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	hartrees
Energy at 0K	-307.534331
Energy at 298.15K	-307.543717
Nuclear repulsion energy	249.410356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3101	0.59
2	A₁	3168	3036	22.23
3	A₁	3030	2904	6.07
4	A₁	1727	1655	240.31
5	A₁	1522	1459	3.58
6	A₁	1492	1430	12.03
7	A₁	1428	1369	8.61
8	A₁	1239	1187	3.17
9	A₁	1197	1147	0.77
10	A₁	906	868	39.36
11	A₁	509	488	0.28
12	A₁	270	259	4.57
13	A₂	3099	2970	0.00
14	A₂	1497	1435	0.00
15	A₂	1181	1131	0.00
16	A₂	678	649	0.00
17	A₂	245	235	0.00
18	A₂	132	126	0.00
19	B₁	3100	2971	74.08
20	B₁	1496	1434	14.65
21	B₁	1185	1136	1.23
22	B₁	721	691	93.15
23	B₁	680	652	0.38
24	B₁	267	256	0.01
25	B₁	101	97	9.37
26	B₂	3322	3184	4.35
27	B₂	3168	3036	15.26
28	B₂	3029	2903	70.58
29	B₂	1516	1453	10.90
30	B₂	1501	1438	81.17
31	B₂	1371	1314	474.10
32	B₂	1220	1169	13.89
33	B₂	1090	1045	91.65
34	B₂	955	915	0.77
35	B₂	562	539	0.22
36	B₂	383	367	8.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.418
C2	0.000	0.000	0.074
H3	0.000	0.923	1.979
H4	0.000	-0.923	1.979
O5	0.000	1.078	-0.735
O6	0.000	-1.078	-0.735
C7	0.000	2.346	-0.112
C8	0.000	-2.346	-0.112
H9	0.000	3.079	-0.920
H10	0.000	-3.079	-0.920
H11	-0.893	2.485	0.509
H12	0.893	2.485	0.509
H13	0.893	-2.485	0.509
H14	-0.893	-2.485	0.509

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3436	1.0800	1.0800	2.4080	2.4080	2.8007	2.8007	3.8659	3.8659	2.7929	2.7929	2.7929	2.7929
C2	1.3436		2.1163	2.1163	1.3482	1.3482	2.3531	2.3531	3.2356	3.2356	2.6764	2.6764	2.6764	2.6764
H3	1.0800	2.1163		1.8460	2.7184	3.3719	2.5292	3.8804	3.6125	4.9415	2.3235	2.3235	3.8176	3.8176
H4	1.0800	2.1163	1.8460		3.3719	2.7184	3.8804	2.5292	4.9415	3.6125	3.8176	3.8176	2.3235	2.3235
O5	2.4080	1.3482	2.7184	3.3719		2.1561	1.4125	3.4800	2.0096	4.1613	2.0800	2.0800	3.8785	3.8785
O6	2.4080	1.3482	3.3719	2.7184	2.1561		3.4800	1.4125	4.1613	2.0096	3.8785	3.8785	2.0800	2.0800
C7	2.8007	2.3531	2.5292	3.8804	1.4125	3.4800		4.6915	1.0907	5.4846	1.0972	1.0972	4.9520	4.9520
C8	2.8007	2.3531	3.8804	2.5292	3.4800	1.4125	4.6915		5.4846	1.0907	4.9520	4.9520	1.0972	1.0972
H9	3.8659	3.2356	3.6125	4.9415	2.0096	4.1613	1.0907	5.4846		6.1583	1.7867	1.7867	5.8139	5.8139
H10	3.8659	3.2356	4.9415	3.6125	4.1613	2.0096	5.4846	1.0907	6.1583		5.8139	5.8139	1.7867	1.7867
H11	2.7929	2.6764	2.3235	3.8176	2.0800	3.8785	1.0972	4.9520	1.7867	5.8139		1.7869	5.2818	4.9703
H12	2.7929	2.6764	2.3235	3.8176	2.0800	3.8785	1.0972	4.9520	1.7867	5.8139	1.7869		4.9703	5.2818
H13	2.7929	2.6764	3.8176	2.3235	3.8785	2.0800	4.9520	1.0972	5.8139	1.7867	5.2818	4.9703		1.7869
H14	2.7929	2.6764	3.8176	2.3235	3.8785	2.0800	4.9520	1.0972	5.8139	1.7867	4.9703	5.2818	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.905	C1	C2	O6	126.905
C2	C1	H3	121.284	C2	C1	H4	121.284
C2	O5	C7	116.927	C2	O6	C8	116.927
H3	C1	H4	117.432	O5	C2	O6	106.190
O5	C7	H9	106.085	O5	C7	H11	111.334
O5	C7	H12	111.334	O6	C8	H10	106.085
O6	C8	H13	111.334	O6	C8	H14	111.334
H9	C7	H11	109.494	H9	C7	H12	109.494
H10	C8	H13	109.494	H10	C8	H14	109.494
H11	C7	H12	109.045	H13	C8	H14	109.045

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

using model chemistry: B3PW91/6-31G**

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	-0.450
2	C	0.618
3	H	0.119
4	H	0.119
5	O	-0.477
6	O	-0.477
7	C	-0.151
8	C	-0.151
9	H	0.151
10	H	0.151
11	H	0.137
12	H	0.137
13	H	0.137
14	H	0.137

<r²>	185.977
(<r²>)^1/2	13.637

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

using model chemistry: B3PW91/6-31G**

States and conformations

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