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	hartrees
Energy at 0K	-304.707878
Energy at 298.15K	-304.717143
HF Energy	-304.108541
Nuclear repulsion energy	243.768285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3093	0.27
2	A₁	3204	3048	20.20
3	A₁	3073	2924	5.13
4	A₁	1686	1604	127.92
5	A₁	1613	1534	4.66
6	A₁	1556	1480	1.41
7	A₁	1495	1422	24.26
8	A₁	1222	1163	1.65
9	A₁	1108	1054	0.98
10	A₁	834	794	35.46
11	A₁	484	461	0.06
12	A₁	258	245	5.83
13	A₂	3135	2982	0.00
14	A₂	1590	1512	0.00
15	A₂	1191	1133	0.00
16	A₂	685	652	0.00
17	A₂	243	231	0.00
18	A₂	116	110	0.00
19	B₁	3136	2983	70.64
20	B₁	1590	1512	11.74
21	B₁	1195	1137	0.24
22	B₁	790	752	120.19
23	B₁	673	640	7.10
24	B₁	263	251	0.16
25	B₁	87	83	12.87
26	B₂	3334	3171	5.65
27	B₂	3203	3047	12.29
28	B₂	3073	2924	36.13
29	B₂	1610	1532	18.11
30	B₂	1540	1465	7.11
31	B₂	1339	1274	388.72
32	B₂	1214	1155	53.81
33	B₂	1043	992	121.69
34	B₂	919	875	0.22
35	B₂	557	530	0.17
36	B₂	366	349	10.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.427
C2	0.000	0.000	0.079
H3	0.000	0.919	1.993
H4	0.000	-0.919	1.993
O5	0.000	1.106	-0.761
O6	0.000	-1.106	-0.761
C7	0.000	2.420	-0.095
C8	0.000	-2.420	-0.095
H9	0.000	3.143	-0.910
H10	0.000	-3.143	-0.910
H11	-0.893	2.548	0.527
H12	0.893	2.548	0.527
H13	0.893	-2.548	0.527
H14	-0.893	-2.548	0.527

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3479	1.0796	1.0796	2.4515	2.4515	2.8584	2.8584	3.9162	3.9162	2.8459	2.8459	2.8459	2.8459
C2	1.3479		2.1231	2.1231	1.3888	1.3888	2.4258	2.4258	3.2946	3.2946	2.7367	2.7367	2.7367	2.7367
H3	1.0796	2.1231		1.8389	2.7600	3.4184	2.5708	3.9380	3.6561	4.9926	2.3659	2.3659	3.8689	3.8689
H4	1.0796	2.1231	1.8389		3.4184	2.7600	3.9380	2.5708	4.9926	3.6561	3.8689	3.8689	2.3659	2.3659
O5	2.4515	1.3888	2.7600	3.4184		2.2119	1.4728	3.5879	2.0421	4.2513	2.1295	2.1295	3.9757	3.9757
O6	2.4515	1.3888	3.4184	2.7600	2.2119		3.5879	1.4728	4.2513	2.0421	3.9757	3.9757	2.1295	2.1295
C7	2.8584	2.4258	2.5708	3.9380	1.4728	3.5879		4.8392	1.0894	5.6217	1.0955	1.0955	5.0852	5.0852
C8	2.8584	2.4258	3.9380	2.5708	3.5879	1.4728	4.8392		5.6217	1.0894	5.0852	5.0852	1.0955	1.0955
H9	3.9162	3.2946	3.6561	4.9926	2.0421	4.2513	1.0894	5.6217		6.2854	1.7930	1.7930	5.9366	5.9366
H10	3.9162	3.2946	4.9926	3.6561	4.2513	2.0421	5.6217	1.0894	6.2854		5.9366	5.9366	1.7930	1.7930
H11	2.8459	2.7367	2.3659	3.8689	2.1295	3.9757	1.0955	5.0852	1.7930	5.9366		1.7856	5.3995	5.0958
H12	2.8459	2.7367	2.3659	3.8689	2.1295	3.9757	1.0955	5.0852	1.7930	5.9366	1.7856		5.0958	5.3995
H13	2.8459	2.7367	3.8689	2.3659	3.9757	2.1295	5.0852	1.0955	5.9366	1.7930	5.3995	5.0958		1.7856
H14	2.8459	2.7367	3.8689	2.3659	3.9757	2.1295	5.0852	1.0955	5.9366	1.7930	5.0958	5.3995	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.217	C1	C2	O6	127.217
C2	C1	H3	121.608	C2	C1	H4	121.608
C2	O5	C7	115.897	C2	O6	C8	115.897
H3	C1	H4	116.784	O5	C2	O6	105.565
O5	C7	H9	104.699	O5	C7	H11	111.168
O5	C7	H12	111.168	O6	C8	H10	104.699
O6	C8	H13	111.168	O6	C8	H14	111.168
H9	C7	H11	110.292	H9	C7	H12	110.292
H10	C8	H13	110.292	H10	C8	H14	110.292
H11	C7	H12	109.166	H13	C8	H14	109.166

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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