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	hartrees
Energy at 0K	-307.414486
Energy at 298.15K	-307.406356
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3105	0.27
2	A₁	3163	3038	25.66
3	A₁	3035	2914	7.19
4	A₁	1717	1649	228.02
5	A₁	1541	1480	3.96
6	A₁	1511	1451	8.00
7	A₁	1448	1391	14.25
8	A₁	1243	1193	4.27
9	A₁	1184	1137	0.08
10	A₁	897	861	39.10
11	A₁	504	484	0.33
12	A₁	270	259	4.56
13	A₂	3094	2971	0.00
14	A₂	1518	1458	0.00
15	A₂	1189	1141	0.00
16	A₂	681	654	0.00
17	A₂	246	236	0.00
18	A₂	127	122	0.00
19	B₁	3095	2972	82.08
20	B₁	1518	1457	11.97
21	B₁	1193	1146	1.88
22	B₁	721	693	91.50
23	B₁	676	649	0.00
24	B₁	266	256	0.06
25	B₁	99	95	9.06
26	B₂	3310	3178	6.45
27	B₂	3163	3038	18.01
28	B₂	3034	2914	68.13
29	B₂	1537	1476	16.08
30	B₂	1513	1453	35.91
31	B₂	1361	1307	491.19
32	B₂	1229	1181	19.17
33	B₂	1080	1037	112.48
34	B₂	954	916	0.20
35	B₂	564	542	0.16
36	B₂	383	368	8.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.423
C2	0.000	0.000	0.079
H3	0.000	0.922	1.986
H4	0.000	-0.922	1.986
O5	0.000	1.082	-0.734
O6	0.000	-1.082	-0.734
C7	0.000	2.358	-0.116
C8	0.000	-2.358	-0.116
H9	0.000	3.084	-0.931
H10	0.000	-3.084	-0.931
H11	-0.894	2.500	0.504
H12	0.894	2.500	0.504
H13	0.894	-2.500	0.504
H14	-0.894	-2.500	0.504

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3444	1.0804	1.0804	2.4135	2.4135	2.8162	2.8162	3.8800	3.8800	2.8093	2.8093	2.8093	2.8093
C2	1.3444		2.1185	2.1185	1.3532	1.3532	2.3663	2.3663	3.2454	3.2454	2.6886	2.6886	2.6886	2.6886
H3	1.0804	2.1185		1.8444	2.7250	3.3787	2.5457	3.8962	3.6307	4.9558	2.3418	2.3418	3.8346	3.8346
H4	1.0804	2.1185	1.8444		3.3787	2.7250	3.8962	2.5457	4.9558	3.6307	3.8346	3.8346	2.3418	2.3418
O5	2.4135	1.3532	2.7250	3.3787		2.1633	1.4185	3.4951	2.0124	4.1707	2.0842	2.0842	3.8933	3.8933
O6	2.4135	1.3532	3.3787	2.7250	2.1633		3.4951	1.4185	4.1707	2.0124	3.8933	3.8933	2.0842	2.0842
C7	2.8162	2.3663	2.5457	3.8962	1.4185	3.4951		4.7166	1.0912	5.5034	1.0974	1.0974	4.9782	4.9782
C8	2.8162	2.3663	3.8962	2.5457	3.4951	1.4185	4.7166		5.5034	1.0912	4.9782	4.9782	1.0974	1.0974
H9	3.8800	3.2454	3.6307	4.9558	2.0124	4.1707	1.0912	5.5034		6.1689	1.7889	1.7889	5.8343	5.8343
H10	3.8800	3.2454	4.9558	3.6307	4.1707	2.0124	5.5034	1.0912	6.1689		5.8343	5.8343	1.7889	1.7889
H11	2.8093	2.6886	2.3418	3.8346	2.0842	3.8933	1.0974	4.9782	1.7889	5.8343		1.7888	5.3094	4.9990
H12	2.8093	2.6886	2.3418	3.8346	2.0842	3.8933	1.0974	4.9782	1.7889	5.8343	1.7888		4.9990	5.3094
H13	2.8093	2.6886	3.8346	2.3418	3.8933	2.0842	4.9782	1.0974	5.8343	1.7889	5.3094	4.9990		1.7888
H14	2.8093	2.6886	3.8346	2.3418	3.8933	2.0842	4.9782	1.0974	5.8343	1.7889	4.9990	5.3094	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.934	C1	C2	O6	126.934
C2	C1	H3	121.394	C2	C1	H4	121.394
C2	O5	C7	117.225	C2	O6	C8	117.225
H3	C1	H4	117.211	O5	C2	O6	106.133
O5	C7	H9	105.873	O5	C7	H11	111.228
O5	C7	H12	111.228	O6	C8	H10	105.873
O6	C8	H13	111.228	O6	C8	H14	111.228
H9	C7	H11	109.643	H9	C7	H12	109.643
H10	C8	H13	109.643	H10	C8	H14	109.643
H11	C7	H12	109.171	H13	C8	H14	109.171

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

using model chemistry: G3B3

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	CHELPG	ESP
1	C	-0.503	-0.757	-0.786
2	C	0.623	0.644	0.646
3	H	0.139	0.209	0.219
4	H	0.139	0.209	0.219
5	O	-0.463	-0.382	-0.367
6	O	-0.463	-0.382	-0.367
7	C	-0.216	0.150	0.070
8	C	-0.216	0.150	0.070
9	H	0.170	0.057	0.079
10	H	0.170	0.057	0.079
11	H	0.155	0.012	0.033
12	H	0.155	0.012	0.035
13	H	0.155	0.012	0.035
14	H	0.155	0.012	0.033

	x	y	z	Total
	0.000	0.000	1.159	1.159
CHELPG	0.000	0.000	1.184	1.184
AIM
ESP	0.012	0.000	1.187	1.187

<r²>	187.462
(<r²>)^1/2	13.692

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

using model chemistry: G3B3

States and conformations

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