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	hartrees
Energy at 0K	-307.581945
Energy at 298.15K	-307.591155
HF Energy	-307.581945
Nuclear repulsion energy	248.164804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	3116	0.08
2	A₁	3090	3043	22.51
3	A₁	2961	2916	9.27
4	A₁	1637	1612	253.43
5	A₁	1482	1459	4.04
6	A₁	1453	1431	10.00
7	A₁	1393	1371	17.54
8	A₁	1200	1181	4.02
9	A₁	1125	1107	0.11
10	A₁	864	850	34.04
11	A₁	493	485	0.70
12	A₁	263	259	4.96
13	A₂	3020	2974	0.00
14	A₂	1460	1438	0.00
15	A₂	1148	1130	0.00
16	A₂	652	642	0.00
17	A₂	227	223	0.00
18	A₂	124	122	0.00
19	B₁	3021	2975	76.74
20	B₁	1460	1437	17.21
21	B₁	1152	1135	1.92
22	B₁	679	669	63.98
23	B₁	656	646	12.65
24	B₁	246	242	0.10
25	B₁	95	94	7.73
26	B₂	3245	3196	5.17
27	B₂	3090	3043	17.02
28	B₂	2960	2915	85.83
29	B₂	1475	1452	19.92
30	B₂	1454	1432	29.11
31	B₂	1286	1266	459.89
32	B₂	1189	1171	22.66
33	B₂	1025	1009	137.19
34	B₂	916	902	0.16
35	B₂	551	543	0.41
36	B₂	377	371	7.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.423
C2	0.000	0.000	0.075
H3	0.000	0.924	1.981
H4	0.000	-0.924	1.981
O5	0.000	1.083	-0.738
O6	0.000	-1.083	-0.738
C7	0.000	2.364	-0.111
C8	0.000	-2.364	-0.111
H9	0.000	3.091	-0.923
H10	0.000	-3.091	-0.923
H11	-0.896	2.497	0.509
H12	0.896	2.497	0.509
H13	0.896	-2.497	0.509
H14	-0.896	-2.497	0.509

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3476	1.0793	1.0793	2.4172	2.4172	2.8178	2.8178	3.8805	3.8805	2.8057	2.8057	2.8057	2.8057
C2	1.3476		2.1181	2.1181	1.3545	1.3545	2.3713	2.3713	3.2483	3.2483	2.6879	2.6879	2.6879	2.6879
H3	1.0793	2.1181		1.8472	2.7241	3.3797	2.5399	3.8968	3.6242	4.9552	2.3336	2.3336	3.8302	3.8302
H4	1.0793	2.1181	1.8472		3.3797	2.7241	3.8968	2.5399	4.9552	3.6242	3.8302	3.8302	2.3336	2.3336
O5	2.4172	1.3545	2.7241	3.3797		2.1664	1.4263	3.5039	2.0163	4.1783	2.0870	2.0870	3.8954	3.8954
O6	2.4172	1.3545	3.3797	2.7241	2.1664		3.5039	1.4263	4.1783	2.0163	3.8954	3.8954	2.0870	2.0870
C7	2.8178	2.3713	2.5399	3.8968	1.4263	3.5039		4.7281	1.0904	5.5153	1.0970	1.0970	4.9815	4.9815
C8	2.8178	2.3713	3.8968	2.5399	3.5039	1.4263	4.7281		5.5153	1.0904	4.9815	4.9815	1.0970	1.0970
H9	3.8805	3.2483	3.6242	4.9552	2.0163	4.1783	1.0904	5.5153		6.1820	1.7905	1.7905	5.8377	5.8377
H10	3.8805	3.2483	4.9552	3.6242	4.1783	2.0163	5.5153	1.0904	6.1820		5.8377	5.8377	1.7905	1.7905
H11	2.8057	2.6879	2.3336	3.8302	2.0870	3.8954	1.0970	4.9815	1.7905	5.8377		1.7911	5.3054	4.9940
H12	2.8057	2.6879	2.3336	3.8302	2.0870	3.8954	1.0970	4.9815	1.7905	5.8377	1.7911		4.9940	5.3054
H13	2.8057	2.6879	3.8302	2.3336	3.8954	2.0870	4.9815	1.0970	5.8377	1.7905	5.3054	4.9940		1.7911
H14	2.8057	2.6879	3.8302	2.3336	3.8954	2.0870	4.9815	1.0970	5.8377	1.7905	4.9940	5.3054	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.900	C1	C2	O6	126.900
C2	C1	H3	121.164	C2	C1	H4	121.164
C2	O5	C7	117.000	C2	O6	C8	117.000
H3	C1	H4	117.673	O5	C2	O6	106.201
O5	C7	H9	105.713	O5	C7	H11	110.930
O5	C7	H12	110.930	O6	C8	H10	105.713
O6	C8	H13	110.930	O6	C8	H14	110.930
H9	C7	H11	109.882	H9	C7	H12	109.882
H10	C8	H13	109.882	H10	C8	H14	109.882
H11	C7	H12	109.447	H13	C8	H14	109.447

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

using model chemistry: B97D3/aug-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	-0.649
2	C	0.674
3	H	0.196
4	H	0.196
5	O	-0.341
6	O	-0.341
7	C	-0.364
8	C	-0.364
9	H	0.058
10	H	0.058
11	H	0.219
12	H	0.219
13	H	0.219
14	H	0.219

<r²>	188.507
(<r²>)^1/2	13.730

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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