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	hartrees
Energy at 0K	-306.265089
Energy at 298.15K	-306.274203
HF Energy	-305.656257
Nuclear repulsion energy	242.792837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3096	0.00
2	A₁	3218	3079	18.37
3	A₁	3063	2931	6.69
4	A₁	1685	1612	137.26
5	A₁	1579	1511	4.28
6	A₁	1530	1464	3.26
7	A₁	1476	1412	16.20
8	A₁	1218	1165	1.78
9	A₁	1087	1041	0.87
10	A₁	833	797	38.74
11	A₁	474	454	0.26
12	A₁	254	243	6.07
13	A₂	3146	3010	0.00
14	A₂	1559	1492	0.00
15	A₂	1175	1124	0.00
16	A₂	669	640	0.00
17	A₂	232	222	0.00
18	A₂	105	101	0.00
19	B₁	3147	3011	74.38
20	B₁	1559	1492	14.19
21	B₁	1179	1128	1.63
22	B₁	730	698	97.42
23	B₁	615	588	18.45
24	B₁	249	238	0.13
25	B₁	86	83	14.96
26	B₂	3324	3181	7.94
27	B₂	3217	3078	12.05
28	B₂	3063	2931	43.72
29	B₂	1577	1509	16.05
30	B₂	1519	1453	10.76
31	B₂	1324	1266	398.30
32	B₂	1209	1157	44.10
33	B₂	1026	981	118.20
34	B₂	900	861	2.70
35	B₂	554	530	0.63
36	B₂	363	348	9.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.439
C2	0.000	0.000	0.082
H3	0.000	0.922	2.009
H4	0.000	-0.922	2.009
O5	0.000	1.113	-0.757
O6	0.000	-1.113	-0.757
C7	0.000	2.434	-0.102
C8	0.000	-2.434	-0.102
H9	0.000	3.143	-0.931
H10	0.000	-3.143	-0.931
H11	-0.899	2.559	0.515
H12	0.899	2.559	0.515
H13	0.899	-2.559	0.515
H14	-0.899	-2.559	0.515

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3577	1.0837	1.0837	2.4624	2.4624	2.8807	2.8807	3.9366	3.9366	2.8656	2.8656	2.8656	2.8656
C2	1.3577		2.1363	2.1363	1.3936	1.3936	2.4406	2.4406	3.3023	3.3023	2.7469	2.7469	2.7469	2.7469
H3	1.0837	2.1363		1.8442	2.7724	3.4338	2.5962	3.9644	3.6842	5.0167	2.3914	2.3914	3.8934	3.8934
H4	1.0837	2.1363	1.8442		3.4338	2.7724	3.9644	2.5962	5.0167	3.6842	3.8934	3.8934	2.3914	2.3914
O5	2.4624	1.3936	2.7724	3.4338		2.2259	1.4742	3.6066	2.0378	4.2598	2.1257	2.1257	3.9889	3.9889
O6	2.4624	1.3936	3.4338	2.7724	2.2259		3.6066	1.4742	4.2598	2.0378	3.9889	3.9889	2.1257	2.1257
C7	2.8807	2.4406	2.5962	3.9644	1.4742	3.6066		4.8673	1.0909	5.6381	1.0978	1.0978	5.1105	5.1105
C8	2.8807	2.4406	3.9644	2.5962	3.6066	1.4742	4.8673		5.6381	1.0909	5.1105	5.1105	1.0978	1.0978
H9	3.9366	3.3023	3.6842	5.0167	2.0378	4.2598	1.0909	5.6381		6.2866	1.8000	1.8000	5.9512	5.9512
H10	3.9366	3.3023	5.0167	3.6842	4.2598	2.0378	5.6381	1.0909	6.2866		5.9512	5.9512	1.8000	1.8000
H11	2.8656	2.7469	2.3914	3.8934	2.1257	3.9889	1.0978	5.1105	1.8000	5.9512		1.7981	5.4250	5.1184
H12	2.8656	2.7469	2.3914	3.8934	2.1257	3.9889	1.0978	5.1105	1.8000	5.9512	1.7981		5.1184	5.4250
H13	2.8656	2.7469	3.8934	2.3914	3.9889	2.1257	5.1105	1.0978	5.9512	1.8000	5.4250	5.1184		1.7981
H14	2.8656	2.7469	3.8934	2.3914	3.9889	2.1257	5.1105	1.0978	5.9512	1.8000	5.1184	5.4250	1.7981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.005	C1	C2	O6	127.005
C2	C1	H3	121.693	C2	C1	H4	121.693
C2	O5	C7	116.614	C2	O6	C8	116.614
H3	C1	H4	116.615	O5	C2	O6	105.989
O5	C7	H9	104.200	O5	C7	H11	110.629
O5	C7	H12	110.629	O6	C8	H10	104.200
O6	C8	H13	110.629	O6	C8	H14	110.629
H9	C7	H11	110.653	H9	C7	H12	110.653
H10	C8	H13	110.653	H10	C8	H14	110.653
H11	C7	H12	109.962	H13	C8	H14	109.962

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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