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	hartrees
Energy at 0K	-57.949465
Energy at 298.15K	-57.959196
Nuclear repulsion energy	139.496554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3400	3053	0.00
2	A₁	3349	3008	71.84
3	A₁	3234	2904	10.38
4	A₁	1823	1637	413.33
5	A₁	1642	1474	2.54
6	A₁	1622	1457	10.69
7	A₁	1549	1391	47.32
8	A₁	1339	1203	7.47
9	A₁	1297	1165	0.08
10	A₁	967	869	56.04
11	A₁	531	477	0.85
12	A₁	287	258	5.81
13	A₂	3307	2970	0.00
14	A₂	1633	1466	0.00
15	A₂	1286	1155	0.00
16	A₂	736	661	0.00
17	A₂	278	250	0.00
18	A₂	144	129	0.00
19	B₁	3308	2971	138.17
20	B₁	1633	1466	9.36
21	B₁	1289	1157	5.89
22	B₁	819	735	143.49
23	B₁	739	663	3.64
24	B₁	292	262	0.38
25	B₁	101	91	13.07
26	B₂	3481	3126	17.36
27	B₂	3348	3007	38.24
28	B₂	3233	2903	97.47
29	B₂	1637	1470	32.59
30	B₂	1629	1463	13.70
31	B₂	1491	1339	676.16
32	B₂	1328	1193	6.98
33	B₂	1166	1047	149.45
34	B₂	1025	921	0.01
35	B₂	596	536	0.00
36	B₂	404	363	8.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.420
C2	0.000	0.000	0.061
H3	0.000	0.920	1.977
H4	0.000	-0.920	1.977
O5	0.000	1.077	-0.735
O6	0.000	-1.077	-0.735
C7	0.000	2.353	-0.134
C8	0.000	-2.353	-0.134
H9	0.000	3.067	-0.951
H10	0.000	-3.067	-0.951
H11	-0.891	2.496	0.478
H12	0.891	2.496	0.478
H13	0.891	-2.496	0.478
H14	-0.891	-2.496	0.478

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3586	1.0756	1.0756	2.4087	2.4087	2.8194	2.8194	3.8766	3.8766	2.8129	2.8129	2.8129	2.8129
C2	1.3586		2.1252	2.1252	1.3389	1.3389	2.3607	2.3607	3.2299	3.2299	2.6830	2.6830	2.6830	2.6830
H3	1.0756	2.1252		1.8401	2.7164	3.3676	2.5511	3.8944	3.6308	4.9468	2.3507	2.3507	3.8357	3.8357
H4	1.0756	2.1252	1.8401		3.3676	2.7164	3.8944	2.5511	4.9468	3.6308	3.8357	3.8357	2.3507	2.3507
O5	2.4087	1.3389	2.7164	3.3676		2.1530	1.4106	3.4815	2.0024	4.1494	2.0688	2.0688	3.8767	3.8767
O6	2.4087	1.3389	3.3676	2.7164	2.1530		3.4815	1.4106	4.1494	2.0024	3.8767	3.8767	2.0688	2.0688
C7	2.8194	2.3607	2.5511	3.8944	1.4106	3.4815		4.7053	1.0854	5.4812	1.0901	1.0901	4.9679	4.9679
C8	2.8194	2.3607	3.8944	2.5511	3.4815	1.4106	4.7053		5.4812	1.0854	4.9679	4.9679	1.0901	1.0901
H9	3.8766	3.2299	3.6308	4.9468	2.0024	4.1494	1.0854	5.4812		6.1345	1.7778	1.7778	5.8127	5.8127
H10	3.8766	3.2299	4.9468	3.6308	4.1494	2.0024	5.4812	1.0854	6.1345		5.8127	5.8127	1.7778	1.7778
H11	2.8129	2.6830	2.3507	3.8357	2.0688	3.8767	1.0901	4.9679	1.7778	5.8127		1.7818	5.3010	4.9925
H12	2.8129	2.6830	2.3507	3.8357	2.0688	3.8767	1.0901	4.9679	1.7778	5.8127	1.7818		4.9925	5.3010
H13	2.8129	2.6830	3.8357	2.3507	3.8767	2.0688	4.9679	1.0901	5.8127	1.7778	5.3010	4.9925		1.7818
H14	2.8129	2.6830	3.8357	2.3507	3.8767	2.0688	4.9679	1.0901	5.8127	1.7778	4.9925	5.3010	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.483	C1	C2	O6	126.483
C2	C1	H3	121.199	C2	C1	H4	121.199
C2	O5	C7	118.297	C2	O6	C8	118.297
H3	C1	H4	117.601	O5	C2	O6	107.034
O5	C7	H9	105.954	O5	C7	H11	110.991
O5	C7	H12	110.991	O6	C8	H10	105.954
O6	C8	H13	110.991	O6	C8	H14	110.991
H9	C7	H11	109.608	H9	C7	H12	109.608
H10	C8	H13	109.608	H10	C8	H14	109.608
H11	C7	H12	109.621	H13	C8	H14	109.621

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.548
2	C	0.077
3	H	0.215
4	H	0.215
5	O	-0.193
6	O	-0.193
7	C	-0.258
8	C	-0.258
9	H	0.185
10	H	0.185
11	H	0.143
12	H	0.143
13	H	0.143
14	H	0.143

<r²>	153.682
(<r²>)^1/2	12.397

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

using model chemistry: HF/CEP-31G*

States and conformations

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