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	hartrees
Energy at 0K	-59.238454
Energy at 298.15K	-59.247595
Nuclear repulsion energy	135.878292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3090	0.01
2	A₁	3143	3063	30.79
3	A₁	2983	2907	11.07
4	A₁	1637	1595	228.13
5	A₁	1514	1476	5.25
6	A₁	1489	1451	13.18
7	A₁	1426	1389	17.82
8	A₁	1201	1170	0.96
9	A₁	1108	1079	0.85
10	A₁	825	804	38.85
11	A₁	469	457	0.45
12	A₁	247	241	6.85
13	A₂	3070	2992	0.00
14	A₂	1503	1464	0.00
15	A₂	1149	1120	0.00
16	A₂	660	644	0.00
17	A₂	233	227	0.00
18	A₂	110	107	0.00
19	B₁	3071	2993	106.14
20	B₁	1503	1465	21.29
21	B₁	1154	1124	0.88
22	B₁	776	756	116.90
23	B₁	621	605	2.98
24	B₁	248	242	0.51
25	B₁	91	89	14.62
26	B₂	3269	3186	13.89
27	B₂	3143	3063	17.90
28	B₂	2983	2907	80.59
29	B₂	1510	1472	20.81
30	B₂	1483	1445	17.17
31	B₂	1304	1271	453.29
32	B₂	1191	1160	37.59
33	B₂	1027	1001	129.86
34	B₂	898	875	0.41
35	B₂	537	523	0.61
36	B₂	350	341	9.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.440
C2	0.000	0.000	0.077
H3	0.000	0.924	2.004
H4	0.000	-0.924	2.004
O5	0.000	1.113	-0.757
O6	0.000	-1.113	-0.757
C7	0.000	2.435	-0.128
C8	0.000	-2.435	-0.128
H9	0.000	3.144	-0.958
H10	0.000	-3.144	-0.958
H11	-0.899	2.575	0.487
H12	0.899	2.575	0.487
H13	0.899	-2.575	0.487
H14	-0.899	-2.575	0.487

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3630	1.0826	1.0826	2.4633	2.4633	2.8969	2.8969	3.9544	3.9544	2.8895	2.8895	2.8895	2.8895
C2	1.3630		2.1369	2.1369	1.3912	1.3912	2.4441	2.4441	3.3102	3.3102	2.7585	2.7585	2.7585	2.7585
H3	1.0826	2.1369		1.8486	2.7675	3.4315	2.6134	3.9793	3.7015	5.0325	2.4155	2.4155	3.9187	3.9187
H4	1.0826	2.1369	1.8486		3.4315	2.7675	3.9793	2.6134	5.0325	3.7015	3.9187	3.9187	2.4155	2.4155
O5	2.4633	1.3912	2.7675	3.4315		2.2266	1.4641	3.6040	2.0408	4.2622	2.1201	2.1201	3.9954	3.9954
O6	2.4633	1.3912	3.4315	2.7675	2.2266		3.6040	1.4641	4.2622	2.0408	3.9954	3.9954	2.1201	2.1201
C7	2.8969	2.4441	2.6134	3.9793	1.4641	3.6040		4.8709	1.0912	5.6409	1.0987	1.0987	5.1279	5.1279
C8	2.8969	2.4441	3.9793	2.6134	3.6040	1.4641	4.8709		5.6409	1.0912	5.1279	5.1279	1.0987	1.0987
H9	3.9544	3.3102	3.7015	5.0325	2.0408	4.2622	1.0912	5.6409		6.2883	1.7948	1.7948	5.9674	5.9674
H10	3.9544	3.3102	5.0325	3.7015	4.2622	2.0408	5.6409	1.0912	6.2883		5.9674	5.9674	1.7948	1.7948
H11	2.8895	2.7585	2.4155	3.9187	2.1201	3.9954	1.0987	5.1279	1.7948	5.9674		1.7986	5.4556	5.1507
H12	2.8895	2.7585	2.4155	3.9187	2.1201	3.9954	1.0987	5.1279	1.7948	5.9674	1.7986		5.1507	5.4556
H13	2.8895	2.7585	3.9187	2.4155	3.9954	2.1201	5.1279	1.0987	5.9674	1.7948	5.4556	5.1507		1.7986
H14	2.8895	2.7585	3.9187	2.4155	3.9954	2.1201	5.1279	1.0987	5.9674	1.7948	5.1507	5.4556	1.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.849	C1	C2	O6	126.849
C2	C1	H3	121.375	C2	C1	H4	121.375
C2	O5	C7	117.716	C2	O6	C8	117.716
H3	C1	H4	117.249	O5	C2	O6	106.302
O5	C7	H9	105.066	O5	C7	H11	110.830
O5	C7	H12	110.830	O6	C8	H10	105.066
O6	C8	H13	110.830	O6	C8	H14	110.830
H9	C7	H11	110.079	H9	C7	H12	110.079
H10	C8	H13	110.079	H10	C8	H14	110.079
H11	C7	H12	109.867	H13	C8	H14	109.867

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	-0.477
2	C	0.237
3	H	0.153
4	H	0.153
5	O	-0.188
6	O	-0.188
7	C	-0.350
8	C	-0.350
9	H	0.180
10	H	0.180
11	H	0.163
12	H	0.163
13	H	0.163
14	H	0.163

<r²>	161.457
(<r²>)^1/2	12.707

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-)