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	hartrees
Energy at 0K	-59.239536
Energy at 298.15K	-59.249147
Nuclear repulsion energy	138.667140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3097	0.48
2	A₁	3180	3044	38.53
3	A₁	3048	2917	11.89
4	A₁	1718	1645	281.30
5	A₁	1515	1450	0.05
6	A₁	1484	1421	21.07
7	A₁	1408	1348	8.04
8	A₁	1241	1188	1.69
9	A₁	1204	1152	0.96
10	A₁	904	866	42.09
11	A₁	505	484	0.53
12	A₁	289	276	4.72
13	A₂	3122	2988	0.00
14	A₂	1500	1436	0.00
15	A₂	1176	1125	0.00
16	A₂	672	643	0.00
17	A₂	324	310	0.00
18	A₂	151	145	0.00
19	B₁	3123	2989	101.79
20	B₁	1500	1436	15.21
21	B₁	1179	1129	0.11
22	B₁	709	679	135.91
23	B₁	669	641	0.26
24	B₁	344	329	0.00
25	B₁	112	107	10.44
26	B₂	3320	3178	7.76
27	B₂	3179	3043	25.15
28	B₂	3047	2917	84.22
29	B₂	1509	1445	69.15
30	B₂	1495	1431	8.73
31	B₂	1382	1323	519.75
32	B₂	1217	1165	5.52
33	B₂	1095	1049	74.69
34	B₂	941	900	1.58
35	B₂	548	525	0.40
36	B₂	400	383	7.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.430
C2	0.000	0.000	0.055
H3	0.000	0.930	1.994
H4	0.000	-0.930	1.994
O5	0.000	1.087	-0.751
O6	0.000	-1.087	-0.751
C7	0.000	2.345	-0.100
C8	0.000	-2.345	-0.100
H9	0.000	3.104	-0.894
H10	0.000	-3.104	-0.894
H11	-0.900	2.471	0.528
H12	0.900	2.471	0.528
H13	0.900	-2.471	0.528
H14	-0.900	-2.471	0.528

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3746	1.0880	1.0880	2.4371	2.4371	2.8002	2.8002	3.8778	3.8778	2.7799	2.7799	2.7799	2.7799
C2	1.3746		2.1502	2.1502	1.3538	1.3538	2.3505	2.3505	3.2461	3.2461	2.6718	2.6718	2.6718	2.6718
H3	1.0880	2.1502		1.8609	2.7494	3.4068	2.5269	3.8877	3.6145	4.9617	2.3088	2.3088	3.8114	3.8114
H4	1.0880	2.1502	1.8609		3.4068	2.7494	3.8877	2.5269	4.9617	3.6145	3.8114	3.8114	2.3088	2.3088
O5	2.4371	1.3538	2.7494	3.4068		2.1748	1.4166	3.4940	2.0219	4.1940	2.0882	2.0882	3.8868	3.8868
O6	2.4371	1.3538	3.4068	2.7494	2.1748		3.4940	1.4166	4.1940	2.0219	3.8868	3.8868	2.0882	2.0882
C7	2.8002	2.3505	2.5269	3.8877	1.4166	3.4940		4.6907	1.0985	5.5072	1.1046	1.1046	4.9396	4.9396
C8	2.8002	2.3505	3.8877	2.5269	3.4940	1.4166	4.6907		5.5072	1.0985	4.9396	4.9396	1.1046	1.1046
H9	3.8778	3.2461	3.6145	4.9617	2.0219	4.1940	1.0985	5.5072		6.2084	1.7984	1.7984	5.8235	5.8235
H10	3.8778	3.2461	4.9617	3.6145	4.1940	2.0219	5.5072	1.0985	6.2084		5.8235	5.8235	1.7984	1.7984
H11	2.7799	2.6718	2.3088	3.8114	2.0882	3.8868	1.1046	4.9396	1.7984	5.8235		1.8001	5.2592	4.9415
H12	2.7799	2.6718	2.3088	3.8114	2.0882	3.8868	1.1046	4.9396	1.7984	5.8235	1.8001		4.9415	5.2592
H13	2.7799	2.6718	3.8114	2.3088	3.8868	2.0882	4.9396	1.1046	5.8235	1.7984	5.2592	4.9415		1.8001
H14	2.7799	2.6718	3.8114	2.3088	3.8868	2.0882	4.9396	1.1046	5.8235	1.7984	4.9415	5.2592	1.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.563	C1	C2	O6	126.563
C2	C1	H3	121.217	C2	C1	H4	121.217
C2	O5	C7	116.065	C2	O6	C8	116.065
H3	C1	H4	117.566	O5	C2	O6	106.875
O5	C7	H9	106.323	O5	C7	H11	111.236
O5	C7	H12	111.236	O6	C8	H10	106.323
O6	C8	H13	111.236	O6	C8	H14	111.236
H9	C7	H11	109.429	H9	C7	H12	109.429
H10	C8	H13	109.429	H10	C8	H14	109.429
H11	C7	H12	109.133	H13	C8	H14	109.133

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

using model chemistry: B1B95/CEP-31G*

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	-0.547
2	C	-0.115
3	H	0.239
4	H	0.239
5	O	-0.032
6	O	-0.032
7	C	-0.431
8	C	-0.431
9	H	0.219
10	H	0.219
11	H	0.168
12	H	0.168
13	H	0.168
14	H	0.168

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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