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	hartrees
Energy at 0K	-307.653044
Energy at 298.15K	-307.662443
HF Energy	-307.653044
Nuclear repulsion energy	250.133768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3087	1.66
2	A₁	3180	3037	18.52
3	A₁	3037	2900	8.29
4	A₁	1707	1631	314.31
5	A₁	1516	1448	1.02
6	A₁	1495	1428	20.02
7	A₁	1427	1363	9.16
8	A₁	1247	1191	3.50
9	A₁	1204	1150	0.19
10	A₁	913	872	43.78
11	A₁	515	492	0.85
12	A₁	278	266	4.98
13	A₂	3103	2963	0.00
14	A₂	1500	1432	0.00
15	A₂	1184	1130	0.00
16	A₂	675	644	0.00
17	A₂	230	220	0.00
18	A₂	125	119	0.00
19	B₁	3104	2964	66.80
20	B₁	1500	1432	21.21
21	B₁	1187	1134	1.63
22	B₁	748	714	100.52
23	B₁	687	656	1.50
24	B₁	253	241	0.08
25	B₁	91	87	9.99
26	B₂	3320	3171	2.60
27	B₂	3180	3037	16.62
28	B₂	3037	2900	60.97
29	B₂	1509	1441	86.35
30	B₂	1506	1438	0.03
31	B₂	1378	1316	511.99
32	B₂	1230	1175	12.37
33	B₂	1091	1042	100.29
34	B₂	953	910	0.79
35	B₂	570	544	0.42
36	B₂	394	376	6.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.354
C2	0.000	0.000	-0.017
H3	0.000	0.896	1.872
H4	0.000	-0.896	1.872
O5	0.000	1.226	-0.788
O6	0.000	-1.226	-0.788
C7	0.000	2.497	-0.034
C8	0.000	-2.497	-0.034
H9	0.000	3.370	-0.610
H10	0.000	-3.370	-0.610
H11	-0.809	2.678	0.616
H12	0.809	2.678	0.616
H13	0.809	-2.678	0.616
H14	-0.809	-2.678	0.616

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3705	1.0347	1.0347	2.4677	2.4677	2.8572	2.8572	3.8998	3.8998	2.8925	2.8925	2.8925	2.8925
C2	1.3705		2.0904	2.0904	1.4484	1.4484	2.4974	2.4974	3.4213	3.4213	2.8677	2.8677	2.8677	2.8677
H3	1.0347	2.0904		1.7910	2.6804	3.4024	2.4900	3.8917	3.5043	4.9345	2.3252	2.3252	3.8727	3.8727
H4	1.0347	2.0904	1.7910		3.4024	2.6804	3.8917	2.4900	4.9345	3.5043	3.8727	3.8727	2.3252	2.3252
O5	2.4677	1.4484	2.6804	3.4024		2.4521	1.4778	3.7989	2.1508	4.5990	2.1754	2.1754	4.2265	4.2265
O6	2.4677	1.4484	3.4024	2.6804	2.4521		3.7989	1.4778	4.5990	2.1508	4.2265	4.2265	2.1754	2.1754
C7	2.8572	2.4974	2.4900	3.8917	1.4778	3.7989		4.9947	1.0449	5.8950	1.0534	1.0534	5.2779	5.2779
C8	2.8572	2.4974	3.8917	2.4900	3.7989	1.4778	4.9947		5.8950	1.0449	5.2779	5.2779	1.0534	1.0534
H9	3.8998	3.4213	3.5043	4.9345	2.1508	4.5990	1.0449	5.8950		6.7390	1.6235	1.6235	6.2229	6.2229
H10	3.8998	3.4213	4.9345	3.5043	4.5990	2.1508	5.8950	1.0449	6.7390		6.2229	6.2229	1.6235	1.6235
H11	2.8925	2.8677	2.3252	3.8727	2.1754	4.2265	1.0534	5.2779	1.6235	6.2229		1.6172	5.5940	5.3551
H12	2.8925	2.8677	2.3252	3.8727	2.1754	4.2265	1.0534	5.2779	1.6235	6.2229	1.6172		5.3551	5.5940
H13	2.8925	2.8677	3.8727	2.3252	4.2265	2.1754	5.2779	1.0534	6.2229	1.6235	5.5940	5.3551		1.6172
H14	2.8925	2.8677	3.8727	2.3252	4.2265	2.1754	5.2779	1.0534	6.2229	1.6235	5.3551	5.5940	1.6172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	122.166	C1	C2	O6	122.166
C2	C1	H3	120.064	C2	C1	H4	120.064
C2	O5	C7	117.178	C2	O6	C8	117.178
H3	C1	H4	119.873	O5	C2	O6	115.668
O5	C7	H9	115.930	O5	C7	H11	117.522
O5	C7	H12	117.522	O6	C8	H10	115.930
O6	C8	H13	117.522	O6	C8	H14	117.522
H9	C7	H11	101.381	H9	C7	H12	101.381
H10	C8	H13	101.381	H10	C8	H14	101.381
H11	C7	H12	100.282	H13	C8	H14	100.282

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

using model chemistry: wB97X-D/TZVP

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	-0.503
2	C	0.265
3	H	0.151
4	H	0.151
5	O	-0.191
6	O	-0.191
7	C	-0.244
8	C	-0.244
9	H	0.144
10	H	0.144
11	H	0.130
12	H	0.130
13	H	0.130
14	H	0.130

<r²>	185.786
(<r²>)^1/2	13.630

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

using model chemistry: wB97X-D/TZVP

States and conformations

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