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	hartrees
Energy at 0K	-303.567862
Energy at 298.15K	-303.576964
Nuclear repulsion energy	243.898153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3473	3066	0.36
2	A₁	3469	3064	31.14
3	A₁	3273	2890	0.18
4	A₁	1847	1631	96.04
5	A₁	1673	1477	4.28
6	A₁	1601	1414	5.99
7	A₁	1556	1374	8.68
8	A₁	1264	1116	0.22
9	A₁	1228	1084	0.44
10	A₁	903	797	9.74
11	A₁	491	433	0.01
12	A₁	288	255	2.12
13	A₂	3426	3025	0.00
14	A₂	1649	1456	0.00
15	A₂	1184	1046	0.00
16	A₂	692	611	0.00
17	A₂	314	277	0.00
18	A₂	127	112	0.00
19	B₁	3426	3025	8.56
20	B₁	1649	1456	8.77
21	B₁	1187	1048	0.82
22	B₁	777	686	50.56
23	B₁	605	534	12.08
24	B₁	335	296	0.02
25	B₁	98	87	6.52
26	B₂	3621	3197	1.08
27	B₂	3473	3066	0.56
28	B₂	3273	2890	14.34
29	B₂	1668	1473	11.29
30	B₂	1586	1400	0.38
31	B₂	1421	1255	271.59
32	B₂	1245	1099	18.93
33	B₂	1144	1010	17.00
34	B₂	988	873	4.81
35	B₂	565	499	0.68
36	B₂	419	370	4.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.431
C2	0.000	0.000	0.082
H3	0.000	0.925	1.998
H4	0.000	-0.925	1.998
O5	0.000	1.106	-0.799
O6	0.000	-1.106	-0.799
C7	0.000	2.372	-0.072
C8	0.000	-2.372	-0.072
H9	0.000	3.161	-0.843
H10	0.000	-3.161	-0.843
H11	-0.900	2.488	0.564
H12	0.900	2.488	0.564
H13	0.900	-2.488	0.564
H14	-0.900	-2.488	0.564

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3485	1.0853	1.0853	2.4887	2.4887	2.8072	2.8072	3.8936	3.8936	2.7839	2.7839	2.7839	2.7839
C2	1.3485		2.1275	2.1275	1.4138	1.4138	2.3765	2.3765	3.2933	3.2933	2.6892	2.6892	2.6892	2.6892
H3	1.0853	2.1275		1.8505	2.8028	3.4565	2.5248	3.8925	3.6152	4.9766	2.3037	2.3037	3.8098	3.8098
H4	1.0853	2.1275	1.8505		3.4565	2.8028	3.8925	2.5248	4.9766	3.6152	3.8098	3.8098	2.3037	2.3037
O5	2.4887	1.4138	2.8028	3.4565		2.2111	1.4601	3.5524	2.0555	4.2663	2.1398	2.1398	3.9473	3.9473
O6	2.4887	1.4138	3.4565	2.8028	2.2111		3.5524	1.4601	4.2663	2.0555	3.9473	3.9473	2.1398	2.1398
C7	2.8072	2.3765	2.5248	3.8925	1.4601	3.5524		4.7430	1.1038	5.5856	1.1077	1.1077	4.9828	4.9828
C8	2.8072	2.3765	3.8925	2.5248	3.5524	1.4601	4.7430		5.5856	1.1038	4.9828	4.9828	1.1077	1.1077
H9	3.8936	3.2933	3.6152	4.9766	2.0555	4.2663	1.1038	5.5856		6.3210	1.8008	1.8008	5.8904	5.8904
H10	3.8936	3.2933	4.9766	3.6152	4.2663	2.0555	5.5856	1.1038	6.3210		5.8904	5.8904	1.8008	1.8008
H11	2.7839	2.6892	2.3037	3.8098	2.1398	3.9473	1.1077	4.9828	1.8008	5.8904		1.7990	5.2913	4.9760
H12	2.7839	2.6892	2.3037	3.8098	2.1398	3.9473	1.1077	4.9828	1.8008	5.8904	1.7990		4.9760	5.2913
H13	2.7839	2.6892	3.8098	2.3037	3.9473	2.1398	4.9828	1.1077	5.8904	1.8008	5.2913	4.9760		1.7990
H14	2.7839	2.6892	3.8098	2.3037	3.9473	2.1398	4.9828	1.1077	5.8904	1.8008	4.9760	5.2913	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	128.557	C1	C2	O6	128.557
C2	C1	H3	121.516	C2	C1	H4	121.516
C2	O5	C7	111.560	C2	O6	C8	111.560
H3	C1	H4	116.967	O5	C2	O6	102.886
O5	C7	H9	105.745	O5	C7	H11	112.159
O5	C7	H12	112.159	O6	C8	H10	105.745
O6	C8	H13	112.159	O6	C8	H14	112.159
H9	C7	H11	109.040	H9	C7	H12	109.040
H10	C8	H13	109.040	H10	C8	H14	109.040
H11	C7	H12	108.597	H13	C8	H14	108.597

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

using model chemistry: B1B95/STO-3G

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	-0.254
2	C	0.164
3	H	0.072
4	H	0.072
5	O	-0.170
6	O	-0.170
7	C	-0.127
8	C	-0.127
9	H	0.095
10	H	0.095
11	H	0.088
12	H	0.088
13	H	0.088
14	H	0.088

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/STO-3G

States and conformations

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