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	hartrees
Energy at 0K	-305.922690
Energy at 298.15K	-305.932452
Nuclear repulsion energy	251.895634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3351	3045	1.38
2	A₁	3277	2978	34.30
3	A₁	3170	2880	8.46
4	A₁	1797	1633	399.31
5	A₁	1636	1487	6.04
6	A₁	1617	1469	13.84
7	A₁	1545	1404	45.21
8	A₁	1345	1222	5.76
9	A₁	1298	1180	0.39
10	A₁	968	880	45.60
11	A₁	540	490	0.69
12	A₁	284	258	6.11
13	A₂	3230	2934	0.00
14	A₂	1622	1473	0.00
15	A₂	1288	1171	0.00
16	A₂	744	676	0.00
17	A₂	253	230	0.00
18	A₂	148	135	0.00
19	B₁	3230	2935	77.34
20	B₁	1621	1473	17.13
21	B₁	1291	1173	5.63
22	B₁	849	771	103.91
23	B₁	763	694	3.45
24	B₁	267	243	0.41
25	B₁	103	94	10.28
26	B₂	3433	3120	6.86
27	B₂	3277	2977	26.01
28	B₂	3169	2879	71.13
29	B₂	1631	1482	42.23
30	B₂	1627	1478	34.22
31	B₂	1484	1349	599.30
32	B₂	1334	1212	7.56
33	B₂	1168	1062	154.91
34	B₂	1029	935	0.00
35	B₂	607	552	0.01
36	B₂	401	365	6.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.414
C2	0.000	0.000	0.084
H3	0.000	0.913	1.966
H4	0.000	-0.913	1.966
O5	0.000	1.064	-0.702
O6	0.000	-1.064	-0.702
C7	0.000	2.342	-0.136
C8	0.000	-2.342	-0.136
H9	0.000	3.036	-0.961
H10	0.000	-3.036	-0.961
H11	-0.885	2.501	0.468
H12	0.885	2.501	0.468
H13	0.885	-2.501	0.468
H14	-0.885	-2.501	0.468

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3291	1.0673	1.0673	2.3685	2.3685	2.8084	2.8084	3.8545	3.8545	2.8160	2.8160	2.8160	2.8160
C2	1.3291		2.0912	2.0912	1.3234	1.3234	2.3524	2.3524	3.2112	3.2112	2.6802	2.6802	2.6802	2.6802
H3	1.0673	2.0912		1.8270	2.6722	3.3210	2.5412	3.8750	3.6154	4.9158	2.3545	2.3545	3.8316	3.8316
H4	1.0673	2.0912	1.8270		3.3210	2.6722	3.8750	2.5412	4.9158	3.6154	3.8316	3.8316	2.3545	2.3545
O5	2.3685	1.3234	2.6722	3.3210		2.1282	1.3978	3.4529	1.9891	4.1085	2.0535	2.0535	3.8550	3.8550
O6	2.3685	1.3234	3.3210	2.6722	2.1282		3.4529	1.3978	4.1085	1.9891	3.8550	3.8550	2.0535	2.0535
C7	2.8084	2.3524	2.5412	3.8750	1.3978	3.4529		4.6841	1.0781	5.4412	1.0830	1.0830	4.9599	4.9599
C8	2.8084	2.3524	3.8750	2.5412	3.4529	1.3978	4.6841		5.4412	1.0781	4.9599	4.9599	1.0830	1.0830
H9	3.8545	3.2112	3.6154	4.9158	1.9891	4.1085	1.0781	5.4412		6.0726	1.7641	1.7641	5.7866	5.7866
H10	3.8545	3.2112	4.9158	3.6154	4.1085	1.9891	5.4412	1.0781	6.0726		5.7866	5.7866	1.7641	1.7641
H11	2.8160	2.6802	2.3545	3.8316	2.0535	3.8550	1.0830	4.9599	1.7641	5.7866		1.7691	5.3052	5.0016
H12	2.8160	2.6802	2.3545	3.8316	2.0535	3.8550	1.0830	4.9599	1.7641	5.7866	1.7691		5.0016	5.3052
H13	2.8160	2.6802	3.8316	2.3545	3.8550	2.0535	4.9599	1.0830	5.7866	1.7641	5.3052	5.0016		1.7691
H14	2.8160	2.6802	3.8316	2.3545	3.8550	2.0535	4.9599	1.0830	5.7866	1.7641	5.0016	5.3052	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.480	C1	C2	O6	126.480
C2	C1	H3	121.143	C2	C1	H4	121.143
C2	O5	C7	119.622	C2	O6	C8	119.622
H3	C1	H4	117.714	O5	C2	O6	107.039
O5	C7	H9	106.187	O5	C7	H11	111.104
O5	C7	H12	111.104	O6	C8	H10	106.187
O6	C8	H13	111.104	O6	C8	H14	111.104
H9	C7	H11	109.429	H9	C7	H12	109.429
H10	C8	H13	109.429	H10	C8	H14	109.429
H11	C7	H12	109.518	H13	C8	H14	109.518

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.388
2	C	1.030
3	H	0.137
4	H	0.137
5	O	-0.849
6	O	-0.849
7	C	0.006
8	C	0.006
9	H	0.116
10	H	0.116
11	H	0.135
12	H	0.135
13	H	0.135
14	H	0.135

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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