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	hartrees
Energy at 0K	-305.956078
Energy at 298.15K	-305.965333
Nuclear repulsion energy	245.246249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3118	0.36
2	A₁	3162	3051	20.00
3	A₁	3033	2926	5.00
4	A₁	1693	1633	169.85
5	A₁	1576	1521	6.95
6	A₁	1529	1475	4.13
7	A₁	1469	1417	20.43
8	A₁	1209	1166	2.09
9	A₁	1118	1078	1.23
10	A₁	845	815	34.13
11	A₁	488	471	0.04
12	A₁	253	244	6.00
13	A₂	3086	2977	0.00
14	A₂	1552	1497	0.00
15	A₂	1164	1123	0.00
16	A₂	680	656	0.00
17	A₂	233	225	0.00
18	A₂	117	113	0.00
19	B₁	3086	2978	76.48
20	B₁	1551	1497	16.82
21	B₁	1169	1128	0.00
22	B₁	824	795	130.27
23	B₁	685	661	1.46
24	B₁	253	245	0.24
25	B₁	88	85	12.68
26	B₂	3307	3191	6.78
27	B₂	3162	3051	12.43
28	B₂	3033	2926	50.01
29	B₂	1572	1517	21.26
30	B₂	1515	1462	25.79
31	B₂	1336	1290	387.59
32	B₂	1196	1154	53.80
33	B₂	1044	1007	128.84
34	B₂	926	893	0.93
35	B₂	556	537	0.33
36	B₂	359	347	11.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.424
C2	0.000	0.000	0.085
H3	0.000	0.920	1.988
H4	0.000	-0.920	1.988
O5	0.000	1.097	-0.746
O6	0.000	-1.097	-0.746
C7	0.000	2.407	-0.107
C8	0.000	-2.407	-0.107
H9	0.000	3.124	-0.928
H10	0.000	-3.124	-0.928
H11	-0.893	2.547	0.513
H12	0.893	2.547	0.513
H13	0.893	-2.547	0.513
H14	-0.893	-2.547	0.513

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3398	1.0787	1.0787	2.4319	2.4319	2.8527	2.8527	3.9104	3.9104	2.8484	2.8484	2.8484	2.8484
C2	1.3398		2.1139	2.1139	1.3759	1.3759	2.4143	2.4143	3.2838	3.2838	2.7327	2.7327	2.7327	2.7327
H3	1.0787	2.1139		1.8396	2.7399	3.3973	2.5691	3.9313	3.6550	4.9852	2.3703	2.3703	3.8715	3.8715
H4	1.0787	2.1139	1.8396		3.3973	2.7399	3.9313	2.5691	4.9852	3.6550	3.8715	3.8715	2.3703	2.3703
O5	2.4319	1.3759	2.7399	3.3973		2.1933	1.4576	3.5612	2.0353	4.2244	2.1183	2.1183	3.9572	3.9572
O6	2.4319	1.3759	3.3973	2.7399	2.1933		3.5612	1.4576	4.2244	2.0353	3.9572	3.9572	2.1183	2.1183
C7	2.8527	2.4143	2.5691	3.9313	1.4576	3.5612		4.8134	1.0898	5.5911	1.0965	1.0965	5.0715	5.0715
C8	2.8527	2.4143	3.9313	2.5691	3.5612	1.4576	4.8134		5.5911	1.0898	5.0715	5.0715	1.0965	1.0965
H9	3.9104	3.2838	3.6550	4.9852	2.0353	4.2244	1.0898	5.5911		6.2476	1.7910	1.7910	5.9187	5.9187
H10	3.9104	3.2838	4.9852	3.6550	4.2244	2.0353	5.5911	1.0898	6.2476		5.9187	5.9187	1.7910	1.7910
H11	2.8484	2.7327	2.3703	3.8715	2.1183	3.9572	1.0965	5.0715	1.7910	5.9187		1.7859	5.3977	5.0936
H12	2.8484	2.7327	2.3703	3.8715	2.1183	3.9572	1.0965	5.0715	1.7910	5.9187	1.7859		5.0936	5.3977
H13	2.8484	2.7327	3.8715	2.3703	3.9572	2.1183	5.0715	1.0965	5.9187	1.7910	5.3977	5.0936		1.7859
H14	2.8484	2.7327	3.8715	2.3703	3.9572	2.1183	5.0715	1.0965	5.9187	1.7910	5.0936	5.3977	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.148	C1	C2	O6	127.148
C2	C1	H3	121.494	C2	C1	H4	121.494
C2	O5	C7	116.847	C2	O6	C8	116.847
H3	C1	H4	117.012	O5	C2	O6	105.703
O5	C7	H9	105.143	O5	C7	H11	111.288
O5	C7	H12	111.288	O6	C8	H10	105.143
O6	C8	H13	111.288	O6	C8	H14	111.288
H9	C7	H11	110.010	H9	C7	H12	110.010
H10	C8	H13	110.010	H10	C8	H14	110.010
H11	C7	H12	109.053	H13	C8	H14	109.053

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

using model chemistry: B3LYP/3-21G

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	ESP
1	C	-0.502	-0.880
2	C	0.598	0.735
3	H	0.181	0.247
4	H	0.181	0.247
5	O	-0.520	-0.416
6	O	-0.520	-0.416
7	C	-0.327	0.047
8	C	-0.327	0.047
9	H	0.221	0.094
10	H	0.221	0.094
11	H	0.199	0.049
12	H	0.199	0.050
13	H	0.199	0.050
14	H	0.199	0.049

	x	y	z	Total
	0.000	0.000	1.566	1.566
CHELPG
AIM
ESP	0.006	0.000	1.590	1.590

<r²>	192.358
(<r²>)^1/2	13.869

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

using model chemistry: B3LYP/3-21G

States and conformations

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