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	hartrees
Energy at 0K	-58.407948
Energy at 298.15K	-58.416872
HF Energy	-57.808879
Nuclear repulsion energy	134.769131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	3082	8.40
2	A₁	3155	3079	17.60
3	A₁	2975	2904	11.28
4	A₁	1617	1578	171.45
5	A₁	1531	1494	5.68
6	A₁	1499	1463	6.43
7	A₁	1436	1401	24.76
8	A₁	1197	1168	1.35
9	A₁	1068	1043	0.30
10	A₁	802	783	40.04
11	A₁	457	446	0.64
12	A₁	249	243	6.53
13	A₂	3082	3008	0.00
14	A₂	1513	1477	0.00
15	A₂	1144	1116	0.00
16	A₂	635	620	0.00
17	A₂	239	234	0.00
18	A₂	86	84	0.00
19	B₁	3083	3009	90.21
20	B₁	1513	1476	16.07
21	B₁	1148	1121	2.49
22	B₁	631	616	62.05
23	B₁	534	521	53.33
24	B₁	246	240	0.00
25	B₁	80	78	15.64
26	B₂	3262	3184	11.04
27	B₂	3156	3080	16.73
28	B₂	2975	2904	65.52
29	B₂	1528	1491	17.17
30	B₂	1490	1454	4.93
31	B₂	1290	1260	410.27
32	B₂	1188	1160	56.41
33	B₂	1009	985	133.16
34	B₂	880	858	1.21
35	B₂	529	516	0.46
36	B₂	355	347	9.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.447
C2	0.000	0.000	0.069
H3	0.000	0.929	2.012
H4	0.000	-0.929	2.012
O5	0.000	1.124	-0.778
O6	0.000	-1.124	-0.778
C7	0.000	2.453	-0.111
C8	0.000	-2.453	-0.111
H9	0.000	3.166	-0.941
H10	0.000	-3.166	-0.941
H11	-0.906	2.571	0.506
H12	0.906	2.571	0.506
H13	0.906	-2.571	0.506
H14	-0.906	-2.571	0.506

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3783	1.0873	1.0873	2.4932	2.4932	2.9058	2.9058	3.9655	3.9655	2.8834	2.8834	2.8834	2.8834
C2	1.3783		2.1540	2.1540	1.4076	1.4076	2.4591	2.4591	3.3228	3.3228	2.7603	2.7603	2.7603	2.7603
H3	1.0873	2.1540		1.8579	2.7973	3.4645	2.6135	3.9929	3.7048	5.0486	2.4049	2.4049	3.9161	3.9161
H4	1.0873	2.1540	1.8579		3.4645	2.7973	3.9929	2.6135	5.0486	3.7048	3.9161	3.9161	2.4049	2.4049
O5	2.4932	1.4076	2.7973	3.4645		2.2484	1.4864	3.6384	2.0479	4.2929	2.1358	2.1358	4.0152	4.0152
O6	2.4932	1.4076	3.4645	2.7973	2.2484		3.6384	1.4864	4.2929	2.0479	4.0152	4.0152	2.1358	2.1358
C7	2.9058	2.4591	2.6135	3.9929	1.4864	3.6384		4.9051	1.0942	5.6791	1.1023	1.1023	5.1413	5.1413
C8	2.9058	2.4591	3.9929	2.6135	3.6384	1.4864	4.9051		5.6791	1.0942	5.1413	5.1413	1.1023	1.1023
H9	3.9655	3.3228	3.7048	5.0486	2.0479	4.2929	1.0942	5.6791		6.3312	1.8080	1.8080	5.9849	5.9849
H10	3.9655	3.3228	5.0486	3.7048	4.2929	2.0479	5.6791	1.0942	6.3312		5.9849	5.9849	1.8080	1.8080
H11	2.8834	2.7603	2.4049	3.9161	2.1358	4.0152	1.1023	5.1413	1.8080	5.9849		1.8113	5.4509	5.1412
H12	2.8834	2.7603	2.4049	3.9161	2.1358	4.0152	1.1023	5.1413	1.8080	5.9849	1.8113		5.1412	5.4509
H13	2.8834	2.7603	3.9161	2.4049	4.0152	2.1358	5.1413	1.1023	5.9849	1.8080	5.4509	5.1412		1.8113
H14	2.8834	2.7603	3.9161	2.4049	4.0152	2.1358	5.1413	1.1023	5.9849	1.8080	5.1412	5.4509	1.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.998	C1	C2	O6	126.998
C2	C1	H3	121.314	C2	C1	H4	121.314
C2	O5	C7	116.337	C2	O6	C8	116.337
H3	C1	H4	117.373	O5	C2	O6	106.005
O5	C7	H9	104.000	O5	C7	H11	110.305
O5	C7	H12	110.305	O6	C8	H10	104.000
O6	C8	H13	110.305	O6	C8	H14	110.305
H9	C7	H11	110.792	H9	C7	H12	110.792
H10	C8	H13	110.792	H10	C8	H14	110.792
H11	C7	H12	110.481	H13	C8	H14	110.481

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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