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	hartrees
Energy at 0K	-307.595592
Energy at 298.15K	-307.605024
Nuclear repulsion energy	249.715282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3089	0.18
2	A₁	3159	3041	26.92
3	A₁	3024	2911	8.24
4	A₁	1705	1641	268.17
5	A₁	1527	1470	6.21
6	A₁	1499	1443	14.16
7	A₁	1430	1376	10.41
8	A₁	1243	1197	3.22
9	A₁	1192	1148	0.27
10	A₁	902	869	42.74
11	A₁	508	489	0.57
12	A₁	270	260	4.72
13	A₂	3088	2973	0.00
14	A₂	1506	1450	0.00
15	A₂	1188	1144	0.00
16	A₂	676	651	0.00
17	A₂	255	246	0.00
18	A₂	136	131	0.00
19	B₁	3089	2974	86.40
20	B₁	1506	1449	19.91
21	B₁	1192	1148	1.22
22	B₁	720	693	96.94
23	B₁	683	658	10.22
24	B₁	277	267	0.04
25	B₁	103	99	9.45
26	B₂	3290	3167	6.26
27	B₂	3159	3041	17.94
28	B₂	3023	2910	72.35
29	B₂	1523	1466	16.33
30	B₂	1503	1447	60.78
31	B₂	1360	1309	495.90
32	B₂	1228	1182	14.59
33	B₂	1084	1044	102.87
34	B₂	953	917	1.00
35	B₂	564	543	0.31
36	B₂	383	368	7.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.415
C2	0.000	0.000	0.073
H3	0.000	0.921	1.979
H4	0.000	-0.921	1.979
O5	0.000	1.077	-0.732
O6	0.000	-1.077	-0.732
C7	0.000	2.345	-0.113
C8	0.000	-2.345	-0.113
H9	0.000	3.073	-0.923
H10	0.000	-3.073	-0.923
H11	-0.894	2.485	0.505
H12	0.894	2.485	0.505
H13	0.894	-2.485	0.505
H14	-0.894	-2.485	0.505

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3418	1.0799	1.0799	2.4020	2.4020	2.7991	2.7991	3.8611	3.8611	2.7935	2.7935	2.7935	2.7935
C2	1.3418		2.1167	2.1167	1.3447	1.3447	2.3527	2.3527	3.2302	3.2302	2.6762	2.6762	2.6762	2.6762
H3	1.0799	2.1167		1.8418	2.7157	3.3677	2.5309	3.8787	3.6129	4.9367	2.3279	2.3279	3.8176	3.8176
H4	1.0799	2.1167	1.8418		3.3677	2.7157	3.8787	2.5309	4.9367	3.6129	3.8176	3.8176	2.3279	2.3279
O5	2.4020	1.3447	2.7157	3.3677		2.1537	1.4115	3.4777	2.0049	4.1539	2.0767	2.0767	3.8753	3.8753
O6	2.4020	1.3447	3.3677	2.7157	2.1537		3.4777	1.4115	4.1539	2.0049	3.8753	3.8753	2.0767	2.0767
C7	2.7991	2.3527	2.5309	3.8787	1.4115	3.4777		4.6906	1.0888	5.4782	1.0955	1.0955	4.9513	4.9513
C8	2.7991	2.3527	3.8787	2.5309	3.4777	1.4115	4.6906		5.4782	1.0888	4.9513	4.9513	1.0955	1.0955
H9	3.8611	3.2302	3.6129	4.9367	2.0049	4.1539	1.0888	5.4782		6.1453	1.7841	1.7841	5.8077	5.8077
H10	3.8611	3.2302	4.9367	3.6129	4.1539	2.0049	5.4782	1.0888	6.1453		5.8077	5.8077	1.7841	1.7841
H11	2.7935	2.6762	2.3279	3.8176	2.0767	3.8753	1.0955	4.9513	1.7841	5.8077		1.7873	5.2822	4.9706
H12	2.7935	2.6762	2.3279	3.8176	2.0767	3.8753	1.0955	4.9513	1.7841	5.8077	1.7873		4.9706	5.2822
H13	2.7935	2.6762	3.8176	2.3279	3.8753	2.0767	4.9513	1.0955	5.8077	1.7841	5.2822	4.9706		1.7873
H14	2.7935	2.6762	3.8176	2.3279	3.8753	2.0767	4.9513	1.0955	5.8077	1.7841	4.9706	5.2822	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.791	C1	C2	O6	126.791
C2	C1	H3	121.488	C2	C1	H4	121.488
C2	O5	C7	117.190	C2	O6	C8	117.190
H3	C1	H4	117.024	O5	C2	O6	106.417
O5	C7	H9	105.898	O5	C7	H11	111.242
O5	C7	H12	111.242	O6	C8	H10	105.898
O6	C8	H13	111.242	O6	C8	H14	111.242
H9	C7	H11	109.531	H9	C7	H12	109.531
H10	C8	H13	109.531	H10	C8	H14	109.531
H11	C7	H12	109.329	H13	C8	H14	109.329

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

using model chemistry: B3PW91/6-311G*

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	-0.703
2	C	0.471
3	H	0.229
4	H	0.229
5	O	-0.301
6	O	-0.301
7	C	-0.499
8	C	-0.499
9	H	0.238
10	H	0.238
11	H	0.224
12	H	0.224
13	H	0.224
14	H	0.224

<r²>	186.001
(<r²>)^1/2	13.638

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

using model chemistry: B3PW91/6-311G*

States and conformations

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