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	hartrees
Energy at 0K	-307.264953
Energy at 298.15K	-307.274163
Nuclear repulsion energy	247.646211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3120	0.24
2	A₁	3097	3053	21.20
3	A₁	2956	2914	6.97
4	A₁	1674	1650	201.54
5	A₁	1493	1472	3.48
6	A₁	1457	1436	11.70
7	A₁	1395	1375	7.49
8	A₁	1202	1184	2.89
9	A₁	1151	1134	0.33
10	A₁	874	862	33.73
11	A₁	496	489	0.26
12	A₁	266	262	4.12
13	A₂	3017	2974	0.00
14	A₂	1466	1445	0.00
15	A₂	1147	1131	0.00
16	A₂	653	644	0.00
17	A₂	243	240	0.00
18	A₂	125	123	0.00
19	B₁	3018	2975	78.01
20	B₁	1465	1444	14.04
21	B₁	1153	1137	0.65
22	B₁	664	655	77.88
23	B₁	650	640	10.65
24	B₁	268	264	0.00
25	B₁	100	98	8.07
26	B₂	3244	3197	4.97
27	B₂	3097	3052	15.43
28	B₂	2956	2913	75.89
29	B₂	1488	1467	17.48
30	B₂	1461	1440	47.22
31	B₂	1316	1298	439.69
32	B₂	1186	1169	20.31
33	B₂	1051	1036	95.10
34	B₂	927	913	0.66
35	B₂	546	538	0.35
36	B₂	378	373	8.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.427
C2	0.000	0.000	0.074
H3	0.000	0.930	1.994
H4	0.000	-0.930	1.994
O5	0.000	1.085	-0.748
O6	0.000	-1.085	-0.748
C7	0.000	2.356	-0.107
C8	0.000	-2.356	-0.107
H9	0.000	3.099	-0.917
H10	0.000	-3.099	-0.917
H11	-0.901	2.490	0.521
H12	0.901	2.490	0.521
H13	0.901	-2.490	0.521
H14	-0.901	-2.490	0.521

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3538	1.0886	1.0886	2.4307	2.4307	2.8118	2.8118	3.8863	3.8863	2.7988	2.7988	2.7988	2.7988
C2	1.3538		2.1335	2.1335	1.3609	1.3609	2.3632	2.3632	3.2539	3.2539	2.6856	2.6856	2.6856	2.6856
H3	1.0886	2.1335		1.8591	2.7460	3.4022	2.5395	3.9000	3.6308	4.9706	2.3272	2.3272	3.8307	3.8307
H4	1.0886	2.1335	1.8591		3.4022	2.7460	3.9000	2.5395	4.9706	3.6308	3.8307	3.8307	2.3272	2.3272
O5	2.4307	1.3609	2.7460	3.4022		2.1704	1.4234	3.5006	2.0214	4.1881	2.0966	2.0966	3.8993	3.8993
O6	2.4307	1.3609	3.4022	2.7460	2.1704		3.5006	1.4234	4.1881	2.0214	3.8993	3.8993	2.0966	2.0966
C7	2.8118	2.3632	2.5395	3.9000	1.4234	3.5006		4.7126	1.0994	5.5156	1.1066	1.1066	4.9693	4.9693
C8	2.8118	2.3632	3.9000	2.5395	3.5006	1.4234	4.7126		5.5156	1.0994	4.9693	4.9693	1.1066	1.1066
H9	3.8863	3.2539	3.6308	4.9706	2.0214	4.1881	1.0994	5.5156		6.1989	1.8035	1.8035	5.8415	5.8415
H10	3.8863	3.2539	4.9706	3.6308	4.1881	2.0214	5.5156	1.0994	6.1989		5.8415	5.8415	1.8035	1.8035
H11	2.7988	2.6856	2.3272	3.8307	2.0966	3.8993	1.1066	4.9693	1.8035	5.8415		1.8022	5.2961	4.9801
H12	2.7988	2.6856	2.3272	3.8307	2.0966	3.8993	1.1066	4.9693	1.8035	5.8415	1.8022		4.9801	5.2961
H13	2.7988	2.6856	3.8307	2.3272	3.8993	2.0966	4.9693	1.1066	5.8415	1.8035	5.2961	4.9801		1.8022
H14	2.7988	2.6856	3.8307	2.3272	3.8993	2.0966	4.9693	1.1066	5.8415	1.8035	4.9801	5.2961	1.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.114	C1	C2	O6	127.114
C2	C1	H3	121.363	C2	C1	H4	121.363
C2	O5	C7	116.136	C2	O6	C8	116.136
H3	C1	H4	117.275	O5	C2	O6	105.772
O5	C7	H9	105.777	O5	C7	H11	111.312
O5	C7	H12	111.312	O6	C8	H10	105.777
O6	C8	H13	111.312	O6	C8	H14	111.312
H9	C7	H11	109.676	H9	C7	H12	109.676
H10	C8	H13	109.676	H10	C8	H14	109.676
H11	C7	H12	109.037	H13	C8	H14	109.037

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

using model chemistry: PBEPBE/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>	188.014
(<r²>)^1/2	13.712

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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