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	hartrees
Energy at 0K	-307.552382
Energy at 298.15K	-307.561787
Nuclear repulsion energy	250.018464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3102	0.89
2	A₁	3152	3030	19.98
3	A₁	3018	2901	5.43
4	A₁	1716	1650	231.91
5	A₁	1509	1451	3.34
6	A₁	1481	1424	13.25
7	A₁	1417	1363	6.15
8	A₁	1236	1188	4.16
9	A₁	1194	1148	0.61
10	A₁	903	868	35.18
11	A₁	511	491	0.28
12	A₁	269	258	4.27
13	A₂	3086	2967	0.00
14	A₂	1483	1426	0.00
15	A₂	1179	1134	0.00
16	A₂	681	655	0.00
17	A₂	244	234	0.00
18	A₂	137	132	0.00
19	B₁	3086	2967	65.16
20	B₁	1482	1425	14.88
21	B₁	1183	1138	1.75
22	B₁	724	696	70.90
23	B₁	687	661	7.31
24	B₁	267	256	0.00
25	B₁	102	98	7.76
26	B₂	3313	3185	3.39
27	B₂	3152	3030	15.23
28	B₂	3017	2901	67.16
29	B₂	1504	1446	7.55
30	B₂	1491	1434	81.72
31	B₂	1357	1305	445.42
32	B₂	1218	1171	13.34
33	B₂	1086	1044	93.32
34	B₂	950	914	1.21
35	B₂	559	538	0.10
36	B₂	381	367	8.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.414
C2	0.000	0.000	0.074
H3	0.000	0.923	1.973
H4	0.000	-0.923	1.973
O5	0.000	1.075	-0.733
O6	0.000	-1.075	-0.733
C7	0.000	2.339	-0.112
C8	0.000	-2.339	-0.112
H9	0.000	3.074	-0.918
H10	0.000	-3.074	-0.918
H11	-0.893	2.478	0.510
H12	0.893	2.478	0.510
H13	0.893	-2.478	0.510
H14	-0.893	-2.478	0.510

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3398	1.0791	1.0791	2.4011	2.4011	2.7925	2.7925	3.8586	3.8586	2.7849	2.7849	2.7849	2.7849
C2	1.3398		2.1116	2.1116	1.3440	1.3440	2.3463	2.3463	3.2303	3.2303	2.6701	2.6701	2.6701	2.6701
H3	1.0791	2.1116		1.8453	2.7111	3.3638	2.5207	3.8712	3.6042	4.9331	2.3148	2.3148	3.8084	3.8084
H4	1.0791	2.1116	1.8453		3.3638	2.7111	3.8712	2.5207	4.9331	3.6042	3.8084	3.8084	2.3148	2.3148
O5	2.4011	1.3440	2.7111	3.3638		2.1490	1.4090	3.4696	2.0081	4.1527	2.0772	2.0772	3.8686	3.8686
O6	2.4011	1.3440	3.3638	2.7111	2.1490		3.4696	1.4090	4.1527	2.0081	3.8686	3.8686	2.0772	2.0772
C7	2.7925	2.3463	2.5207	3.8712	1.4090	3.4696		4.6779	1.0912	5.4728	1.0975	1.0975	4.9385	4.9385
C8	2.7925	2.3463	3.8712	2.5207	3.4696	1.4090	4.6779		5.4728	1.0912	4.9385	4.9385	1.0975	1.0975
H9	3.8586	3.2303	3.6042	4.9331	2.0081	4.1527	1.0912	5.4728		6.1483	1.7871	1.7871	5.8022	5.8022
H10	3.8586	3.2303	4.9331	3.6042	4.1527	2.0081	5.4728	1.0912	6.1483		5.8022	5.8022	1.7871	1.7871
H11	2.7849	2.6701	2.3148	3.8084	2.0772	3.8686	1.0975	4.9385	1.7871	5.8022		1.7868	5.2685	4.9562
H12	2.7849	2.6701	2.3148	3.8084	2.0772	3.8686	1.0975	4.9385	1.7871	5.8022	1.7868		4.9562	5.2685
H13	2.7849	2.6701	3.8084	2.3148	3.8686	2.0772	4.9385	1.0975	5.8022	1.7871	5.2685	4.9562		1.7868
H14	2.7849	2.6701	3.8084	2.3148	3.8686	2.0772	4.9385	1.0975	5.8022	1.7871	4.9562	5.2685	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.922	C1	C2	O6	126.922
C2	C1	H3	121.237	C2	C1	H4	121.237
C2	O5	C7	116.897	C2	O6	C8	116.897
H3	C1	H4	117.527	O5	C2	O6	106.156
O5	C7	H9	106.172	O5	C7	H11	111.335
O5	C7	H12	111.335	O6	C8	H10	106.172
O6	C8	H13	111.335	O6	C8	H14	111.335
H9	C7	H11	109.477	H9	C7	H12	109.477
H10	C8	H13	109.477	H10	C8	H14	109.477
H11	C7	H12	108.992	H13	C8	H14	108.992

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.625
2	C	0.548
3	H	0.132
4	H	0.132
5	O	-0.255
6	O	-0.255
7	C	-0.295
8	C	-0.295
9	H	0.160
10	H	0.160
11	H	0.148
12	H	0.148
13	H	0.148
14	H	0.148

<r²>	185.136
(<r²>)^1/2	13.606

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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