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	hartrees
Energy at 0K	-305.842080
Energy at 298.15K	-305.851843
Nuclear repulsion energy	251.729627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3366	3048	0.92
2	A₁	3286	2975	38.72
3	A₁	3175	2875	5.61
4	A₁	1834	1661	338.50
5	A₁	1638	1483	3.69
6	A₁	1618	1465	9.16
7	A₁	1550	1404	28.88
8	A₁	1345	1218	7.90
9	A₁	1301	1178	0.04
10	A₁	969	878	47.63
11	A₁	539	488	0.38
12	A₁	285	258	5.45
13	A₂	3242	2936	0.00
14	A₂	1619	1466	0.00
15	A₂	1288	1166	0.00
16	A₂	750	680	0.00
17	A₂	259	235	0.00
18	A₂	142	129	0.00
19	B₁	3243	2936	86.10
20	B₁	1619	1466	11.04
21	B₁	1291	1169	5.89
22	B₁	858	777	98.55
23	B₁	770	697	0.05
24	B₁	276	250	0.21
25	B₁	101	92	10.25
26	B₂	3448	3122	8.29
27	B₂	3285	2975	25.19
28	B₂	3174	2874	63.90
29	B₂	1633	1479	12.16
30	B₂	1628	1474	56.32
31	B₂	1484	1344	581.45
32	B₂	1335	1208	7.60
33	B₂	1172	1061	144.91
34	B₂	1029	932	0.01
35	B₂	606	548	0.01
36	B₂	403	365	7.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.413
C2	0.000	0.000	0.087
H3	0.000	0.914	1.967
H4	0.000	-0.914	1.967
O5	0.000	1.064	-0.706
O6	0.000	-1.064	-0.706
C7	0.000	2.340	-0.135
C8	0.000	-2.340	-0.135
H9	0.000	3.041	-0.958
H10	0.000	-3.041	-0.958
H11	-0.885	2.498	0.473
H12	0.885	2.498	0.473
H13	0.885	-2.498	0.473
H14	-0.885	-2.498	0.473

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3260	1.0689	1.0689	2.3714	2.3714	2.8058	2.8058	3.8557	3.8557	2.8121	2.8121	2.8121	2.8121
C2	1.3260		2.0907	2.0907	1.3274	1.3274	2.3509	2.3509	3.2152	3.2152	2.6783	2.6783	2.6783	2.6783
H3	1.0689	2.0907		1.8277	2.6778	3.3258	2.5404	3.8741	3.6168	4.9189	2.3510	2.3510	3.8287	3.8287
H4	1.0689	2.0907	1.8277		3.3258	2.6778	3.8741	2.5404	4.9189	3.6168	3.8287	3.8287	2.3510	2.3510
O5	2.3714	1.3274	2.6778	3.3258		2.1287	1.3982	3.4524	1.9922	4.1127	2.0566	2.0566	3.8556	3.8556
O6	2.3714	1.3274	3.3258	2.6778	2.1287		3.4524	1.3982	4.1127	1.9922	3.8556	3.8556	2.0566	2.0566
C7	2.8058	2.3509	2.5404	3.8741	1.3982	3.4524		4.6809	1.0808	5.4437	1.0852	1.0852	4.9563	4.9563
C8	2.8058	2.3509	3.8741	2.5404	3.4524	1.3982	4.6809		5.4437	1.0808	4.9563	4.9563	1.0852	1.0852
H9	3.8557	3.2152	3.6168	4.9189	1.9922	4.1127	1.0808	5.4437		6.0812	1.7679	1.7679	5.7887	5.7887
H10	3.8557	3.2152	4.9189	3.6168	4.1127	1.9922	5.4437	1.0808	6.0812		5.7887	5.7887	1.7679	1.7679
H11	2.8121	2.6783	2.3510	3.8287	2.0566	3.8556	1.0852	4.9563	1.7679	5.7887		1.7706	5.3008	4.9963
H12	2.8121	2.6783	2.3510	3.8287	2.0566	3.8556	1.0852	4.9563	1.7679	5.7887	1.7706		4.9963	5.3008
H13	2.8121	2.6783	3.8287	2.3510	3.8556	2.0566	4.9563	1.0852	5.7887	1.7679	5.3008	4.9963		1.7706
H14	2.8121	2.6783	3.8287	2.3510	3.8556	2.0566	4.9563	1.0852	5.7887	1.7679	4.9963	5.3008	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.692	C1	C2	O6	126.692
C2	C1	H3	121.245	C2	C1	H4	121.245
C2	O5	C7	119.182	C2	O6	C8	119.182
H3	C1	H4	117.511	O5	C2	O6	106.616
O5	C7	H9	106.249	O5	C7	H11	111.190
O5	C7	H12	111.190	O6	C8	H10	106.249
O6	C8	H13	111.190	O6	C8	H14	111.190
H9	C7	H11	109.413	H9	C7	H12	109.413
H10	C8	H13	109.413	H10	C8	H14	109.413
H11	C7	H12	109.323	H13	C8	H14	109.323

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

using model chemistry: HF/6-31G(2df,p)

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	-0.651
2	C	0.712
3	H	0.145
4	H	0.145
5	O	-0.426
6	O	-0.426
7	C	-0.194
8	C	-0.194
9	H	0.160
10	H	0.160
11	H	0.142
12	H	0.142
13	H	0.142
14	H	0.142

<r²>	184.308
(<r²>)^1/2	13.576

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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