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	hartrees
Energy at 0K	-305.815621
Energy at 298.15K	-305.825072
Nuclear repulsion energy	246.646645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3105	0.88
2	A₁	3188	3050	16.43
3	A₁	3044	2912	4.93
4	A₁	1710	1636	177.41
5	A₁	1575	1507	5.04
6	A₁	1525	1459	10.33
7	A₁	1464	1401	15.53
8	A₁	1215	1162	2.00
9	A₁	1137	1088	0.53
10	A₁	859	822	35.75
11	A₁	495	474	0.01
12	A₁	266	255	6.02
13	A₂	3104	2969	0.00
14	A₂	1551	1484	0.00
15	A₂	1168	1118	0.00
16	A₂	681	652	0.00
17	A₂	270	258	0.00
18	A₂	127	122	0.00
19	B₁	3105	2970	68.75
20	B₁	1551	1484	20.83
21	B₁	1173	1122	0.03
22	B₁	831	795	140.32
23	B₁	692	662	0.89
24	B₁	295	282	0.10
25	B₁	95	91	12.87
26	B₂	3326	3182	5.28
27	B₂	3188	3050	11.44
28	B₂	3043	2912	43.93
29	B₂	1569	1501	21.42
30	B₂	1517	1452	47.25
31	B₂	1356	1297	394.82
32	B₂	1199	1148	41.65
33	B₂	1058	1012	108.51
34	B₂	945	904	0.41
35	B₂	557	533	0.37
36	B₂	376	360	11.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.409
C2	0.000	0.000	0.073
H3	0.000	0.920	1.972
H4	0.000	-0.920	1.972
O5	0.000	1.093	-0.751
O6	0.000	-1.093	-0.751
C7	0.000	2.385	-0.094
C8	0.000	-2.385	-0.094
H9	0.000	3.117	-0.899
H10	0.000	-3.117	-0.899
H11	-0.892	2.510	0.529
H12	0.892	2.510	0.529
H13	0.892	-2.510	0.529
H14	-0.892	-2.510	0.529

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3369	1.0780	1.0780	2.4214	2.4214	2.8196	2.8196	3.8791	3.8791	2.8057	2.8057	2.8057	2.8057
C2	1.3369		2.1101	2.1101	1.3686	1.3686	2.3910	2.3910	3.2654	3.2654	2.7028	2.7028	2.7028	2.7028
H3	1.0780	2.1101		1.8396	2.7285	3.3860	2.5329	3.8976	3.6153	4.9538	2.3251	2.3251	3.8265	3.8265
H4	1.0780	2.1101	1.8396		3.3860	2.7285	3.8976	2.5329	4.9538	3.6153	3.8265	3.8265	2.3251	2.3251
O5	2.4214	1.3686	2.7285	3.3860		2.1856	1.4498	3.5395	2.0300	4.2128	2.1081	2.1081	3.9264	3.9264
O6	2.4214	1.3686	3.3860	2.7285	2.1856		3.5395	1.4498	4.2128	2.0300	3.9264	3.9264	2.1081	2.1081
C7	2.8196	2.3910	2.5329	3.8976	1.4498	3.5395		4.7703	1.0880	5.5611	1.0953	1.0953	5.0149	5.0149
C8	2.8196	2.3910	3.8976	2.5329	3.5395	1.4498	4.7703		5.5611	1.0880	5.0149	5.0149	1.0953	1.0953
H9	3.8791	3.2654	3.6153	4.9538	2.0300	4.2128	1.0880	5.5611		6.2349	1.7898	1.7898	5.8742	5.8742
H10	3.8791	3.2654	4.9538	3.6153	4.2128	2.0300	5.5611	1.0880	6.2349		5.8742	5.8742	1.7898	1.7898
H11	2.8057	2.7028	2.3251	3.8265	2.1081	3.9264	1.0953	5.0149	1.7898	5.8742		1.7837	5.3280	5.0205
H12	2.8057	2.7028	2.3251	3.8265	2.1081	3.9264	1.0953	5.0149	1.7898	5.8742	1.7837		5.0205	5.3280
H13	2.8057	2.7028	3.8265	2.3251	3.9264	2.1081	5.0149	1.0953	5.8742	1.7898	5.3280	5.0205		1.7837
H14	2.8057	2.7028	3.8265	2.3251	3.9264	2.1081	5.0149	1.0953	5.8742	1.7898	5.0205	5.3280	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.016	C1	C2	O6	127.016
C2	C1	H3	121.433	C2	C1	H4	121.433
C2	O5	C7	116.037	C2	O6	C8	116.037
H3	C1	H4	117.134	O5	C2	O6	105.969
O5	C7	H9	105.353	O5	C7	H11	111.085
O5	C7	H12	111.085	O6	C8	H10	105.353
O6	C8	H13	111.085	O6	C8	H14	111.085
H9	C7	H11	110.126	H9	C7	H12	110.126
H10	C8	H13	110.126	H10	C8	H14	110.126
H11	C7	H12	109.028	H13	C8	H14	109.028

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

using model chemistry: B1B95/3-21G

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	-0.535
2	C	0.600
3	H	0.199
4	H	0.199
5	O	-0.529
6	O	-0.529
7	C	-0.371
8	C	-0.371
9	H	0.240
10	H	0.240
11	H	0.214
12	H	0.214
13	H	0.214
14	H	0.214

<r²>	189.734
(<r²>)^1/2	13.774

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

using model chemistry: B1B95/3-21G

States and conformations

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