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	hartrees
Energy at 0K	-307.464831
Energy at 298.15K	-307.456817
HF Energy	-307.670296
Nuclear repulsion energy	249.224771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3106	0.67
2	A₁	3139	3029	22.13
3	A₁	3013	2907	6.23
4	A₁	1705	1645	224.50
5	A₁	1514	1461	3.45
6	A₁	1490	1437	10.38
7	A₁	1428	1378	9.38
8	A₁	1234	1191	5.24
9	A₁	1179	1137	0.03
10	A₁	894	862	34.93
11	A₁	506	488	0.32
12	A₁	268	259	4.31
13	A₂	3073	2965	0.00
14	A₂	1488	1436	0.00
15	A₂	1182	1140	0.00
16	A₂	683	659	0.00
17	A₂	242	234	0.00
18	A₂	134	129	0.00
19	B₁	3074	2966	69.31
20	B₁	1488	1435	12.42
21	B₁	1186	1144	2.43
22	B₁	727	702	72.18
23	B₁	685	661	2.05
24	B₁	263	254	0.03
25	B₁	101	97	7.68
26	B₂	3301	3185	4.39
27	B₂	3139	3029	16.51
28	B₂	3012	2907	66.00
29	B₂	1509	1456	8.81
30	B₂	1494	1442	50.48
31	B₂	1343	1296	460.13
32	B₂	1222	1179	17.70
33	B₂	1072	1034	110.75
34	B₂	947	914	0.51
35	B₂	562	542	0.08
36	B₂	381	368	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.419
C2	0.000	0.000	0.079
H3	0.000	0.921	1.979
H4	0.000	-0.921	1.979
O5	0.000	1.078	-0.731
O6	0.000	-1.078	-0.731
C7	0.000	2.352	-0.117
C8	0.000	-2.352	-0.117
H9	0.000	3.080	-0.930
H10	0.000	-3.080	-0.930
H11	-0.893	2.495	0.504
H12	0.893	2.495	0.504
H13	0.893	-2.495	0.504
H14	-0.893	-2.495	0.504

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3398	1.0782	1.0782	2.4054	2.4054	2.8093	2.8093	3.8734	3.8734	2.8039	2.8039	2.8039	2.8039
C2	1.3398		2.1113	2.1113	1.3485	1.3485	2.3603	2.3603	3.2410	3.2410	2.6842	2.6842	2.6842	2.6842
H3	1.0782	2.1113		1.8430	2.7148	3.3678	2.5376	3.8871	3.6220	4.9468	2.3346	2.3346	3.8273	3.8273
H4	1.0782	2.1113	1.8430		3.3678	2.7148	3.8871	2.5376	4.9468	3.6220	3.8273	3.8273	2.3346	2.3346
O5	2.4054	1.3485	2.7148	3.3678		2.1552	1.4149	3.4844	2.0122	4.1623	2.0818	2.0818	3.8846	3.8846
O6	2.4054	1.3485	3.3678	2.7148	2.1552		3.4844	1.4149	4.1623	2.0122	3.8846	3.8846	2.0818	2.0818
C7	2.8093	2.3603	2.5376	3.8871	1.4149	3.4844		4.7043	1.0909	5.4926	1.0971	1.0971	4.9681	4.9681
C8	2.8093	2.3603	3.8871	2.5376	3.4844	1.4149	4.7043		5.4926	1.0909	4.9681	4.9681	1.0971	1.0971
H9	3.8734	3.2410	3.6220	4.9468	2.0122	4.1623	1.0909	5.4926		6.1601	1.7873	1.7873	5.8256	5.8256
H10	3.8734	3.2410	4.9468	3.6220	4.1623	2.0122	5.4926	1.0909	6.1601		5.8256	5.8256	1.7873	1.7873
H11	2.8039	2.6842	2.3346	3.8273	2.0818	3.8846	1.0971	4.9681	1.7873	5.8256		1.7861	5.3008	4.9908
H12	2.8039	2.6842	2.3346	3.8273	2.0818	3.8846	1.0971	4.9681	1.7873	5.8256	1.7861		4.9908	5.3008
H13	2.8039	2.6842	3.8273	2.3346	3.8846	2.0818	4.9681	1.0971	5.8256	1.7873	5.3008	4.9908		1.7861
H14	2.8039	2.6842	3.8273	2.3346	3.8846	2.0818	4.9681	1.0971	5.8256	1.7873	4.9908	5.3008	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.730	C1	C2	O6	126.730
C2	C1	H3	121.373	C2	C1	H4	121.373
C2	O5	C7	117.729	C2	O6	C8	117.729
H3	C1	H4	117.254	O5	C2	O6	106.539
O5	C7	H9	106.302	O5	C7	H11	111.421
O5	C7	H12	111.421	O6	C8	H10	106.302
O6	C8	H13	111.421	O6	C8	H14	111.421
H9	C7	H11	109.384	H9	C7	H12	109.384
H10	C8	H13	109.384	H10	C8	H14	109.384
H11	C7	H12	108.875	H13	C8	H14	108.875

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

using model chemistry: G4

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	-0.562
2	C	0.509
3	H	0.104
4	H	0.104
5	O	-0.229
6	O	-0.229
7	C	-0.239
8	C	-0.239
9	H	0.136
10	H	0.136
11	H	0.127
12	H	0.127
13	H	0.127
14	H	0.127

<r²>	186.670
(<r²>)^1/2	13.663

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

using model chemistry: G4

States and conformations

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