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	hartrees
Energy at 0K	-306.072150
Energy at 298.15K	-306.081517
Nuclear repulsion energy	250.585427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3115	2.58
2	A₁	3099	3064	7.65
3	A₁	2938	2904	6.45
4	A₁	1685	1666	255.92
5	A₁	1414	1398	3.17
6	A₁	1384	1368	20.81
7	A₁	1327	1312	0.73
8	A₁	1211	1198	0.15
9	A₁	1151	1138	4.18
10	A₁	897	887	33.56
11	A₁	511	505	0.23
12	A₁	274	271	4.88
13	A₂	3008	2974	0.00
14	A₂	1388	1372	0.00
15	A₂	1119	1106	0.00
16	A₂	647	640	0.00
17	A₂	233	231	0.00
18	A₂	160	158	0.00
19	B₁	3009	2975	46.12
20	B₁	1387	1371	28.57
21	B₁	1124	1111	0.44
22	B₁	689	681	50.80
23	B₁	656	649	29.73
24	B₁	259	256	0.00
25	B₁	117	116	7.27
26	B₂	3246	3210	0.29
27	B₂	3099	3064	8.16
28	B₂	2938	2904	68.99
29	B₂	1427	1411	289.42
30	B₂	1404	1389	33.10
31	B₂	1327	1312	214.09
32	B₂	1151	1138	10.57
33	B₂	1081	1069	57.99
34	B₂	911	901	1.26
35	B₂	543	537	0.71
36	B₂	392	387	7.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.399
C2	0.000	0.000	0.051
H3	0.000	0.937	1.963
H4	0.000	-0.937	1.963
O5	0.000	1.076	-0.745
O6	0.000	-1.076	-0.745
C7	0.000	2.319	-0.093
C8	0.000	-2.319	-0.093
H9	0.000	3.086	-0.885
H10	0.000	-3.086	-0.885
H11	-0.904	2.434	0.543
H12	0.904	2.434	0.543
H13	0.904	-2.434	0.543
H14	-0.904	-2.434	0.543

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3483	1.0932	1.0932	2.3992	2.3992	2.7573	2.7573	3.8393	3.8393	2.7338	2.7338	2.7338	2.7338
C2	1.3483		2.1288	2.1288	1.3385	1.3385	2.3232	2.3232	3.2247	3.2247	2.6423	2.6423	2.6423	2.6423
H3	1.0932	2.1288		1.8739	2.7111	3.3739	2.4766	3.8502	3.5673	4.9286	2.2524	2.2524	3.7675	3.7675
H4	1.0932	2.1288	1.8739		3.3739	2.7111	3.8502	2.4766	4.9286	3.5673	3.7675	3.7675	2.2524	2.2524
O5	2.3992	1.3385	2.7111	3.3739		2.1522	1.4034	3.4569	2.0146	4.1644	2.0782	2.0782	3.8463	3.8463
O6	2.3992	1.3385	3.3739	2.7111	2.1522		3.4569	1.4034	4.1644	2.0146	3.8463	3.8463	2.0782	2.0782
C7	2.7573	2.3232	2.4766	3.8502	1.4034	3.4569		4.6375	1.1027	5.4624	1.1113	1.1113	4.8791	4.8791
C8	2.7573	2.3232	3.8502	2.4766	3.4569	1.4034	4.6375		5.4624	1.1027	4.8791	4.8791	1.1113	1.1113
H9	3.8393	3.2247	3.5673	4.9286	2.0146	4.1644	1.1027	5.4624		6.1718	1.8115	1.8115	5.7724	5.7724
H10	3.8393	3.2247	4.9286	3.5673	4.1644	2.0146	5.4624	1.1027	6.1718		5.7724	5.7724	1.8115	1.8115
H11	2.7338	2.6423	2.2524	3.7675	2.0782	3.8463	1.1113	4.8791	1.8115	5.7724		1.8088	5.1923	4.8671
H12	2.7338	2.6423	2.2524	3.7675	2.0782	3.8463	1.1113	4.8791	1.8115	5.7724	1.8088		4.8671	5.1923
H13	2.7338	2.6423	3.7675	2.2524	3.8463	2.0782	4.8791	1.1113	5.7724	1.8115	5.1923	4.8671		1.8088
H14	2.7338	2.6423	3.7675	2.2524	3.8463	2.0782	4.8791	1.1113	5.7724	1.8115	4.8671	5.1923	1.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.491	C1	C2	O6	126.491
C2	C1	H3	121.010	C2	C1	H4	121.010
C2	O5	C7	115.812	C2	O6	C8	115.812
H3	C1	H4	117.981	O5	C2	O6	107.018
O5	C7	H9	106.388	O5	C7	H11	110.933
O5	C7	H12	110.933	O6	C8	H10	106.388
O6	C8	H13	110.933	O6	C8	H14	110.933
H9	C7	H11	109.809	H9	C7	H12	109.809
H10	C8	H13	109.809	H10	C8	H14	109.809
H11	C7	H12	108.942	H13	C8	H14	108.942

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

using model chemistry: LSDA/aug-cc-pVDZ

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	1.006
2	C	0.851
3	H	-0.694
4	H	-0.694
5	O	-0.400
6	O	-0.400
7	C	0.800
8	C	0.800
9	H	-0.472
10	H	-0.472
11	H	-0.082
12	H	-0.082
13	H	-0.082
14	H	-0.082

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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