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	hartrees
Energy at 0K	-307.264945
Energy at 298.15K	-307.274137
Nuclear repulsion energy	247.645774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	3111	0.23
2	A₁	3097	3046	21.16
3	A₁	2956	2908	6.98
4	A₁	1672	1644	201.46
5	A₁	1493	1468	3.59
6	A₁	1455	1431	12.28
7	A₁	1392	1369	6.80
8	A₁	1200	1181	2.92
9	A₁	1151	1132	0.34
10	A₁	874	860	33.72
11	A₁	495	487	0.26
12	A₁	265	260	4.08
13	A₂	3017	2968	0.00
14	A₂	1465	1441	0.00
15	A₂	1147	1128	0.00
16	A₂	651	640	0.00
17	A₂	242	238	0.00
18	A₂	124	122	0.00
19	B₁	3018	2968	77.90
20	B₁	1465	1441	14.11
21	B₁	1153	1134	0.67
22	B₁	663	652	74.75
23	B₁	649	638	13.70
24	B₁	265	261	0.00
25	B₁	100	98	8.08
26	B₂	3241	3188	4.99
27	B₂	3097	3046	15.43
28	B₂	2956	2907	75.77
29	B₂	1488	1463	17.43
30	B₂	1460	1436	48.10
31	B₂	1316	1294	438.75
32	B₂	1185	1165	20.60
33	B₂	1051	1034	94.65
34	B₂	922	907	0.79
35	B₂	543	534	0.36
36	B₂	374	368	8.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.427
C2	0.000	0.000	0.073
H3	0.000	0.929	1.994
H4	0.000	-0.929	1.994
O5	0.000	1.086	-0.748
O6	0.000	-1.086	-0.748
C7	0.000	2.356	-0.106
C8	0.000	-2.356	-0.106
H9	0.000	3.100	-0.916
H10	0.000	-3.100	-0.916
H11	-0.901	2.489	0.522
H12	0.901	2.489	0.522
H13	0.901	-2.489	0.522
H14	-0.901	-2.489	0.522

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3539	1.0886	1.0886	2.4306	2.4306	2.8111	2.8111	3.8857	3.8857	2.7978	2.7978	2.7978	2.7978
C2	1.3539		2.1336	2.1336	1.3609	1.3609	2.3631	2.3631	3.2539	3.2539	2.6853	2.6853	2.6853	2.6853
H3	1.0886	2.1336		1.8588	2.7458	3.4022	2.5387	3.8993	3.6300	4.9700	2.3261	2.3261	3.8296	3.8296
H4	1.0886	2.1336	1.8588		3.4022	2.7458	3.8993	2.5387	4.9700	3.6300	3.8296	3.8296	2.3261	2.3261
O5	2.4306	1.3609	2.7458	3.4022		2.1710	1.4235	3.5011	2.0214	4.1888	2.0966	2.0966	3.8994	3.8994
O6	2.4306	1.3609	3.4022	2.7458	2.1710		3.5011	1.4235	4.1888	2.0214	3.8994	3.8994	2.0966	2.0966
C7	2.8111	2.3631	2.5387	3.8993	1.4235	3.5011		4.7125	1.0994	5.5160	1.1066	1.1066	4.9687	4.9687
C8	2.8111	2.3631	3.8993	2.5387	3.5011	1.4235	4.7125		5.5160	1.0994	4.9687	4.9687	1.1066	1.1066
H9	3.8857	3.2539	3.6300	4.9700	2.0214	4.1888	1.0994	5.5160		6.1999	1.8036	1.8036	5.8414	5.8414
H10	3.8857	3.2539	4.9700	3.6300	4.1888	2.0214	5.5160	1.0994	6.1999		5.8414	5.8414	1.8036	1.8036
H11	2.7978	2.6853	2.3261	3.8296	2.0966	3.8994	1.1066	4.9687	1.8036	5.8414		1.8021	5.2950	4.9789
H12	2.7978	2.6853	2.3261	3.8296	2.0966	3.8994	1.1066	4.9687	1.8036	5.8414	1.8021		4.9789	5.2950
H13	2.7978	2.6853	3.8296	2.3261	3.8994	2.0966	4.9687	1.1066	5.8414	1.8036	5.2950	4.9789		1.8021
H14	2.7978	2.6853	3.8296	2.3261	3.8994	2.0966	4.9687	1.1066	5.8414	1.8036	4.9789	5.2950	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.095	C1	C2	O6	127.095
C2	C1	H3	121.372	C2	C1	H4	121.372
C2	O5	C7	116.117	C2	O6	C8	116.117
H3	C1	H4	117.255	O5	C2	O6	105.810
O5	C7	H9	105.777	O5	C7	H11	111.308
O5	C7	H12	111.308	O6	C8	H10	105.777
O6	C8	H13	111.308	O6	C8	H14	111.308
H9	C7	H11	109.683	H9	C7	H12	109.683
H10	C8	H13	109.683	H10	C8	H14	109.683
H11	C7	H12	109.030	H13	C8	H14	109.030

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.520
2	C	0.582
3	H	0.148
4	H	0.148
5	O	-0.420
6	O	-0.420
7	C	-0.275
8	C	-0.275
9	H	0.181
10	H	0.181
11	H	0.167
12	H	0.167
13	H	0.167
14	H	0.167

<r²>	188.007
(<r²>)^1/2	13.712

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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