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	hartrees
Energy at 0K	-307.625688
Energy at 298.15K	-307.635110
HF Energy	-307.625688
Nuclear repulsion energy	250.035624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3082	0.92
2	A₁	3172	3034	23.17
3	A₁	3029	2897	7.47
4	A₁	1715	1641	293.59
5	A₁	1513	1447	1.87
6	A₁	1492	1427	22.61
7	A₁	1418	1356	6.19
8	A₁	1248	1194	3.55
9	A₁	1207	1154	0.48
10	A₁	912	873	43.82
11	A₁	514	491	0.54
12	A₁	277	265	4.80
13	A₂	3096	2961	0.00
14	A₂	1498	1433	0.00
15	A₂	1184	1133	0.00
16	A₂	678	648	0.00
17	A₂	236	226	0.00
18	A₂	132	126	0.00
19	B₁	3096	2962	76.64
20	B₁	1498	1433	19.75
21	B₁	1187	1136	1.98
22	B₁	745	713	98.35
23	B₁	693	663	4.60
24	B₁	262	251	0.09
25	B₁	91	87	9.75
26	B₂	3309	3165	3.64
27	B₂	3172	3034	17.56
28	B₂	3029	2897	64.24
29	B₂	1508	1442	90.93
30	B₂	1505	1440	2.71
31	B₂	1378	1318	515.30
32	B₂	1230	1177	11.54
33	B₂	1091	1043	93.04
34	B₂	948	907	1.06
35	B₂	563	539	0.49
36	B₂	390	373	7.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.355
C2	0.000	0.000	-0.016
H3	0.000	0.896	1.873
H4	0.000	-0.896	1.873
O5	0.000	1.226	-0.787
O6	0.000	-1.226	-0.787
C7	0.000	2.498	-0.035
C8	0.000	-2.498	-0.035
H9	0.000	3.370	-0.611
H10	0.000	-3.370	-0.611
H11	-0.809	2.679	0.616
H12	0.809	2.679	0.616
H13	0.809	-2.679	0.616
H14	-0.809	-2.679	0.616

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3713	1.0349	1.0349	2.4684	2.4684	2.8585	2.8585	3.9015	3.9015	2.8943	2.8943	2.8943	2.8943
C2	1.3713		2.0912	2.0912	1.4483	1.4483	2.4979	2.4979	3.4220	3.4220	2.8688	2.8688	2.8688	2.8688
H3	1.0349	2.0912		1.7915	2.6813	3.4032	2.4917	3.8934	3.5064	4.9365	2.3271	2.3271	3.8748	3.8748
H4	1.0349	2.0912	1.7915		3.4032	2.6813	3.8934	2.4917	4.9365	3.5064	3.8748	3.8748	2.3271	2.3271
O5	2.4684	1.4483	2.6813	3.4032		2.4518	1.4778	3.7990	2.1512	4.5991	2.1759	2.1759	4.2274	4.2274
O6	2.4684	1.4483	3.4032	2.6813	2.4518		3.7990	1.4778	4.5991	2.1512	4.2274	4.2274	2.1759	2.1759
C7	2.8585	2.4979	2.4917	3.8934	1.4778	3.7990		4.9957	1.0452	5.8959	1.0538	1.0538	5.2798	5.2798
C8	2.8585	2.4979	3.8934	2.4917	3.7990	1.4778	4.9957		5.8959	1.0452	5.2798	5.2798	1.0538	1.0538
H9	3.9015	3.4220	3.5064	4.9365	2.1512	4.5991	1.0452	5.8959		6.7397	1.6239	1.6239	6.2247	6.2247
H10	3.9015	3.4220	4.9365	3.5064	4.5991	2.1512	5.8959	1.0452	6.7397		6.2247	6.2247	1.6239	1.6239
H11	2.8943	2.8688	2.3271	3.8748	2.1759	4.2274	1.0538	5.2798	1.6239	6.2247		1.6176	5.5967	5.3578
H12	2.8943	2.8688	2.3271	3.8748	2.1759	4.2274	1.0538	5.2798	1.6239	6.2247	1.6176		5.3578	5.5967
H13	2.8943	2.8688	3.8748	2.3271	4.2274	2.1759	5.2798	1.0538	6.2247	1.6239	5.5967	5.3578		1.6176
H14	2.8943	2.8688	3.8748	2.3271	4.2274	2.1759	5.2798	1.0538	6.2247	1.6239	5.3578	5.5967	1.6176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	122.174	C1	C2	O6	122.174
C2	C1	H3	120.060	C2	C1	H4	120.060
C2	O5	C7	117.218	C2	O6	C8	117.218
H3	C1	H4	119.881	O5	C2	O6	115.652
O5	C7	H9	115.936	O5	C7	H11	117.538
O5	C7	H12	117.538	O6	C8	H10	115.936
O6	C8	H13	117.538	O6	C8	H14	117.538
H9	C7	H11	101.368	H9	C7	H12	101.368
H10	C8	H13	101.368	H10	C8	H14	101.368
H11	C7	H12	100.262	H13	C8	H14	100.262

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

using model chemistry: wB97X-D/6-311G**

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	-0.451
2	C	0.391
3	H	0.124
4	H	0.124
5	O	-0.308
6	O	-0.308
7	C	-0.167
8	C	-0.167
9	H	0.138
10	H	0.138
11	H	0.122
12	H	0.122
13	H	0.122
14	H	0.122

<r²>	185.622
(<r²>)^1/2	13.624

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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