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	hartrees
Energy at 0K	-307.659657
Energy at 298.15K	-307.669047
HF Energy	-307.659657
Nuclear repulsion energy	250.416660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3086	0.89
2	A₁	3171	3031	19.93
3	A₁	3035	2901	7.43
4	A₁	1710	1635	294.19
5	A₁	1515	1448	0.54
6	A₁	1490	1424	20.84
7	A₁	1426	1364	9.67
8	A₁	1247	1192	3.82
9	A₁	1206	1153	0.27
10	A₁	911	871	39.33
11	A₁	515	492	0.46
12	A₁	276	264	4.91
13	A₂	3100	2963	0.00
14	A₂	1502	1436	0.00
15	A₂	1185	1132	0.00
16	A₂	681	651	0.00
17	A₂	220	210	0.00
18	A₂	132	126	0.00
19	B₁	3100	2964	64.49
20	B₁	1501	1435	18.86
21	B₁	1188	1136	2.76
22	B₁	746	713	82.25
23	B₁	695	664	8.82
24	B₁	245	234	0.06
25	B₁	90	86	8.47
26	B₂	3315	3169	2.95
27	B₂	3170	3031	16.39
28	B₂	3034	2901	64.16
29	B₂	1510	1444	88.89
30	B₂	1501	1435	1.14
31	B₂	1378	1317	490.17
32	B₂	1231	1177	11.30
33	B₂	1093	1045	101.74
34	B₂	956	914	0.78
35	B₂	567	542	0.30
36	B₂	391	374	6.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.353
C2	0.000	0.000	-0.017
H3	0.000	0.895	1.871
H4	0.000	-0.895	1.871
O5	0.000	1.225	-0.788
O6	0.000	-1.225	-0.788
C7	0.000	2.496	-0.034
C8	0.000	-2.496	-0.034
H9	0.000	3.368	-0.609
H10	0.000	-3.368	-0.609
H11	-0.808	2.676	0.616
H12	0.808	2.676	0.616
H13	0.808	-2.676	0.616
H14	-0.808	-2.676	0.616

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3701	1.0340	1.0340	2.4668	2.4668	2.8556	2.8556	3.8978	3.8978	2.8907	2.8907	2.8907	2.8907
C2	1.3701		2.0892	2.0892	1.4476	1.4476	2.4959	2.4959	3.4196	3.4196	2.8660	2.8660	2.8660	2.8660
H3	1.0340	2.0892		1.7903	2.6790	3.4007	2.4884	3.8896	3.5020	4.9319	2.3233	2.3233	3.8702	3.8702
H4	1.0340	2.0892	1.7903		3.4007	2.6790	3.8896	2.4884	4.9319	3.5020	3.8702	3.8702	2.3233	2.3233
O5	2.4668	1.4476	2.6790	3.4007		2.4507	1.4771	3.7967	2.1501	4.5968	2.1744	2.1744	4.2241	4.2241
O6	2.4668	1.4476	3.4007	2.6790	2.4507		3.7967	1.4771	4.5968	2.1501	4.2241	4.2241	2.1744	2.1744
C7	2.8556	2.4959	2.4884	3.8896	1.4771	3.7967		4.9917	1.0444	5.8919	1.0528	1.0528	5.2747	5.2747
C8	2.8556	2.4959	3.8896	2.4884	3.7967	1.4771	4.9917		5.8919	1.0444	5.2747	5.2747	1.0528	1.0528
H9	3.8978	3.4196	3.5020	4.9319	2.1501	4.5968	1.0444	5.8919		6.7360	1.6226	1.6226	6.2195	6.2195
H10	3.8978	3.4196	4.9319	3.5020	4.5968	2.1501	5.8919	1.0444	6.7360		6.2195	6.2195	1.6226	1.6226
H11	2.8907	2.8660	2.3233	3.8702	2.1744	4.2241	1.0528	5.2747	1.6226	6.2195		1.6158	5.5903	5.3517
H12	2.8907	2.8660	2.3233	3.8702	2.1744	4.2241	1.0528	5.2747	1.6226	6.2195	1.6158		5.3517	5.5903
H13	2.8907	2.8660	3.8702	2.3233	4.2241	2.1744	5.2747	1.0528	6.2195	1.6226	5.5903	5.3517		1.6158
H14	2.8907	2.8660	3.8702	2.3233	4.2241	2.1744	5.2747	1.0528	6.2195	1.6226	5.3517	5.5903	1.6158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	122.174	C1	C2	O6	122.174
C2	C1	H3	120.040	C2	C1	H4	120.040
C2	O5	C7	117.159	C2	O6	C8	117.159
H3	C1	H4	119.921	O5	C2	O6	115.653
O5	C7	H9	115.961	O5	C7	H11	117.534
O5	C7	H12	117.534	O6	C8	H10	115.961
O6	C8	H13	117.534	O6	C8	H14	117.534
H9	C7	H11	101.370	H9	C7	H12	101.370
H10	C8	H13	101.370	H10	C8	H14	101.370
H11	C7	H12	100.237	H13	C8	H14	100.237

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.538
2	C	0.328
3	H	0.131
4	H	0.131
5	O	-0.197
6	O	-0.197
7	C	-0.067
8	C	-0.067
9	H	0.097
10	H	0.097
11	H	0.070
12	H	0.070
13	H	0.070
14	H	0.070

<r²>	185.277
(<r²>)^1/2	13.612

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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