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	hartrees
Energy at 0K	-59.338203
Energy at 298.15K	-59.347490
Nuclear repulsion energy	138.029131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3092	0.00
2	A₁	3134	3038	36.61
3	A₁	3006	2914	10.42
4	A₁	1658	1607	267.37
5	A₁	1517	1471	3.37
6	A₁	1493	1447	11.69
7	A₁	1421	1378	22.44
8	A₁	1223	1186	2.86
9	A₁	1158	1123	0.02
10	A₁	875	849	39.65
11	A₁	492	477	0.75
12	A₁	264	256	5.15
13	A₂	3073	2979	0.00
14	A₂	1500	1454	0.00
15	A₂	1172	1136	0.00
16	A₂	667	647	0.00
17	A₂	250	242	0.00
18	A₂	124	120	0.00
19	B₁	3073	2979	103.31
20	B₁	1499	1454	14.75
21	B₁	1176	1140	1.88
22	B₁	694	673	100.65
23	B₁	654	634	1.24
24	B₁	268	260	0.10
25	B₁	98	95	9.74
26	B₂	3274	3174	9.79
27	B₂	3134	3038	23.82
28	B₂	3005	2913	83.64
29	B₂	1512	1466	20.38
30	B₂	1493	1448	22.34
31	B₂	1329	1288	523.99
32	B₂	1213	1176	16.76
33	B₂	1055	1023	131.15
34	B₂	933	904	0.26
35	B₂	553	536	0.21
36	B₂	376	365	7.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.421
C2	0.000	0.000	0.066
H3	0.000	0.925	1.984
H4	0.000	-0.925	1.984
O5	0.000	1.090	-0.753
O6	0.000	-1.090	-0.753
C7	0.000	2.377	-0.124
C8	0.000	-2.377	-0.124
H9	0.000	3.105	-0.938
H10	0.000	-3.105	-0.938
H11	-0.897	2.515	0.496
H12	0.897	2.515	0.496
H13	0.897	-2.515	0.496
H14	-0.897	-2.515	0.496

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3556	1.0829	1.0829	2.4322	2.4322	2.8347	2.8347	3.9003	3.9003	2.8260	2.8260	2.8260	2.8260
C2	1.3556		2.1297	2.1297	1.3631	1.3631	2.3842	2.3842	3.2637	3.2637	2.7045	2.7045	2.7045	2.7045
H3	1.0829	2.1297		1.8506	2.7419	3.3988	2.5590	3.9173	3.6461	4.9787	2.3552	2.3552	3.8542	3.8542
H4	1.0829	2.1297	1.8506		3.3988	2.7419	3.9173	2.5590	4.9787	3.6461	3.8542	3.8542	2.3552	2.3552
O5	2.4322	1.3631	2.7419	3.3988		2.1796	1.4325	3.5231	2.0241	4.1992	2.0964	2.0964	3.9188	3.9188
O6	2.4322	1.3631	3.3988	2.7419	2.1796		3.5231	1.4325	4.1992	2.0241	3.9188	3.9188	2.0964	2.0964
C7	2.8347	2.3842	2.5590	3.9173	1.4325	3.5231		4.7532	1.0932	5.5422	1.0990	1.0990	5.0115	5.0115
C8	2.8347	2.3842	3.9173	2.5590	3.5231	1.4325	4.7532		5.5422	1.0932	5.0115	5.0115	1.0990	1.0990
H9	3.9003	3.2637	3.6461	4.9787	2.0241	4.1992	1.0932	5.5422		6.2107	1.7919	1.7919	5.8693	5.8693
H10	3.9003	3.2637	4.9787	3.6461	4.1992	2.0241	5.5422	1.0932	6.2107		5.8693	5.8693	1.7919	1.7919
H11	2.8260	2.7045	2.3552	3.8542	2.0964	3.9188	1.0990	5.0115	1.7919	5.8693		1.7946	5.3402	5.0296
H12	2.8260	2.7045	2.3552	3.8542	2.0964	3.9188	1.0990	5.0115	1.7919	5.8693	1.7946		5.0296	5.3402
H13	2.8260	2.7045	3.8542	2.3552	3.9188	2.0964	5.0115	1.0990	5.8693	1.7919	5.3402	5.0296		1.7946
H14	2.8260	2.7045	3.8542	2.3552	3.9188	2.0964	5.0115	1.0990	5.8693	1.7919	5.0296	5.3402	1.7946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.919	C1	C2	O6	126.919
C2	C1	H3	121.301	C2	C1	H4	121.301
C2	O5	C7	117.020	C2	O6	C8	117.020
H3	C1	H4	117.398	O5	C2	O6	106.162
O5	C7	H9	105.744	O5	C7	H11	111.132
O5	C7	H12	111.132	O6	C8	H10	105.744
O6	C8	H13	111.132	O6	C8	H14	111.132
H9	C7	H11	109.649	H9	C7	H12	109.649
H10	C8	H13	109.649	H10	C8	H14	109.649
H11	C7	H12	109.468	H13	C8	H14	109.468

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

using model chemistry: B3LYP/CEP-121G*

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	-0.642
2	C	0.336
3	H	0.184
4	H	0.184
5	O	-0.173
6	O	-0.173
7	C	-0.393
8	C	-0.393
9	H	0.189
10	H	0.189
11	H	0.172
12	H	0.172
13	H	0.172
14	H	0.172

<r²>	156.389
(<r²>)^1/2	12.506

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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