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	hartrees
Energy at 0K	-307.542748
Energy at 298.15K	-307.552220
HF Energy	-307.542748
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3088	0.59
2	A₁	3196	3032	23.78
3	A₁	3052	2895	6.52
4	A₁	1746	1656	256.26
5	A₁	1549	1469	0.84
6	A₁	1518	1440	15.19
7	A₁	1459	1384	11.15
8	A₁	1263	1198	3.51
9	A₁	1221	1158	0.86
10	A₁	920	873	40.98
11	A₁	516	489	0.25
12	A₁	286	271	4.89
13	A₂	3120	2959	0.00
14	A₂	1532	1453	0.00
15	A₂	1197	1135	0.00
16	A₂	686	651	0.00
17	A₂	255	242	0.00
18	A₂	127	120	0.00
19	B₁	3121	2960	77.23
20	B₁	1532	1453	14.94
21	B₁	1201	1139	1.85
22	B₁	745	707	104.05
23	B₁	692	656	0.32
24	B₁	283	269	0.02
25	B₁	90	85	9.76
26	B₂	3338	3166	4.87
27	B₂	3196	3031	18.59
28	B₂	3052	2895	64.06
29	B₂	1539	1460	44.67
30	B₂	1530	1451	37.50
31	B₂	1405	1333	499.80
32	B₂	1244	1180	12.12
33	B₂	1113	1056	96.67
34	B₂	974	924	0.43
35	B₂	574	544	0.12
36	B₂	408	387	8.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.355
C2	0.000	0.000	-0.018
H3	0.000	0.896	1.874
H4	0.000	-0.896	1.874
O5	0.000	1.227	-0.789
O6	0.000	-1.227	-0.789
C7	0.000	2.498	-0.034
C8	0.000	-2.498	-0.034
H9	0.000	3.371	-0.609
H10	0.000	-3.371	-0.609
H11	-0.809	2.678	0.618
H12	0.809	2.678	0.618
H13	0.809	-2.678	0.618
H14	-0.809	-2.678	0.618

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3724	1.0358	1.0358	2.4700	2.4700	2.8580	2.8580	3.9017	3.9017	2.8928	2.8928	2.8928	2.8928
C2	1.3724		2.0933	2.0933	1.4495	1.4495	2.4979	2.4979	3.4228	3.4228	2.8685	2.8685	2.8685	2.8685
H3	1.0358	2.0933		1.7924	2.6833	3.4059	2.4912	3.8937	3.5061	4.9375	2.3254	2.3254	3.8739	3.8739
H4	1.0358	2.0933	1.7924		3.4059	2.6833	3.8937	2.4912	4.9375	3.5061	3.8739	3.8739	2.3254	2.3254
O5	2.4700	1.4495	2.6833	3.4059		2.4549	1.4777	3.8010	2.1513	4.6022	2.1761	2.1761	4.2287	4.2287
O6	2.4700	1.4495	3.4059	2.6833	2.4549		3.8010	1.4777	4.6022	2.1513	4.2287	4.2287	2.1761	2.1761
C7	2.8580	2.4979	2.4912	3.8937	1.4777	3.8010		4.9958	1.0458	5.8973	1.0542	1.0542	5.2788	5.2788
C8	2.8580	2.4979	3.8937	2.4912	3.8010	1.4777	4.9958		5.8973	1.0458	5.2788	5.2788	1.0542	1.0542
H9	3.9017	3.4228	3.5061	4.9375	2.1513	4.6022	1.0458	5.8973		6.7426	1.6250	1.6250	6.2250	6.2250
H10	3.9017	3.4228	4.9375	3.5061	4.6022	2.1513	5.8973	1.0458	6.7426		6.2250	6.2250	1.6250	1.6250
H11	2.8928	2.8685	2.3254	3.8739	2.1761	4.2287	1.0542	5.2788	1.6250	6.2250		1.6182	5.5946	5.3555
H12	2.8928	2.8685	2.3254	3.8739	2.1761	4.2287	1.0542	5.2788	1.6250	6.2250	1.6182		5.3555	5.5946
H13	2.8928	2.8685	3.8739	2.3254	4.2287	2.1761	5.2788	1.0542	6.2250	1.6250	5.5946	5.3555		1.6182
H14	2.8928	2.8685	3.8739	2.3254	4.2287	2.1761	5.2788	1.0542	6.2250	1.6250	5.3555	5.5946	1.6182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	122.136	C1	C2	O6	122.136
C2	C1	H3	120.091	C2	C1	H4	120.091
C2	O5	C7	117.152	C2	O6	C8	117.152
H3	C1	H4	119.817	O5	C2	O6	115.728
O5	C7	H9	115.916	O5	C7	H11	117.534
O5	C7	H12	117.534	O6	C8	H10	115.916
O6	C8	H13	117.534	O6	C8	H14	117.534
H9	C7	H11	101.386	H9	C7	H12	101.386
H10	C8	H13	101.386	H10	C8	H14	101.386
H11	C7	H12	100.260	H13	C8	H14	100.260

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

using model chemistry: wB97X-D/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	-0.566
2	C	0.647
3	H	0.163
4	H	0.163
5	O	-0.473
6	O	-0.473
7	C	-0.265
8	C	-0.265
9	H	0.193
10	H	0.193
11	H	0.171
12	H	0.171
13	H	0.171
14	H	0.171

<r²>	185.479
(<r²>)^1/2	13.619

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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