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	hartrees
Energy at 0K	-307.598844
Energy at 298.15K	-307.607979
Nuclear repulsion energy	243.999185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3099	0.18
2	A₁	3193	3070	28.70
3	A₁	3035	2918	10.35
4	A₁	1666	1601	238.95
5	A₁	1523	1464	7.19
6	A₁	1497	1439	16.21
7	A₁	1439	1383	13.80
8	A₁	1205	1158	0.47
9	A₁	1118	1075	1.39
10	A₁	834	802	40.51
11	A₁	477	458	0.42
12	A₁	250	240	7.40
13	A₂	3121	3000	0.00
14	A₂	1510	1451	0.00
15	A₂	1153	1108	0.00
16	A₂	662	636	0.00
17	A₂	224	215	0.00
18	A₂	122	118	0.00
19	B₁	3122	3001	102.21
20	B₁	1509	1451	26.06
21	B₁	1158	1113	0.04
22	B₁	814	782	151.86
23	B₁	649	624	1.80
24	B₁	238	229	0.29
25	B₁	96	92	16.51
26	B₂	3321	3193	11.51
27	B₂	3193	3070	16.79
28	B₂	3035	2918	76.55
29	B₂	1517	1459	17.89
30	B₂	1491	1433	33.03
31	B₂	1323	1272	442.79
32	B₂	1193	1147	33.44
33	B₂	1034	994	107.59
34	B₂	903	868	0.49
35	B₂	545	524	0.74
36	B₂	354	341	10.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.443
C2	0.000	0.000	0.085
H3	0.000	0.923	2.007
H4	0.000	-0.923	2.007
O5	0.000	1.106	-0.742
O6	0.000	-1.106	-0.742
C7	0.000	2.423	-0.118
C8	0.000	-2.423	-0.118
H9	0.000	3.132	-0.948
H10	0.000	-3.132	-0.948
H11	-0.898	2.565	0.499
H12	0.898	2.565	0.499
H13	0.898	-2.565	0.499
H14	-0.898	-2.565	0.499

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3577	1.0821	1.0821	2.4484	2.4484	2.8817	2.8817	3.9395	3.9395	2.8768	2.8768	2.8768	2.8768
C2	1.3577		2.1322	2.1322	1.3809	1.3809	2.4311	2.4311	3.2974	3.2974	2.7489	2.7489	2.7489	2.7489
H3	1.0821	2.1322		1.8466	2.7547	3.4167	2.6005	3.9636	3.6886	5.0171	2.4032	2.4032	3.9050	3.9050
H4	1.0821	2.1322	1.8466		3.4167	2.7547	3.9636	2.6005	5.0171	3.6886	3.9050	3.9050	2.4032	2.4032
O5	2.4484	1.3809	2.7547	3.4167		2.2124	1.4568	3.5835	2.0358	4.2427	2.1150	2.1150	3.9778	3.9778
O6	2.4484	1.3809	3.4167	2.7547	2.2124		3.5835	1.4568	4.2427	2.0358	3.9778	3.9778	2.1150	2.1150
C7	2.8817	2.4311	2.6005	3.9636	1.4568	3.5835		4.8452	1.0914	5.6158	1.0985	1.0985	5.1052	5.1052
C8	2.8817	2.4311	3.9636	2.6005	3.5835	1.4568	4.8452		5.6158	1.0914	5.1052	5.1052	1.0985	1.0985
H9	3.9395	3.2974	3.6886	5.0171	2.0358	4.2427	1.0914	5.6158		6.2630	1.7943	1.7943	5.9455	5.9455
H10	3.9395	3.2974	5.0171	3.6886	4.2427	2.0358	5.6158	1.0914	6.2630		5.9455	5.9455	1.7943	1.7943
H11	2.8768	2.7489	2.4032	3.9050	2.1150	3.9778	1.0985	5.1052	1.7943	5.9455		1.7958	5.4352	5.1300
H12	2.8768	2.7489	2.4032	3.9050	2.1150	3.9778	1.0985	5.1052	1.7943	5.9455	1.7958		5.1300	5.4352
H13	2.8768	2.7489	3.9050	2.4032	3.9778	2.1150	5.1052	1.0985	5.9455	1.7943	5.4352	5.1300		1.7958
H14	2.8768	2.7489	3.9050	2.4032	3.9778	2.1150	5.1052	1.0985	5.9455	1.7943	5.1300	5.4352	1.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.771	C1	C2	O6	126.771
C2	C1	H3	121.431	C2	C1	H4	121.431
C2	O5	C7	117.875	C2	O6	C8	117.875
H3	C1	H4	117.138	O5	C2	O6	106.458
O5	C7	H9	105.153	O5	C7	H11	110.948
O5	C7	H12	110.948	O6	C8	H10	105.153
O6	C8	H13	110.948	O6	C8	H14	110.948
H9	C7	H11	110.039	H9	C7	H12	110.039
H10	C8	H13	110.039	H10	C8	H14	110.039
H11	C7	H12	109.638	H13	C8	H14	109.638

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.674
2	C	0.449
3	H	0.211
4	H	0.211
5	O	-0.282
6	O	-0.282
7	C	-0.469
8	C	-0.469
9	H	0.234
10	H	0.234
11	H	0.210
12	H	0.210
13	H	0.210
14	H	0.210

<r²>	194.571
(<r²>)^1/2	13.949

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

using model chemistry: B3LYP/SDD

States and conformations

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