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	hartrees
Energy at 0K	-307.305932
Energy at 298.15K	-307.315310
HF Energy	-307.018814
Nuclear repulsion energy	248.787983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3097	0.41
2	A₁	3204	3042	23.57
3	A₁	3071	2915	6.42
4	A₁	1728	1640	217.80
5	A₁	1562	1483	3.50
6	A₁	1526	1448	8.05
7	A₁	1463	1389	14.27
8	A₁	1252	1189	3.91
9	A₁	1189	1129	0.11
10	A₁	900	854	39.32
11	A₁	506	480	0.30
12	A₁	273	259	4.66
13	A₂	3139	2980	0.00
14	A₂	1539	1461	0.00
15	A₂	1200	1139	0.00
16	A₂	684	649	0.00
17	A₂	251	238	0.00
18	A₂	126	120	0.00
19	B₁	3140	2980	74.94
20	B₁	1539	1461	11.78
21	B₁	1205	1144	2.07
22	B₁	704	668	91.58
23	B₁	674	640	3.13
24	B₁	271	258	0.02
25	B₁	98	93	9.50
26	B₂	3344	3174	5.23
27	B₂	3204	3042	16.34
28	B₂	3071	2915	61.56
29	B₂	1558	1479	16.75
30	B₂	1528	1450	31.82
31	B₂	1375	1305	491.12
32	B₂	1241	1178	18.28
33	B₂	1086	1030	108.93
34	B₂	961	913	0.07
35	B₂	566	537	0.13
36	B₂	388	369	8.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.420
C2	0.000	0.000	0.075
H3	0.000	0.921	1.981
H4	0.000	-0.921	1.981
O5	0.000	1.081	-0.739
O6	0.000	-1.081	-0.739
C7	0.000	2.354	-0.109
C8	0.000	-2.354	-0.109
H9	0.000	3.083	-0.918
H10	0.000	-3.083	-0.918
H11	-0.893	2.487	0.510
H12	0.893	2.487	0.510
H13	0.893	-2.487	0.510
H14	-0.893	-2.487	0.510

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3449	1.0785	1.0785	2.4145	2.4145	2.8069	2.8069	3.8689	3.8689	2.7947	2.7947	2.7947	2.7947
C2	1.3449		2.1169	2.1169	1.3533	1.3533	2.3612	2.3612	3.2388	3.2388	2.6782	2.6782	2.6782	2.6782
H3	1.0785	2.1169		1.8418	2.7248	3.3775	2.5341	3.8850	3.6162	4.9430	2.3266	2.3266	3.8177	3.8177
H4	1.0785	2.1169	1.8418		3.3775	2.7248	3.8850	2.5341	4.9430	3.6162	3.8177	3.8177	2.3266	2.3266
O5	2.4145	1.3533	2.7248	3.3775		2.1624	1.4203	3.4926	2.0097	4.1680	2.0821	2.0821	3.8847	3.8847
O6	2.4145	1.3533	3.3775	2.7248	2.1624		3.4926	1.4203	4.1680	2.0097	3.8847	3.8847	2.0821	2.0821
C7	2.8069	2.3612	2.5341	3.8850	1.4203	3.4926		4.7081	1.0888	5.4968	1.0947	1.0947	4.9616	4.9616
C8	2.8069	2.3612	3.8850	2.5341	3.4926	1.4203	4.7081		5.4968	1.0888	4.9616	4.9616	1.0947	1.0947
H9	3.8689	3.2388	3.6162	4.9430	2.0097	4.1680	1.0888	5.4968		6.1659	1.7865	1.7865	5.8191	5.8191
H10	3.8689	3.2388	4.9430	3.6162	4.1680	2.0097	5.4968	1.0888	6.1659		5.8191	5.8191	1.7865	1.7865
H11	2.7947	2.6782	2.3266	3.8177	2.0821	3.8847	1.0947	4.9616	1.7865	5.8191		1.7859	5.2851	4.9742
H12	2.7947	2.6782	2.3266	3.8177	2.0821	3.8847	1.0947	4.9616	1.7865	5.8191	1.7859		4.9742	5.2851
H13	2.7947	2.6782	3.8177	2.3266	3.8847	2.0821	4.9616	1.0947	5.8191	1.7865	5.2851	4.9742		1.7859
H14	2.7947	2.6782	3.8177	2.3266	3.8847	2.0821	4.9616	1.0947	5.8191	1.7865	4.9742	5.2851	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.974	C1	C2	O6	126.974
C2	C1	H3	121.359	C2	C1	H4	121.359
C2	O5	C7	116.686	C2	O6	C8	116.686
H3	C1	H4	117.282	O5	C2	O6	106.052
O5	C7	H9	105.685	O5	C7	H11	111.093
O5	C7	H12	111.093	O6	C8	H10	105.685
O6	C8	H13	111.093	O6	C8	H14	111.093
H9	C7	H11	109.804	H9	C7	H12	109.804
H10	C8	H13	109.804	H10	C8	H14	109.804
H11	C7	H12	109.305	H13	C8	H14	109.305

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

using model chemistry: B2PLYP/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	-0.550
2	C	0.697
3	H	0.160
4	H	0.160
5	O	-0.531
6	O	-0.531
7	C	-0.208
8	C	-0.208
9	H	0.181
10	H	0.181
11	H	0.162
12	H	0.162
13	H	0.162
14	H	0.162

<r²>	186.933
(<r²>)^1/2	13.672

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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