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	hartrees
Energy at 0K	-305.717174
Energy at 298.15K	-305.726678
Nuclear repulsion energy	246.721856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3397	3057	0.14
2	A₁	3374	3036	41.48
3	A₁	3225	2902	10.58
4	A₁	1792	1612	365.47
5	A₁	1657	1491	11.62
6	A₁	1628	1465	7.17
7	A₁	1564	1408	42.04
8	A₁	1321	1189	3.26
9	A₁	1246	1121	1.28
10	A₁	914	822	65.30
11	A₁	509	458	0.32
12	A₁	258	232	9.22
13	A₂	3310	2978	0.00
14	A₂	1651	1486	0.00
15	A₂	1273	1145	0.00
16	A₂	743	669	0.00
17	A₂	234	210	0.00
18	A₂	131	118	0.00
19	B₁	3310	2979	119.38
20	B₁	1651	1486	22.46
21	B₁	1275	1147	2.89
22	B₁	952	857	178.67
23	B₁	729	656	5.84
24	B₁	246	221	1.14
25	B₁	94	85	21.39
26	B₂	3496	3146	16.52
27	B₂	3374	3036	24.92
28	B₂	3224	2902	79.19
29	B₂	1653	1488	15.27
30	B₂	1624	1461	34.60
31	B₂	1471	1324	585.49
32	B₂	1313	1182	23.10
33	B₂	1145	1031	147.49
34	B₂	992	893	6.51
35	B₂	593	533	0.06
36	B₂	367	330	10.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.438
C2	0.000	0.000	0.098
H3	0.000	0.911	1.996
H4	0.000	-0.911	1.996
O5	0.000	1.093	-0.704
O6	0.000	-1.093	-0.704
C7	0.000	2.417	-0.147
C8	0.000	-2.417	-0.147
H9	0.000	3.081	-0.994
H10	0.000	-3.081	-0.994
H11	-0.887	2.580	0.452
H12	0.887	2.580	0.452
H13	0.887	-2.580	0.452
H14	-0.887	-2.580	0.452

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3401	1.0685	1.0685	2.4046	2.4046	2.8906	2.8906	3.9255	3.9255	2.9009	2.9009	2.9009	2.9009
C2	1.3401		2.1055	2.1055	1.3556	1.3556	2.4294	2.4294	3.2691	3.2691	2.7512	2.7512	2.7512	2.7512
H3	1.0685	2.1055		1.8225	2.7059	3.3625	2.6195	3.9587	3.6945	4.9881	2.4403	2.4403	3.9192	3.9192
H4	1.0685	2.1055	1.8225		3.3625	2.7059	3.9587	2.6195	4.9881	3.6945	3.9192	3.9192	2.4403	2.4403
O5	2.4046	1.3556	2.7059	3.3625		2.1863	1.4359	3.5539	2.0093	4.1846	2.0817	2.0817	3.9517	3.9517
O6	2.4046	1.3556	3.3625	2.7059	2.1863		3.5539	1.4359	4.1846	2.0093	3.9517	3.9517	2.0817	2.0817
C7	2.8906	2.4294	2.6195	3.9587	1.4359	3.5539		4.8339	1.0761	5.5631	1.0828	1.0828	5.1105	5.1105
C8	2.8906	2.4294	3.9587	2.6195	3.5539	1.4359	4.8339		5.5631	1.0761	5.1105	5.1105	1.0828	1.0828
H9	3.9255	3.2691	3.6945	4.9881	2.0093	4.1846	1.0761	5.5631		6.1627	1.7688	1.7688	5.9102	5.9102
H10	3.9255	3.2691	4.9881	3.6945	4.1846	2.0093	5.5631	1.0761	6.1627		5.9102	5.9102	1.7688	1.7688
H11	2.9009	2.7512	2.4403	3.9192	2.0817	3.9517	1.0828	5.1105	1.7688	5.9102		1.7732	5.4566	5.1604
H12	2.9009	2.7512	2.4403	3.9192	2.0817	3.9517	1.0828	5.1105	1.7688	5.9102	1.7732		5.1604	5.4566
H13	2.9009	2.7512	3.9192	2.4403	3.9517	2.0817	5.1105	1.0828	5.9102	1.7688	5.4566	5.1604		1.7732
H14	2.9009	2.7512	3.9192	2.4403	3.9517	2.0817	5.1105	1.0828	5.9102	1.7688	5.1604	5.4566	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.254	C1	C2	O6	126.254
C2	C1	H3	121.480	C2	C1	H4	121.480
C2	O5	C7	120.956	C2	O6	C8	120.956
H3	C1	H4	117.041	O5	C2	O6	107.493
O5	C7	H9	105.336	O5	C7	H11	110.703
O5	C7	H12	110.703	O6	C8	H10	105.336
O6	C8	H13	110.703	O6	C8	H14	110.703
H9	C7	H11	110.036	H9	C7	H12	110.036
H10	C8	H13	110.036	H10	C8	H14	110.036
H11	C7	H12	109.941	H13	C8	H14	109.941

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

using model chemistry: HF/LANL2DZ

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	-0.672
2	C	0.661
3	H	0.199
4	H	0.199
5	O	-0.469
6	O	-0.469
7	C	-0.323
8	C	-0.323
9	H	0.218
10	H	0.218
11	H	0.190
12	H	0.190
13	H	0.190
14	H	0.190

<r²>	192.706
(<r²>)^1/2	13.882

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

using model chemistry: HF/LANL2DZ

States and conformations

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