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	hartrees
Energy at 0K	-307.569978
Energy at 298.15K	-307.579418
Nuclear repulsion energy	249.993664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3096	0.81
2	A₁	3189	3034	21.03
3	A₁	3049	2901	5.84
4	A₁	1742	1657	248.28
5	A₁	1531	1456	3.69
6	A₁	1500	1427	12.25
7	A₁	1436	1367	8.44
8	A₁	1250	1189	2.89
9	A₁	1210	1152	1.22
10	A₁	916	871	40.26
11	A₁	513	488	0.27
12	A₁	272	259	4.61
13	A₂	3120	2968	0.00
14	A₂	1506	1433	0.00
15	A₂	1189	1131	0.00
16	A₂	684	651	0.00
17	A₂	249	237	0.00
18	A₂	135	129	0.00
19	B₁	3120	2969	70.61
20	B₁	1505	1432	15.29
21	B₁	1193	1135	1.35
22	B₁	732	697	95.84
23	B₁	687	654	0.29
24	B₁	271	258	0.01
25	B₁	102	97	9.48
26	B₂	3342	3180	3.91
27	B₂	3188	3034	14.91
28	B₂	3048	2900	67.29
29	B₂	1525	1451	9.28
30	B₂	1511	1438	97.24
31	B₂	1388	1320	469.67
32	B₂	1228	1169	12.47
33	B₂	1104	1050	88.87
34	B₂	964	917	0.81
35	B₂	566	539	0.19
36	B₂	387	368	8.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.414
C2	0.000	0.000	0.072
H3	0.000	0.922	1.973
H4	0.000	-0.922	1.973
O5	0.000	1.076	-0.734
O6	0.000	-1.076	-0.734
C7	0.000	2.340	-0.111
C8	0.000	-2.340	-0.111
H9	0.000	3.074	-0.915
H10	0.000	-3.074	-0.915
H11	-0.892	2.477	0.510
H12	0.892	2.477	0.510
H13	0.892	-2.477	0.510
H14	-0.892	-2.477	0.510

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3414	1.0786	1.0786	2.4023	2.4023	2.7922	2.7922	3.8562	3.8562	2.7833	2.7833	2.7833	2.7833
C2	1.3414		2.1128	2.1128	1.3447	1.3447	2.3467	2.3467	3.2285	3.2285	2.6688	2.6688	2.6688	2.6688
H3	1.0786	2.1128		1.8442	2.7117	3.3648	2.5201	3.8704	3.6014	4.9303	2.3137	2.3137	3.8064	3.8064
H4	1.0786	2.1128	1.8442		3.3648	2.7117	3.8704	2.5201	4.9303	3.6014	3.8064	3.8064	2.3137	2.3137
O5	2.4023	1.3447	2.7117	3.3648		2.1521	1.4090	3.4721	2.0061	4.1540	2.0753	2.0753	3.8688	3.8688
O6	2.4023	1.3447	3.3648	2.7117	2.1521		3.4721	1.4090	4.1540	2.0061	3.8688	3.8688	2.0753	2.0753
C7	2.7922	2.3467	2.5201	3.8704	1.4090	3.4721		4.6791	1.0891	5.4729	1.0955	1.0955	4.9375	4.9375
C8	2.7922	2.3467	3.8704	2.5201	3.4721	1.4090	4.6791		5.4729	1.0891	4.9375	4.9375	1.0955	1.0955
H9	3.8562	3.2285	3.6014	4.9303	2.0061	4.1540	1.0891	5.4729		6.1480	1.7841	1.7841	5.7998	5.7998
H10	3.8562	3.2285	4.9303	3.6014	4.1540	2.0061	5.4729	1.0891	6.1480		5.7998	5.7998	1.7841	1.7841
H11	2.7833	2.6688	2.3137	3.8064	2.0753	3.8688	1.0955	4.9375	1.7841	5.7998		1.7843	5.2653	4.9537
H12	2.7833	2.6688	2.3137	3.8064	2.0753	3.8688	1.0955	4.9375	1.7841	5.7998	1.7843		4.9537	5.2653
H13	2.7833	2.6688	3.8064	2.3137	3.8688	2.0753	4.9375	1.0955	5.7998	1.7841	5.2653	4.9537		1.7843
H14	2.7833	2.6688	3.8064	2.3137	3.8688	2.0753	4.9375	1.0955	5.7998	1.7841	4.9537	5.2653	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.848	C1	C2	O6	126.848
C2	C1	H3	121.249	C2	C1	H4	121.249
C2	O5	C7	116.881	C2	O6	C8	116.881
H3	C1	H4	117.502	O5	C2	O6	106.304
O5	C7	H9	106.134	O5	C7	H11	111.296
O5	C7	H12	111.296	O6	C8	H10	106.134
O6	C8	H13	111.296	O6	C8	H14	111.296
H9	C7	H11	109.504	H9	C7	H12	109.504
H10	C8	H13	109.504	H10	C8	H14	109.504
H11	C7	H12	109.053	H13	C8	H14	109.053

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

using model chemistry: mPW1PW91/6-31G**

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	-0.460
2	C	0.628
3	H	0.123
4	H	0.123
5	O	-0.484
6	O	-0.484
7	C	-0.155
8	C	-0.155
9	H	0.153
10	H	0.153
11	H	0.139
12	H	0.139
13	H	0.139
14	H	0.139

<r²>	185.152
(<r²>)^1/2	13.607

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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