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	hartrees
Energy at 0K	-307.588388
Energy at 298.15K	-307.598020
Nuclear repulsion energy	250.343707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3092	0.93
2	A₁	3165	3039	22.60
3	A₁	3024	2904	8.69
4	A₁	1711	1643	270.84
5	A₁	1518	1458	1.78
6	A₁	1485	1426	19.34
7	A₁	1414	1357	7.45
8	A₁	1244	1194	3.58
9	A₁	1196	1148	0.56
10	A₁	907	871	42.92
11	A₁	509	489	0.50
12	A₁	286	274	4.48
13	A₂	3089	2966	0.00
14	A₂	1497	1437	0.00
15	A₂	1179	1132	0.00
16	A₂	676	649	0.00
17	A₂	306	294	0.00
18	A₂	142	137	0.00
19	B₁	3090	2967	77.00
20	B₁	1497	1437	19.19
21	B₁	1183	1136	1.58
22	B₁	726	697	92.89
23	B₁	685	658	3.77
24	B₁	326	313	0.05
25	B₁	107	103	9.11
26	B₂	3306	3174	4.51
27	B₂	3165	3039	16.69
28	B₂	3024	2903	64.31
29	B₂	1511	1451	34.76
30	B₂	1497	1437	48.97
31	B₂	1363	1308	508.93
32	B₂	1226	1177	9.42
33	B₂	1084	1041	93.32
34	B₂	950	912	1.30
35	B₂	561	538	0.37
36	B₂	398	382	7.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.408
C2	0.000	0.000	0.069
H3	0.000	0.921	1.966
H4	0.000	-0.921	1.966
O5	0.000	1.075	-0.734
O6	0.000	-1.075	-0.734
C7	0.000	2.338	-0.107
C8	0.000	-2.338	-0.107
H9	0.000	3.071	-0.909
H10	0.000	-3.071	-0.909
H11	-0.892	2.470	0.513
H12	0.892	2.470	0.513
H13	0.892	-2.470	0.513
H14	-0.892	-2.470	0.513

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3395	1.0770	1.0770	2.3967	2.3967	2.7856	2.7856	3.8470	3.8470	2.7746	2.7746	2.7746	2.7746
C2	1.3395		2.1092	2.1092	1.3416	1.3416	2.3443	2.3443	3.2230	3.2230	2.6635	2.6635	2.6635	2.6635
H3	1.0770	2.1092		1.8423	2.7045	3.3578	2.5105	3.8622	3.5897	4.9196	2.3036	2.3036	3.7958	3.7958
H4	1.0770	2.1092	1.8423		3.3578	2.7045	3.8622	2.5105	4.9196	3.5897	3.7958	3.7958	2.3036	2.3036
O5	2.3967	1.3416	2.7045	3.3578		2.1498	1.4101	3.4698	2.0040	4.1499	2.0729	2.0729	3.8624	3.8624
O6	2.3967	1.3416	3.3578	2.7045	2.1498		3.4698	1.4101	4.1499	2.0040	3.8624	3.8624	2.0729	2.0729
C7	2.7856	2.3443	2.5105	3.8622	1.4101	3.4698		4.6754	1.0867	5.4681	1.0939	1.0939	4.9290	4.9290
C8	2.7856	2.3443	3.8622	2.5105	3.4698	1.4101	4.6754		5.4681	1.0867	4.9290	4.9290	1.0939	1.0939
H9	3.8470	3.2230	3.5897	4.9196	2.0040	4.1499	1.0867	5.4681		6.1425	1.7823	1.7823	5.7899	5.7899
H10	3.8470	3.2230	4.9196	3.5897	4.1499	2.0040	5.4681	1.0867	6.1425		5.7899	5.7899	1.7823	1.7823
H11	2.7746	2.6635	2.3036	3.7958	2.0729	3.8624	1.0939	4.9290	1.7823	5.7899		1.7836	5.2525	4.9404
H12	2.7746	2.6635	2.3036	3.7958	2.0729	3.8624	1.0939	4.9290	1.7823	5.7899	1.7836		4.9404	5.2525
H13	2.7746	2.6635	3.7958	2.3036	3.8624	2.0729	4.9290	1.0939	5.7899	1.7823	5.2525	4.9404		1.7836
H14	2.7746	2.6635	3.7958	2.3036	3.8624	2.0729	4.9290	1.0939	5.7899	1.7823	4.9404	5.2525	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.752	C1	C2	O6	126.752
C2	C1	H3	121.203	C2	C1	H4	121.203
C2	O5	C7	116.827	C2	O6	C8	116.827
H3	C1	H4	117.594	O5	C2	O6	106.496
O5	C7	H9	106.035	O5	C7	H11	111.129
O5	C7	H12	111.129	O6	C8	H10	106.035
O6	C8	H13	111.129	O6	C8	H14	111.129
H9	C7	H11	109.638	H9	C7	H12	109.638
H10	C8	H13	109.638	H10	C8	H14	109.638
H11	C7	H12	109.219	H13	C8	H14	109.219

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

using model chemistry: B1B95/6-311G**

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	-0.444
2	C	0.384
3	H	0.126
4	H	0.126
5	O	-0.304
6	O	-0.304
7	C	-0.191
8	C	-0.191
9	H	0.141
10	H	0.141
11	H	0.129
12	H	0.129
13	H	0.129
14	H	0.129

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-311G**

States and conformations

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