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	hartrees
Energy at 0K	-305.839015
Energy at 298.15K	-305.848029
Nuclear repulsion energy	242.809268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3132	0.01
2	A₁	3078	3061	22.75
3	A₁	2949	2932	6.06
4	A₁	1628	1619	139.07
5	A₁	1536	1528	6.58
6	A₁	1487	1479	2.92
7	A₁	1424	1416	21.01
8	A₁	1166	1160	1.35
9	A₁	1053	1048	1.65
10	A₁	804	799	26.50
11	A₁	470	467	0.06
12	A₁	245	244	5.28
13	A₂	2997	2980	0.00
14	A₂	1510	1501	0.00
15	A₂	1121	1115	0.00
16	A₂	650	646	0.00
17	A₂	223	222	0.00
18	A₂	100	100	0.00
19	B₁	2998	2981	87.99
20	B₁	1510	1501	14.15
21	B₁	1127	1121	0.09
22	B₁	758	754	113.22
23	B₁	650	646	0.80
24	B₁	244	243	0.19
25	B₁	84	84	11.05
26	B₂	3222	3205	8.70
27	B₂	3078	3061	13.63
28	B₂	2948	2932	61.64
29	B₂	1533	1524	24.45
30	B₂	1467	1458	9.57
31	B₂	1269	1262	321.33
32	B₂	1152	1145	67.98
33	B₂	989	984	150.12
34	B₂	879	874	1.70
35	B₂	536	533	0.52
36	B₂	349	347	11.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.439
C2	0.000	0.000	0.088
H3	0.000	0.926	2.007
H4	0.000	-0.926	2.007
O5	0.000	1.105	-0.762
O6	0.000	-1.105	-0.762
C7	0.000	2.426	-0.102
C8	0.000	-2.426	-0.102
H9	0.000	3.150	-0.927
H10	0.000	-3.150	-0.927
H11	-0.900	2.564	0.523
H12	0.900	2.564	0.523
H13	0.900	-2.564	0.523
H14	-0.900	-2.564	0.523

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3510	1.0859	1.0859	2.4631	2.4631	2.8749	2.8749	3.9401	3.9401	2.8676	2.8676	2.8676	2.8676
C2	1.3510		2.1303	2.1303	1.3943	1.3943	2.4340	2.4340	3.3097	3.3097	2.7519	2.7519	2.7519	2.7519
H3	1.0859	2.1303		1.8516	2.7747	3.4338	2.5887	3.9607	3.6821	5.0222	2.3864	2.3864	3.8974	3.8974
H4	1.0859	2.1303	1.8516		3.4338	2.7747	3.9607	2.5887	5.0222	3.6821	3.8974	3.8974	2.3864	2.3864
O5	2.4631	1.3943	2.7747	3.4338		2.2101	1.4769	3.5925	2.0516	4.2582	2.1423	2.1423	3.9904	3.9904
O6	2.4631	1.3943	3.4338	2.7747	2.2101		3.5925	1.4769	4.2582	2.0516	3.9904	3.9904	2.1423	2.1423
C7	2.8749	2.4340	2.5887	3.9607	1.4769	3.5925		4.8529	1.0974	5.6371	1.1043	1.1043	5.1094	5.1094
C8	2.8749	2.4340	3.9607	2.5887	3.5925	1.4769	4.8529		5.6371	1.0974	5.1094	5.1094	1.1043	1.1043
H9	3.9401	3.3097	3.6821	5.0222	2.0516	4.2582	1.0974	5.6371		6.2999	1.8047	1.8047	5.9635	5.9635
H10	3.9401	3.3097	5.0222	3.6821	4.2582	2.0516	5.6371	1.0974	6.2999		5.9635	5.9635	1.8047	1.8047
H11	2.8676	2.7519	2.3864	3.8974	2.1423	3.9904	1.1043	5.1094	1.8047	5.9635		1.7991	5.4346	5.1282
H12	2.8676	2.7519	2.3864	3.8974	2.1423	3.9904	1.1043	5.1094	1.8047	5.9635	1.7991		5.1282	5.4346
H13	2.8676	2.7519	3.8974	2.3864	3.9904	2.1423	5.1094	1.1043	5.9635	1.8047	5.4346	5.1282		1.7991
H14	2.8676	2.7519	3.8974	2.3864	3.9904	2.1423	5.1094	1.1043	5.9635	1.8047	5.1282	5.4346	1.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.578	C1	C2	O6	127.578
C2	C1	H3	121.510	C2	C1	H4	121.510
C2	O5	C7	115.899	C2	O6	C8	115.899
H3	C1	H4	116.980	O5	C2	O6	104.844
O5	C7	H9	104.723	O5	C7	H11	111.376
O5	C7	H12	111.376	O6	C8	H10	104.723
O6	C8	H13	111.376	O6	C8	H14	111.376
H9	C7	H11	110.108	H9	C7	H12	110.108
H10	C8	H13	110.108	H10	C8	H14	110.108
H11	C7	H12	109.090	H13	C8	H14	109.090

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

using model chemistry: BLYP/3-21G

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	-0.465
2	C	0.527
3	H	0.164
4	H	0.164
5	O	-0.462
6	O	-0.462
7	C	-0.319
8	C	-0.319
9	H	0.208
10	H	0.208
11	H	0.189
12	H	0.189
13	H	0.189
14	H	0.189

<r²>	195.441
(<r²>)^1/2	13.980

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

using model chemistry: BLYP/3-21G

States and conformations

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