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	hartrees
Energy at 0K	-306.297497
Energy at 298.15K	-306.306412
HF Energy	-305.707614
Nuclear repulsion energy	241.090020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3098	0.21
2	A₁	3200	3089	25.99
3	A₁	3028	2923	10.48
4	A₁	1641	1584	179.75
5	A₁	1543	1489	7.83
6	A₁	1506	1454	3.09
7	A₁	1447	1397	24.64
8	A₁	1198	1157	0.99
9	A₁	1071	1034	0.99
10	A₁	807	779	42.20
11	A₁	462	446	0.55
12	A₁	248	239	7.06
13	A₂	3132	3023	0.00
14	A₂	1528	1475	0.00
15	A₂	1150	1110	0.00
16	A₂	639	617	0.00
17	A₂	225	217	0.00
18	A₂	98	94	0.00
19	B₁	3132	3024	92.70
20	B₁	1528	1475	18.27
21	B₁	1155	1115	0.59
22	B₁	653	630	99.82
23	B₁	604	583	36.48
24	B₁	231	223	0.03
25	B₁	85	82	18.29
26	B₂	3312	3197	10.50
27	B₂	3200	3089	16.21
28	B₂	3028	2923	67.93
29	B₂	1540	1487	16.42
30	B₂	1491	1439	9.98
31	B₂	1297	1252	410.68
32	B₂	1190	1149	55.15
33	B₂	1012	977	129.65
34	B₂	877	847	1.37
35	B₂	536	517	0.44
36	B₂	353	341	9.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.456
C2	0.000	0.000	0.083
H3	0.000	0.929	2.023
H4	0.000	-0.929	2.023
O5	0.000	1.119	-0.760
O6	0.000	-1.119	-0.760
C7	0.000	2.453	-0.106
C8	0.000	-2.453	-0.106
H9	0.000	3.158	-0.946
H10	0.000	-3.158	-0.946
H11	-0.906	2.579	0.511
H12	0.906	2.579	0.511
H13	0.906	-2.579	0.511
H14	-0.906	-2.579	0.511

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3733	1.0883	1.0883	2.4830	2.4830	2.9082	2.9082	3.9678	3.9678	2.8922	2.8922	2.8922	2.8922
C2	1.3733		2.1506	2.1506	1.4012	1.4012	2.4600	2.4600	3.3212	3.3212	2.7668	2.7668	2.7668	2.7668
H3	1.0883	2.1506		1.8589	2.7891	3.4554	2.6177	3.9963	3.7120	5.0515	2.4136	2.4136	3.9260	3.9260
H4	1.0883	2.1506	1.8589		3.4554	2.7891	3.9963	2.6177	5.0515	3.7120	3.9260	3.9260	2.4136	2.4136
O5	2.4830	1.4012	2.7891	3.4554		2.2381	1.4853	3.6312	2.0470	4.2807	2.1374	2.1374	4.0141	4.0141
O6	2.4830	1.4012	3.4554	2.7891	2.2381		3.6312	1.4853	4.2807	2.0470	4.0141	4.0141	2.1374	2.1374
C7	2.9082	2.4600	2.6177	3.9963	1.4853	3.6312		4.9055	1.0966	5.6729	1.1035	1.1035	5.1498	5.1498
C8	2.9082	2.4600	3.9963	2.6177	3.6312	1.4853	4.9055		5.6729	1.0966	5.1498	5.1498	1.1035	1.1035
H9	3.9678	3.3212	3.7120	5.0515	2.0470	4.2807	1.0966	5.6729		6.3151	1.8111	1.8111	5.9878	5.9878
H10	3.9678	3.3212	5.0515	3.7120	4.2807	2.0470	5.6729	1.0966	6.3151		5.9878	5.9878	1.8111	1.8111
H11	2.8922	2.7668	2.4136	3.9260	2.1374	4.0141	1.1035	5.1498	1.8111	5.9878		1.8116	5.4669	5.1580
H12	2.8922	2.7668	2.4136	3.9260	2.1374	4.0141	1.1035	5.1498	1.8111	5.9878	1.8116		5.1580	5.4669
H13	2.8922	2.7668	3.9260	2.4136	4.0141	2.1374	5.1498	1.1035	5.9878	1.8111	5.4669	5.1580		1.8116
H14	2.8922	2.7668	3.9260	2.4136	4.0141	2.1374	5.1498	1.1035	5.9878	1.8111	5.1580	5.4669	1.8116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.000	C1	C2	O6	127.000
C2	C1	H3	121.346	C2	C1	H4	121.346
C2	O5	C7	116.882	C2	O6	C8	116.882
H3	C1	H4	117.308	O5	C2	O6	106.001
O5	C7	H9	103.877	O5	C7	H11	110.432
O5	C7	H12	110.432	O6	C8	H10	103.877
O6	C8	H13	110.432	O6	C8	H14	110.432
H9	C7	H11	110.805	H9	C7	H12	110.805
H10	C8	H13	110.805	H10	C8	H14	110.805
H11	C7	H12	110.333	H13	C8	H14	110.333

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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