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	hartrees
Energy at 0K	-307.545030
Energy at 298.15K	-307.554737
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3108	1.12
2	A₁	3187	3053	18.72
3	A₁	3041	2913	8.73
4	A₁	1714	1642	292.94
5	A₁	1509	1445	1.39
6	A₁	1459	1398	19.87
7	A₁	1397	1338	4.31
8	A₁	1237	1185	3.79
9	A₁	1196	1146	0.57
10	A₁	908	870	38.25
11	A₁	511	490	0.45
12	A₁	294	282	5.16
13	A₂	3116	2985	0.00
14	A₂	1480	1417	0.00
15	A₂	1169	1119	0.00
16	A₂	671	643	0.00
17	A₂	316	303	0.00
18	A₂	147	141	0.00
19	B₁	3117	2985	61.01
20	B₁	1479	1417	19.61
21	B₁	1173	1123	1.72
22	B₁	730	699	77.59
23	B₁	686	657	4.19
24	B₁	336	322	0.09
25	B₁	112	107	8.21
26	B₂	3337	3197	4.61
27	B₂	3187	3053	17.13
28	B₂	3041	2913	67.75
29	B₂	1490	1428	61.60
30	B₂	1475	1413	54.55
31	B₂	1361	1304	450.78
32	B₂	1215	1164	5.38
33	B₂	1088	1042	96.05
34	B₂	955	915	0.90
35	B₂	565	541	0.36
36	B₂	415	397	5.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.412
C2	0.000	0.000	0.068
H3	0.000	0.926	1.970
H4	0.000	-0.926	1.970
O5	0.000	1.076	-0.736
O6	0.000	-1.076	-0.736
C7	0.000	2.339	-0.106
C8	0.000	-2.339	-0.106
H9	0.000	3.076	-0.911
H10	0.000	-3.076	-0.911
H11	-0.896	2.468	0.514
H12	0.896	2.468	0.514
H13	0.896	-2.468	0.514
H14	-0.896	-2.468	0.514

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3439	1.0814	1.0814	2.4022	2.4022	2.7888	2.7888	3.8545	3.8545	2.7752	2.7752	2.7752	2.7752
C2	1.3439		2.1156	2.1156	1.3430	1.3430	2.3458	2.3458	3.2279	3.2279	2.6636	2.6636	2.6636	2.6636
H3	1.0814	2.1156		1.8525	2.7100	3.3660	2.5115	3.8697	3.5948	4.9313	2.3023	2.3023	3.8007	3.8007
H4	1.0814	2.1156	1.8525		3.3660	2.7100	3.8697	2.5115	4.9313	3.5948	3.8007	3.8007	2.3023	2.3023
O5	2.4022	1.3430	2.7100	3.3660		2.1516	1.4117	3.4727	2.0076	4.1552	2.0749	2.0749	3.8635	3.8635
O6	2.4022	1.3430	3.3660	2.7100	2.1516		3.4727	1.4117	4.1552	2.0076	3.8635	3.8635	2.0749	2.0749
C7	2.7888	2.3458	2.5115	3.8697	1.4117	3.4727		4.6786	1.0911	5.4745	1.0978	1.0978	4.9296	4.9296
C8	2.7888	2.3458	3.8697	2.5115	3.4727	1.4117	4.6786		5.4745	1.0911	4.9296	4.9296	1.0978	1.0978
H9	3.8545	3.2279	3.5948	4.9313	2.0076	4.1552	1.0911	5.4745		6.1514	1.7902	1.7902	5.7941	5.7941
H10	3.8545	3.2279	4.9313	3.5948	4.1552	2.0076	5.4745	1.0911	6.1514		5.7941	5.7941	1.7902	1.7902
H11	2.7752	2.6636	2.3023	3.8007	2.0749	3.8635	1.0978	4.9296	1.7902	5.7941		1.7927	5.2519	4.9365
H12	2.7752	2.6636	2.3023	3.8007	2.0749	3.8635	1.0978	4.9296	1.7902	5.7941	1.7927		4.9365	5.2519
H13	2.7752	2.6636	3.8007	2.3023	3.8635	2.0749	4.9296	1.0978	5.7941	1.7902	5.2519	4.9365		1.7927
H14	2.7752	2.6636	3.8007	2.3023	3.8635	2.0749	4.9296	1.0978	5.7941	1.7902	4.9365	5.2519	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.768	C1	C2	O6	126.768
C2	C1	H3	121.070	C2	C1	H4	121.070
C2	O5	C7	116.745	C2	O6	C8	116.745
H3	C1	H4	117.859	O5	C2	O6	106.464
O5	C7	H9	105.962	O5	C7	H11	110.930
O5	C7	H12	110.930	O6	C8	H10	105.962
O6	C8	H13	110.930	O6	C8	H14	110.930
H9	C7	H11	109.744	H9	C7	H12	109.744
H10	C8	H13	109.744	H10	C8	H14	109.744
H11	C7	H12	109.475	H13	C8	H14	109.475

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

using model chemistry: B1B95/aug-cc-pVDZ

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	1.022
2	C	1.048
3	H	-0.672
4	H	-0.672
5	O	-0.615
6	O	-0.615
7	C	0.954
8	C	0.954
9	H	-0.468
10	H	-0.468
11	H	-0.117
12	H	-0.117
13	H	-0.117
14	H	-0.117

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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