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	hartrees
Energy at 0K	-307.570290
Energy at 298.15K	-307.579454
Nuclear repulsion energy	245.593336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	3133	0.20
2	A₁	3074	3069	19.62
3	A₁	2939	2933	8.57
4	A₁	1617	1614	245.28
5	A₁	1449	1446	3.27
6	A₁	1419	1417	7.99
7	A₁	1371	1369	17.61
8	A₁	1175	1173	4.31
9	A₁	1094	1092	0.34
10	A₁	845	843	33.64
11	A₁	481	480	0.76
12	A₁	259	259	4.93
13	A₂	3001	2996	0.00
14	A₂	1427	1424	0.00
15	A₂	1122	1120	0.00
16	A₂	640	638	0.00
17	A₂	234	233	0.00
18	A₂	124	124	0.00
19	B₁	3002	2996	70.64
20	B₁	1427	1424	17.10
21	B₁	1127	1125	1.70
22	B₁	687	686	75.04
23	B₁	640	638	0.01
24	B₁	253	252	0.17
25	B₁	103	102	8.06
26	B₂	3223	3217	4.80
27	B₂	3074	3069	14.48
28	B₂	2938	2933	81.11
29	B₂	1439	1436	22.40
30	B₂	1417	1414	23.36
31	B₂	1254	1252	420.28
32	B₂	1164	1162	27.25
33	B₂	999	997	131.96
34	B₂	893	891	0.08
35	B₂	544	543	0.54
36	B₂	370	370	6.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.442
C2	0.000	0.000	0.083
H3	0.000	0.931	2.009
H4	0.000	-0.931	2.009
O5	0.000	1.091	-0.744
O6	0.000	-1.091	-0.744
C7	0.000	2.389	-0.116
C8	0.000	-2.389	-0.116
H9	0.000	3.113	-0.945
H10	0.000	-3.113	-0.945
H11	-0.906	2.527	0.506
H12	0.906	2.527	0.506
H13	0.906	-2.527	0.506
H14	-0.906	-2.527	0.506

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3596	1.0903	1.0903	2.4438	2.4438	2.8527	2.8527	3.9235	3.9235	2.8427	2.8427	2.8427	2.8427
C2	1.3596		2.1398	2.1398	1.3692	1.3692	2.3977	2.3977	3.2787	3.2787	2.7173	2.7173	2.7173	2.7173
H3	1.0903	2.1398		1.8624	2.7583	3.4165	2.5775	3.9426	3.6731	5.0088	2.3718	2.3718	3.8777	3.8777
H4	1.0903	2.1398	1.8624		3.4165	2.7583	3.9426	2.5775	5.0088	3.6731	3.8777	3.8777	2.3718	2.3718
O5	2.4438	1.3692	2.7583	3.4165		2.1823	1.4424	3.5368	2.0322	4.2093	2.1083	2.1083	3.9335	3.9335
O6	2.4438	1.3692	3.4165	2.7583	2.1823		3.5368	1.4424	4.2093	2.0322	3.9335	3.9335	2.1083	2.1083
C7	2.8527	2.3977	2.5775	3.9426	1.4424	3.5368		4.7789	1.1008	5.5649	1.1073	1.1073	5.0375	5.0375
C8	2.8527	2.3977	3.9426	2.5775	3.5368	1.4424	4.7789		5.5649	1.1008	5.0375	5.0375	1.1073	1.1073
H9	3.9235	3.2787	3.6731	5.0088	2.0322	4.2093	1.1008	5.5649		6.2267	1.8086	1.8086	5.8938	5.8938
H10	3.9235	3.2787	5.0088	3.6731	4.2093	2.0322	5.5649	1.1008	6.2267		5.8938	5.8938	1.8086	1.8086
H11	2.8427	2.7173	2.3718	3.8777	2.1083	3.9335	1.1073	5.0375	1.8086	5.8938		1.8113	5.3682	5.0534
H12	2.8427	2.7173	2.3718	3.8777	2.1083	3.9335	1.1073	5.0375	1.8086	5.8938	1.8113		5.0534	5.3682
H13	2.8427	2.7173	3.8777	2.3718	3.9335	2.1083	5.0375	1.1073	5.8938	1.8086	5.3682	5.0534		1.8113
H14	2.8427	2.7173	3.8777	2.3718	3.9335	2.1083	5.0375	1.1073	5.8938	1.8086	5.0534	5.3682	1.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	127.161	C1	C2	O6	127.161
C2	C1	H3	121.337	C2	C1	H4	121.337
C2	O5	C7	117.015	C2	O6	C8	117.015
H3	C1	H4	117.327	O5	C2	O6	105.677
O5	C7	H9	105.295	O5	C7	H11	110.874
O5	C7	H12	110.874	O6	C8	H10	105.295
O6	C8	H13	110.874	O6	C8	H14	110.874
H9	C7	H11	109.986	H9	C7	H12	109.986
H10	C8	H13	109.986	H10	C8	H14	109.986
H11	C7	H12	109.746	H13	C8	H14	109.746

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

using model chemistry: BLYP/aug-cc-pVDZ

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	1.418
2	C	0.830
3	H	-0.797
4	H	-0.797
5	O	-0.517
6	O	-0.517
7	C	1.260
8	C	1.260
9	H	-0.618
10	H	-0.618
11	H	-0.226
12	H	-0.226
13	H	-0.226
14	H	-0.226

<r²>	192.411
(<r²>)^1/2	13.871

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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