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	hartrees
Energy at 0K	-307.384479
Energy at 298.15K	-307.393706
Nuclear repulsion energy	248.166821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3120	0.32
2	A₁	3071	3050	18.47
3	A₁	2940	2920	7.48
4	A₁	1643	1631	231.96
5	A₁	1460	1450	3.70
6	A₁	1429	1419	14.01
7	A₁	1368	1358	7.80
8	A₁	1186	1178	3.53
9	A₁	1132	1125	0.05
10	A₁	866	860	33.41
11	A₁	493	490	0.42
12	A₁	261	259	4.43
13	A₂	2998	2978	0.00
14	A₂	1435	1425	0.00
15	A₂	1134	1126	0.00
16	A₂	650	646	0.00
17	A₂	231	229	0.00
18	A₂	136	135	0.00
19	B₁	2999	2978	68.17
20	B₁	1434	1424	18.31
21	B₁	1138	1131	1.60
22	B₁	677	673	63.87
23	B₁	653	649	12.48
24	B₁	251	250	0.00
25	B₁	103	102	7.37
26	B₂	3224	3202	3.33
27	B₂	3071	3050	13.54
28	B₂	2940	2919	73.62
29	B₂	1455	1445	17.11
30	B₂	1435	1425	54.88
31	B₂	1289	1280	425.22
32	B₂	1173	1164	19.60
33	B₂	1031	1024	101.73
34	B₂	912	905	1.10
35	B₂	544	540	0.48
36	B₂	371	369	7.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.421
C2	0.000	0.000	0.072
H3	0.000	0.928	1.982
H4	0.000	-0.928	1.982
O5	0.000	1.083	-0.744
O6	0.000	-1.083	-0.744
C7	0.000	2.357	-0.106
C8	0.000	-2.357	-0.106
H9	0.000	3.096	-0.914
H10	0.000	-3.096	-0.914
H11	-0.898	2.489	0.518
H12	0.898	2.489	0.518
H13	0.898	-2.489	0.518
H14	-0.898	-2.489	0.518

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3488	1.0843	1.0843	2.4206	2.4206	2.8083	2.8083	3.8778	3.8778	2.7963	2.7963	2.7963	2.7963
C2	1.3488		2.1232	2.1232	1.3560	1.3560	2.3634	2.3634	3.2491	3.2491	2.6838	2.6838	2.6838	2.6838
H3	1.0843	2.1232		1.8560	2.7300	3.3872	2.5301	3.8922	3.6176	4.9576	2.3210	2.3210	3.8247	3.8247
H4	1.0843	2.1232	1.8560		3.3872	2.7300	3.8922	2.5301	4.9576	3.6176	3.8247	3.8247	2.3210	2.3210
O5	2.4206	1.3560	2.7300	3.3872		2.1662	1.4241	3.4983	2.0198	4.1822	2.0920	2.0920	3.8938	3.8938
O6	2.4206	1.3560	3.3872	2.7300	2.1662		3.4983	1.4241	4.1822	2.0198	3.8938	3.8938	2.0920	2.0920
C7	2.8083	2.3634	2.5301	3.8922	1.4241	3.4983		4.7132	1.0950	5.5118	1.1019	1.1019	4.9680	4.9680
C8	2.8083	2.3634	3.8922	2.5301	3.4983	1.4241	4.7132		5.5118	1.0950	4.9680	4.9680	1.1019	1.1019
H9	3.8778	3.2491	3.6176	4.9576	2.0198	4.1822	1.0950	5.5118		6.1913	1.7961	1.7961	5.8354	5.8354
H10	3.8778	3.2491	4.9576	3.6176	4.1822	2.0198	5.5118	1.0950	6.1913		5.8354	5.8354	1.7961	1.7961
H11	2.7963	2.6838	2.3210	3.8247	2.0920	3.8938	1.1019	4.9680	1.7961	5.8354		1.7962	5.2929	4.9789
H12	2.7963	2.6838	2.3210	3.8247	2.0920	3.8938	1.1019	4.9680	1.7961	5.8354	1.7962		4.9789	5.2929
H13	2.7963	2.6838	3.8247	2.3210	3.8938	2.0920	4.9680	1.1019	5.8354	1.7961	5.2929	4.9789		1.7962
H14	2.7963	2.6838	3.8247	2.3210	3.8938	2.0920	4.9680	1.1019	5.8354	1.7961	4.9789	5.2929	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.993	C1	C2	O6	126.993
C2	C1	H3	121.145	C2	C1	H4	121.145
C2	O5	C7	116.420	C2	O6	C8	116.420
H3	C1	H4	117.710	O5	C2	O6	106.014
O5	C7	H9	105.860	O5	C7	H11	111.187
O5	C7	H12	111.187	O6	C8	H10	105.860
O6	C8	H13	111.187	O6	C8	H14	111.187
H9	C7	H11	109.684	H9	C7	H12	109.684
H10	C8	H13	109.684	H10	C8	H14	109.684
H11	C7	H12	109.185	H13	C8	H14	109.185

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.446
2	C	0.260
3	H	0.099
4	H	0.099
5	O	-0.160
6	O	-0.160
7	C	-0.112
8	C	-0.112
9	H	0.109
10	H	0.109
11	H	0.079
12	H	0.079
13	H	0.079
14	H	0.079

<r²>	188.051
(<r²>)^1/2	13.713

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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