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	hartrees
Energy at 0K	-305.929752
Energy at 298.15K	-305.939519
Nuclear repulsion energy	251.730852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3354	3053	1.27
2	A₁	3277	2984	34.55
3	A₁	3170	2886	8.85
4	A₁	1798	1637	397.33
5	A₁	1635	1489	6.07
6	A₁	1615	1470	12.00
7	A₁	1544	1406	45.51
8	A₁	1342	1222	5.89
9	A₁	1295	1179	0.35
10	A₁	967	880	46.05
11	A₁	538	490	0.70
12	A₁	283	258	6.02
13	A₂	3230	2940	0.00
14	A₂	1620	1475	0.00
15	A₂	1285	1170	0.00
16	A₂	745	678	0.00
17	A₂	252	230	0.00
18	A₂	149	135	0.00
19	B₁	3230	2941	77.98
20	B₁	1620	1475	16.58
21	B₁	1287	1172	5.61
22	B₁	853	777	101.99
23	B₁	764	696	3.46
24	B₁	266	242	0.40
25	B₁	104	94	10.18
26	B₂	3435	3128	6.94
27	B₂	3277	2983	25.92
28	B₂	3170	2886	71.21
29	B₂	1630	1484	36.49
30	B₂	1624	1479	38.21
31	B₂	1482	1349	596.58
32	B₂	1331	1212	7.94
33	B₂	1166	1062	155.73
34	B₂	1027	935	0.01
35	B₂	607	552	0.01
36	B₂	401	365	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.413
C2	0.000	0.000	0.084
H3	0.000	0.914	1.965
H4	0.000	-0.914	1.965
O5	0.000	1.065	-0.704
O6	0.000	-1.065	-0.704
C7	0.000	2.344	-0.135
C8	0.000	-2.344	-0.135
H9	0.000	3.039	-0.959
H10	0.000	-3.039	-0.959
H11	-0.884	2.502	0.470
H12	0.884	2.502	0.470
H13	0.884	-2.502	0.470
H14	-0.884	-2.502	0.470

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3290	1.0671	1.0671	2.3700	2.3700	2.8090	2.8090	3.8551	3.8551	2.8161	2.8161	2.8161	2.8161
C2	1.3290		2.0905	2.0905	1.3251	1.3251	2.3541	2.3541	3.2127	3.2127	2.6811	2.6811	2.6811	2.6811
H3	1.0671	2.0905		1.8273	2.6727	3.3221	2.5403	3.8754	3.6143	4.9161	2.3534	2.3534	3.8315	3.8315
H4	1.0671	2.0905	1.8273		3.3221	2.6727	3.8754	2.5403	4.9161	3.6143	3.8315	3.8315	2.3534	2.3534
O5	2.3700	1.3251	2.6727	3.3221		2.1305	1.3994	3.4562	1.9898	4.1118	2.0548	2.0548	3.8576	3.8576
O6	2.3700	1.3251	3.3221	2.6727	2.1305		3.4562	1.3994	4.1118	1.9898	3.8576	3.8576	2.0548	2.0548
C7	2.8090	2.3541	2.5403	3.8754	1.3994	3.4562		4.6877	1.0780	5.4452	1.0829	1.0829	4.9624	4.9624
C8	2.8090	2.3541	3.8754	2.5403	3.4562	1.3994	4.6877		5.4452	1.0780	4.9624	4.9624	1.0829	1.0829
H9	3.8551	3.2127	3.6143	4.9161	1.9898	4.1118	1.0780	5.4452		6.0772	1.7641	1.7641	5.7894	5.7894
H10	3.8551	3.2127	4.9161	3.6143	4.1118	1.9898	5.4452	1.0780	6.0772		5.7894	5.7894	1.7641	1.7641
H11	2.8161	2.6811	2.3534	3.8315	2.0548	3.8576	1.0829	4.9624	1.7641	5.7894		1.7689	5.3066	5.0031
H12	2.8161	2.6811	2.3534	3.8315	2.0548	3.8576	1.0829	4.9624	1.7641	5.7894	1.7689		5.0031	5.3066
H13	2.8161	2.6811	3.8315	2.3534	3.8576	2.0548	4.9624	1.0829	5.7894	1.7641	5.3066	5.0031		1.7689
H14	2.8161	2.6811	3.8315	2.3534	3.8576	2.0548	4.9624	1.0829	5.7894	1.7641	5.0031	5.3066	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.495	C1	C2	O6	126.495
C2	C1	H3	121.104	C2	C1	H4	121.104
C2	O5	C7	119.519	C2	O6	C8	119.519
H3	C1	H4	117.791	O5	C2	O6	107.011
O5	C7	H9	106.141	O5	C7	H11	111.102
O5	C7	H12	111.102	O6	C8	H10	106.141
O6	C8	H13	111.102	O6	C8	H14	111.102
H9	C7	H11	109.450	H9	C7	H12	109.450
H10	C8	H13	109.450	H10	C8	H14	109.450
H11	C7	H12	109.527	H13	C8	H14	109.527

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

using model chemistry: HF/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	-1.015
2	C	0.604
3	H	0.433
4	H	0.433
5	O	-0.424
6	O	-0.424
7	C	-0.853
8	C	-0.853
9	H	0.312
10	H	0.312
11	H	0.368
12	H	0.368
13	H	0.368
14	H	0.368

<r²>	184.877
(<r²>)^1/2	13.597

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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