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	hartrees
Energy at 0K	-307.777995
Energy at 298.15K	-307.787343
HF Energy	-307.777995
Nuclear repulsion energy	249.149445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3092	0.63
2	A₁	3141	3023	19.92
3	A₁	3018	2905	7.63
4	A₁	1680	1617	272.63
5	A₁	1514	1457	4.87
6	A₁	1489	1433	10.64
7	A₁	1427	1373	16.82
8	A₁	1231	1185	4.21
9	A₁	1169	1125	0.03
10	A₁	890	857	38.98
11	A₁	504	485	0.61
12	A₁	266	256	5.10
13	A₂	3076	2961	0.00
14	A₂	1493	1437	0.00
15	A₂	1178	1134	0.00
16	A₂	674	649	0.00
17	A₂	233	224	0.00
18	A₂	135	130	0.00
19	B₁	3076	2961	64.92
20	B₁	1492	1437	18.19
21	B₁	1182	1138	2.12
22	B₁	732	705	78.99
23	B₁	682	656	3.85
24	B₁	249	240	0.18
25	B₁	103	99	8.57
26	B₂	3295	3172	3.41
27	B₂	3141	3023	15.87
28	B₂	3018	2905	67.99
29	B₂	1508	1452	17.45
30	B₂	1493	1437	42.00
31	B₂	1336	1286	480.28
32	B₂	1220	1174	18.41
33	B₂	1062	1022	122.50
34	B₂	941	906	0.37
35	B₂	563	542	0.30
36	B₂	378	364	7.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.360
C2	0.000	0.000	-0.011
H3	0.000	0.895	1.879
H4	0.000	-0.895	1.879
O5	0.000	1.226	-0.786
O6	0.000	-1.226	-0.786
C7	0.000	2.503	-0.039
C8	0.000	-2.503	-0.039
H9	0.000	3.371	-0.623
H10	0.000	-3.371	-0.623
H11	-0.809	2.687	0.610
H12	0.809	2.687	0.610
H13	0.809	-2.687	0.610
H14	-0.809	-2.687	0.610

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3716	1.0345	1.0345	2.4718	2.4718	2.8678	2.8678	3.9105	3.9105	2.9044	2.9044	2.9044	2.9044
C2	1.3716		2.0914	2.0914	1.4503	1.4503	2.5033	2.5033	3.4255	3.4255	2.8738	2.8738	2.8738	2.8738
H3	1.0345	2.0914		1.7905	2.6851	3.4060	2.5027	3.9022	3.5190	4.9450	2.3396	2.3396	3.8851	3.8851
H4	1.0345	2.0914	1.7905		3.4060	2.6851	3.9022	2.5027	4.9450	3.5190	3.8851	3.8851	2.3396	2.3396
O5	2.4718	1.4503	2.6851	3.4060		2.4522	1.4794	3.8033	2.1506	4.5996	2.1764	2.1764	4.2323	4.2323
O6	2.4718	1.4503	3.4060	2.6851	2.4522		3.8033	1.4794	4.5996	2.1506	4.2323	4.2323	2.1764	2.1764
C7	2.8678	2.5033	2.5027	3.9022	1.4794	3.8033		5.0063	1.0453	5.9026	1.0537	1.0537	5.2924	5.2924
C8	2.8678	2.5033	3.9022	2.5027	3.8033	1.4794	5.0063		5.9026	1.0453	5.2924	5.2924	1.0537	1.0537
H9	3.9105	3.4255	3.5190	4.9450	2.1506	4.5996	1.0453	5.9026		6.7411	1.6255	1.6255	6.2340	6.2340
H10	3.9105	3.4255	4.9450	3.5190	4.5996	2.1506	5.9026	1.0453	6.7411		6.2340	6.2340	1.6255	1.6255
H11	2.9044	2.8738	2.3396	3.8851	2.1764	4.2323	1.0537	5.2924	1.6255	6.2340		1.6190	5.6117	5.3731
H12	2.9044	2.8738	2.3396	3.8851	2.1764	4.2323	1.0537	5.2924	1.6255	6.2340	1.6190		5.3731	5.6117
H13	2.9044	2.8738	3.8851	2.3396	4.2323	2.1764	5.2924	1.0537	6.2340	1.6255	5.6117	5.3731		1.6190
H14	2.9044	2.8738	3.8851	2.3396	4.2323	2.1764	5.2924	1.0537	6.2340	1.6255	5.3731	5.6117	1.6190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	122.283	C1	C2	O6	122.283
C2	C1	H3	120.075	C2	C1	H4	120.075
C2	O5	C7	117.398	C2	O6	C8	117.398
H3	C1	H4	119.849	O5	C2	O6	115.433
O5	C7	H9	115.758	O5	C7	H11	117.466
O5	C7	H12	117.466	O6	C8	H10	115.758
O6	C8	H13	117.466	O6	C8	H14	117.466
H9	C7	H11	101.500	H9	C7	H12	101.500
H10	C8	H13	101.500	H10	C8	H14	101.500
H11	C7	H12	100.396	H13	C8	H14	100.396

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

using model chemistry: B3LYP/Def2TZVPP

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	-0.385
2	C	0.352
3	H	0.083
4	H	0.083
5	O	-0.262
6	O	-0.262
7	C	-0.151
8	C	-0.151
9	H	0.126
10	H	0.126
11	H	0.110
12	H	0.110
13	H	0.110
14	H	0.110

<r²>	187.632
(<r²>)^1/2	13.698

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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