390.47
5	A₁	1636	1486	6.01
6	A₁	1618	1470	11.82
7	A₁	1545	1404	35.35
8	A₁	1343	1221	6.44
9	A₁	1300	1181	0.03
10	A₁	970	881	54.30
11	A₁	536	487	0.68
12	A₁	284	258	5.72
13	A₂	3239	2942	0.00
14	A₂	1619	1471	0.00
15	A₂	1286	1168	0.00
16	A₂	744	676	0.00
17	A₂	259	235	0.00
18	A₂	145	131	0.00
19	B₁	3239	2943	97.44
20	B₁	1619	1471	14.59
21	B₁	1288	1170	6.24
22	B₁	851	773	121.84
23	B₁	761	691	0.03
24	B₁	274	249	0.46
25	B₁	101	91	12.03
26	B₂	3436	3122	8.59
27	B₂	3291	2990	26.89
28	B₂	3175	2884	64.76
29	B₂	1631	1482	10.63
30	B₂	1626	1477	59.40
31	B₂	1485	1349	637.87
32	B₂	1332	1211	8.13
33	B₂	1169	1062	142.27
34	B₂	1027	933	0.02
35	B₂	607	551	0.00
36	B₂	403	366	7.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.415
C2	0.000	0.000	0.085
H3	0.000	0.914	1.969
H4	0.000	-0.914	1.969
O5	0.000	1.066	-0.706
O6	0.000	-1.066	-0.706
C7	0.000	2.345	-0.134
C8	0.000	-2.345	-0.134
H9	0.000	3.041	-0.959
H10	0.000	-3.041	-0.959
H11	-0.886	2.502	0.472
H12	0.886	2.502	0.472
H13	0.886	-2.502	0.472
H14	-0.886	-2.502	0.472

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3295	1.0693	1.0693	2.3736	2.3736	2.8104	2.8104	3.8580	3.8580	2.8169	2.8169	2.8169	2.8169
C2	1.3295		2.0940	2.0940	1.3277	1.3277	2.3555	2.3555	3.2156	3.2156	2.6827	2.6827	2.6827	2.6827
H3	1.0693	2.0940		1.8290	2.6791	3.3284	2.5434	3.8792	3.6189	4.9215	2.3551	2.3551	3.8341	3.8341
H4	1.0693	2.0940	1.8290		3.3284	2.6791	3.8792	2.5434	4.9215	3.6189	3.8341	3.8341	2.3551	2.3551
O5	2.3736	1.3277	2.6791	3.3284		2.1328	1.4009	3.4593	1.9911	4.1155	2.0579	2.0579	3.8612	3.8612
O6	2.3736	1.3277	3.3284	2.6791	2.1328		3.4593	1.4009	4.1155	1.9911	3.8612	3.8612	2.0579	2.0579
C7	2.8104	2.3555	2.5434	3.8792	1.4009	3.4593		4.6906	1.0796	5.4494	1.0849	1.0849	4.9651	4.9651
C8	2.8104	2.3555	3.8792	2.5434	3.4593	1.4009	4.6906		5.4494	1.0796	4.9651	4.9651	1.0849	1.0849
H9	3.8580	3.2156	3.6189	4.9215	1.9911	4.1155	1.0796	5.4494		6.0826	1.7675	1.7675	5.7936	5.7936
H10	3.8580	3.2156	4.9215	3.6189	4.1155	1.9911	5.4494	1.0796	6.0826		5.7936	5.7936	1.7675	1.7675
H11	2.8169	2.6827	2.3551	3.8341	2.0579	3.8612	1.0849	4.9651	1.7675	5.7936		1.7721	5.3092	5.0047
H12	2.8169	2.6827	2.3551	3.8341	2.0579	3.8612	1.0849	4.9651	1.7675	5.7936	1.7721		5.0047	5.3092
H13	2.8169	2.6827	3.8341	2.3551	3.8612	2.0579	4.9651	1.0849	5.7936	1.7675	5.3092	5.0047		1.7721
H14	2.8169	2.6827	3.8341	2.3551	3.8612	2.0579	4.9651	1.0849	5.7936	1.7675	5.0047	5.3092	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.565	C1	C2	O6	126.565
C2	C1	H3	121.218	C2	C1	H4	121.218
C2	O5	C7	119.339	C2	O6	C8	119.339
H3	C1	H4	117.563	O5	C2	O6	106.870
O5	C7	H9	106.050	O5	C7	H11	111.115
O5	C7	H12	111.115	O6	C8	H10	106.050
O6	C8	H13	111.115	O6	C8	H14	111.115
H9	C7	H11	109.492	H9	C7	H12	109.492
H10	C8	H13	109.492	H10	C8	H14	109.492
H11	C7	H12	109.508	H13	C8	H14	109.508

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.450
2	C	0.531
3	H	0.110
4	H	0.110
5	O	-0.421
6	O	-0.421
7	C	-0.027
8	C	-0.027
9	H	0.111
10	H	0.111
11	H	0.093
12	H	0.093
13	H	0.093
14	H	0.093

<r²>	184.956
(<r²>)^1/2	13.600

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

using model chemistry: HF/6-311G**

States and conformations

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