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	hartrees
Energy at 0K	-307.762997
Energy at 298.15K	-307.772372
Nuclear repulsion energy	249.188509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3098	0.82
2	A₁	3133	3029	18.27
3	A₁	3011	2912	7.90
4	A₁	1676	1621	282.95
5	A₁	1515	1465	5.58
6	A₁	1489	1440	11.64
7	A₁	1427	1380	18.28
8	A₁	1233	1192	4.24
9	A₁	1169	1130	0.08
10	A₁	890	861	38.14
11	A₁	504	487	0.70
12	A₁	267	258	5.29
13	A₂	3069	2967	0.00
14	A₂	1496	1447	0.00
15	A₂	1180	1141	0.00
16	A₂	675	653	0.00
17	A₂	237	229	0.00
18	A₂	137	132	0.00
19	B₁	3069	2968	62.70
20	B₁	1496	1446	19.56
21	B₁	1184	1145	2.26
22	B₁	732	708	78.52
23	B₁	681	658	4.55
24	B₁	252	244	0.21
25	B₁	104	101	8.62
26	B₂	3285	3176	3.29
27	B₂	3133	3029	15.43
28	B₂	3011	2912	70.61
29	B₂	1509	1459	19.92
30	B₂	1493	1444	38.00
31	B₂	1334	1290	487.16
32	B₂	1221	1181	16.62
33	B₂	1061	1026	123.52
34	B₂	941	909	0.41
35	B₂	564	546	0.33
36	B₂	378	365	6.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.420
C2	0.000	0.000	0.079
H3	0.000	0.920	1.977
H4	0.000	-0.920	1.977
O5	0.000	1.078	-0.726
O6	0.000	-1.078	-0.726
C7	0.000	2.360	-0.120
C8	0.000	-2.360	-0.120
H9	0.000	3.077	-0.936
H10	0.000	-3.077	-0.936
H11	-0.892	2.503	0.495
H12	0.892	2.503	0.495
H13	0.892	-2.503	0.495
H14	-0.892	-2.503	0.495

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3404	1.0756	1.0756	2.4017	2.4017	2.8174	2.8174	3.8747	3.8747	2.8135	2.8135	2.8135	2.8135
C2	1.3404		2.1092	2.1092	1.3460	1.3460	2.3681	2.3681	3.2397	3.2397	2.6895	2.6895	2.6895	2.6895
H3	1.0756	2.1092		1.8394	2.7083	3.3618	2.5438	3.8925	3.6247	4.9454	2.3451	2.3451	3.8351	3.8351
H4	1.0756	2.1092	1.8394		3.3618	2.7083	3.8925	2.5438	4.9454	3.6247	3.8351	3.8351	2.3451	2.3451
O5	2.4017	1.3460	2.7083	3.3618		2.1566	1.4177	3.4911	2.0092	4.1602	2.0777	2.0777	3.8876	3.8876
O6	2.4017	1.3460	3.3618	2.7083	2.1566		3.4911	1.4177	4.1602	2.0092	3.8876	3.8876	2.0777	2.0777
C7	2.8174	2.3681	2.5438	3.8925	1.4177	3.4911		4.7194	1.0863	5.4972	1.0924	1.0924	4.9820	4.9820
C8	2.8174	2.3681	3.8925	2.5438	3.4911	1.4177	4.7194		5.4972	1.0863	4.9820	4.9820	1.0924	1.0924
H9	3.8747	3.2397	3.6247	4.9454	2.0092	4.1602	1.0863	5.4972		6.1531	1.7807	1.7807	5.8289	5.8289
H10	3.8747	3.2397	4.9454	3.6247	4.1602	2.0092	5.4972	1.0863	6.1531		5.8289	5.8289	1.7807	1.7807
H11	2.8135	2.6895	2.3451	3.8351	2.0777	3.8876	1.0924	4.9820	1.7807	5.8289		1.7831	5.3144	5.0064
H12	2.8135	2.6895	2.3451	3.8351	2.0777	3.8876	1.0924	4.9820	1.7807	5.8289	1.7831		5.0064	5.3144
H13	2.8135	2.6895	3.8351	2.3451	3.8876	2.0777	4.9820	1.0924	5.8289	1.7807	5.3144	5.0064		1.7831
H14	2.8135	2.6895	3.8351	2.3451	3.8876	2.0777	4.9820	1.0924	5.8289	1.7807	5.0064	5.3144	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.762	C1	C2	O6	126.762
C2	C1	H3	121.232	C2	C1	H4	121.232
C2	O5	C7	117.903	C2	O6	C8	117.903
H3	C1	H4	117.537	O5	C2	O6	106.476
O5	C7	H9	105.961	O5	C7	H11	111.071
O5	C7	H12	111.071	O6	C8	H10	105.961
O6	C8	H13	111.071	O6	C8	H14	111.071
H9	C7	H11	109.638	H9	C7	H12	109.638
H10	C8	H13	109.638	H10	C8	H14	109.638
H11	C7	H12	109.402	H13	C8	H14	109.402

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.459
2	C	0.827
3	H	0.148
4	H	0.148
5	O	-0.626
6	O	-0.626
7	C	-0.160
8	C	-0.160
9	H	0.141
10	H	0.141
11	H	0.157
12	H	0.157
13	H	0.157
14	H	0.157

<r²>	187.703
(<r²>)^1/2	13.700

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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