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	hartrees
Energy at 0K	-306.890120
Energy at 298.15K	-306.899263
HF Energy	-305.911372
Nuclear repulsion energy	249.598136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3099	1.23
2	A₁	3222	3054	17.27
3	A₁	3076	2916	7.74
4	A₁	1707	1618	242.59
5	A₁	1544	1464	4.28
6	A₁	1520	1440	10.86
7	A₁	1449	1373	11.27
8	A₁	1254	1188	3.80
9	A₁	1188	1126	0.20
10	A₁	901	854	41.96
11	A₁	510	484	1.03
12	A₁	280	265	4.62
13	A₂	3157	2993	0.00
14	A₂	1508	1429	0.00
15	A₂	1199	1137	0.00
16	A₂	637	603	0.00
17	A₂	245	233	0.00
18	A₂	82	78	0.00
19	B₁	3158	2994	59.27
20	B₁	1507	1429	16.46
21	B₁	1204	1141	3.30
22	B₁	643	609	8.54
23	B₁	491	465	81.47
24	B₁	251	237	0.07
25	B₁	85	81	8.87
26	B₂	3366	3191	1.76
27	B₂	3222	3054	13.51
28	B₂	3076	2916	57.65
29	B₂	1540	1460	10.84
30	B₂	1522	1443	35.64
31	B₂	1362	1291	513.29
32	B₂	1243	1178	15.43
33	B₂	1079	1023	97.30
34	B₂	953	904	1.26
35	B₂	567	538	0.18
36	B₂	395	374	7.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.408
C2	0.000	0.000	0.064
H3	0.000	0.921	1.963
H4	0.000	-0.921	1.963
O5	0.000	1.079	-0.745
O6	0.000	-1.079	-0.745
C7	0.000	2.343	-0.096
C8	0.000	-2.343	-0.096
H9	0.000	3.081	-0.891
H10	0.000	-3.081	-0.891
H11	-0.892	2.464	0.522
H12	0.892	2.464	0.522
H13	0.892	-2.464	0.522
H14	-0.892	-2.464	0.522

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3447	1.0752	1.0752	2.4086	2.4086	2.7839	2.7839	3.8445	3.8445	2.7661	2.7661	2.7661	2.7661
C2	1.3447		2.1111	2.1111	1.3487	1.3487	2.3481	2.3481	3.2256	3.2256	2.6601	2.6601	2.6601	2.6601
H3	1.0752	2.1111		1.8416	2.7129	3.3669	2.5022	3.8587	3.5798	4.9156	2.2921	2.2921	3.7853	3.7853
H4	1.0752	2.1111	1.8416		3.3669	2.7129	3.8587	2.5022	4.9156	3.5798	3.7853	3.7853	2.2921	2.2921
O5	2.4086	1.3487	2.7129	3.3669		2.1589	1.4203	3.4831	2.0069	4.1630	2.0778	2.0778	3.8672	3.8672
O6	2.4086	1.3487	3.3669	2.7129	2.1589		3.4831	1.4203	4.1630	2.0069	3.8672	3.8672	2.0778	2.0778
C7	2.7839	2.3481	2.5022	3.8587	1.4203	3.4831		4.6853	1.0854	5.4817	1.0916	1.0916	4.9274	4.9274
C8	2.7839	2.3481	3.8587	2.5022	3.4831	1.4203	4.6853		5.4817	1.0854	4.9274	4.9274	1.0916	1.0916
H9	3.8445	3.2256	3.5798	4.9156	2.0069	4.1630	1.0854	5.4817		6.1619	1.7814	1.7814	5.7912	5.7912
H10	3.8445	3.2256	4.9156	3.5798	4.1630	2.0069	5.4817	1.0854	6.1619		5.7912	5.7912	1.7814	1.7814
H11	2.7661	2.6601	2.2921	3.7853	2.0778	3.8672	1.0916	4.9274	1.7814	5.7912		1.7836	5.2406	4.9277
H12	2.7661	2.6601	2.2921	3.7853	2.0778	3.8672	1.0916	4.9274	1.7814	5.7912	1.7836		4.9277	5.2406
H13	2.7661	2.6601	3.7853	2.2921	3.8672	2.0778	4.9274	1.0916	5.7912	1.7814	5.2406	4.9277		1.7836
H14	2.7661	2.6601	3.7853	2.2921	3.8672	2.0778	4.9274	1.0916	5.7912	1.7814	4.9277	5.2406	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.835	C1	C2	O6	126.835
C2	C1	H3	121.081	C2	C1	H4	121.081
C2	O5	C7	115.964	C2	O6	C8	115.964
H3	C1	H4	117.837	O5	C2	O6	106.330
O5	C7	H9	105.661	O5	C7	H11	110.944
O5	C7	H12	110.944	O6	C8	H10	105.661
O6	C8	H13	110.944	O6	C8	H14	110.944
H9	C7	H11	109.831	H9	C7	H12	109.831
H10	C8	H13	109.831	H10	C8	H14	109.831
H11	C7	H12	109.565	H13	C8	H14	109.565

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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