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	hartrees
Energy at 0K	-307.641635
Energy at 298.15K	-307.650965
Nuclear repulsion energy	248.574174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3096	0.26
2	A₁	3163	3030	25.61
3	A₁	3034	2906	7.26
4	A₁	1716	1644	228.17
5	A₁	1541	1476	4.00
6	A₁	1509	1446	8.48
7	A₁	1446	1386	13.49
8	A₁	1242	1189	4.31
9	A₁	1184	1134	0.09
10	A₁	897	859	39.11
11	A₁	504	483	0.33
12	A₁	269	257	4.53
13	A₂	3093	2963	0.00
14	A₂	1518	1454	0.00
15	A₂	1188	1138	0.00
16	A₂	679	651	0.00
17	A₂	243	233	0.00
18	A₂	126	121	0.00
19	B₁	3094	2964	82.02
20	B₁	1517	1453	11.99
21	B₁	1193	1143	1.90
22	B₁	720	690	91.47
23	B₁	676	647	0.00
24	B₁	263	252	0.06
25	B₁	98	94	9.06
26	B₂	3308	3169	6.52
27	B₂	3162	3030	18.12
28	B₂	3033	2906	67.79
29	B₂	1537	1472	16.10
30	B₂	1513	1449	36.47
31	B₂	1360	1303	490.58
32	B₂	1228	1177	19.48
33	B₂	1079	1034	112.09
34	B₂	950	910	0.29
35	B₂	562	538	0.16
36	B₂	381	365	8.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.423
C2	0.000	0.000	0.078
H3	0.000	0.922	1.986
H4	0.000	-0.922	1.986
O5	0.000	1.082	-0.734
O6	0.000	-1.082	-0.734
C7	0.000	2.358	-0.116
C8	0.000	-2.358	-0.116
H9	0.000	3.085	-0.930
H10	0.000	-3.085	-0.930
H11	-0.894	2.499	0.505
H12	0.894	2.499	0.505
H13	0.894	-2.499	0.505
H14	-0.894	-2.499	0.505

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3444	1.0803	1.0803	2.4134	2.4134	2.8157	2.8157	3.8795	3.8795	2.8086	2.8086	2.8086	2.8086
C2	1.3444		2.1185	2.1185	1.3532	1.3532	2.3663	2.3663	3.2454	3.2454	2.6884	2.6884	2.6884	2.6884
H3	1.0803	2.1185		1.8442	2.7249	3.3787	2.5452	3.8956	3.6301	4.9553	2.3410	2.3410	3.8338	3.8338
H4	1.0803	2.1185	1.8442		3.3787	2.7249	3.8956	2.5452	4.9553	3.6301	3.8338	3.8338	2.3410	2.3410
O5	2.4134	1.3532	2.7249	3.3787		2.1638	1.4186	3.4954	2.0124	4.1713	2.0842	2.0842	3.8935	3.8935
O6	2.4134	1.3532	3.3787	2.7249	2.1638		3.4954	1.4186	4.1713	2.0124	3.8935	3.8935	2.0842	2.0842
C7	2.8157	2.3663	2.5452	3.8956	1.4186	3.4954		4.7166	1.0912	5.5037	1.0974	1.0974	4.9779	4.9779
C8	2.8157	2.3663	3.8956	2.5452	3.4954	1.4186	4.7166		5.5037	1.0912	4.9779	4.9779	1.0974	1.0974
H9	3.8795	3.2454	3.6301	4.9553	2.0124	4.1713	1.0912	5.5037		6.1696	1.7890	1.7890	5.8342	5.8342
H10	3.8795	3.2454	4.9553	3.6301	4.1713	2.0124	5.5037	1.0912	6.1696		5.8342	5.8342	1.7890	1.7890
H11	2.8086	2.6884	2.3410	3.8338	2.0842	3.8935	1.0974	4.9779	1.7890	5.8342		1.7888	5.3087	4.9983
H12	2.8086	2.6884	2.3410	3.8338	2.0842	3.8935	1.0974	4.9779	1.7890	5.8342	1.7888		4.9983	5.3087
H13	2.8086	2.6884	3.8338	2.3410	3.8935	2.0842	4.9779	1.0974	5.8342	1.7890	5.3087	4.9983		1.7888
H14	2.8086	2.6884	3.8338	2.3410	3.8935	2.0842	4.9779	1.0974	5.8342	1.7890	4.9983	5.3087	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.920	C1	C2	O6	126.920
C2	C1	H3	121.404	C2	C1	H4	121.404
C2	O5	C7	117.211	C2	O6	C8	117.211
H3	C1	H4	117.193	O5	C2	O6	106.161
O5	C7	H9	105.873	O5	C7	H11	111.226
O5	C7	H12	111.226	O6	C8	H10	105.873
O6	C8	H13	111.226	O6	C8	H14	111.226
H9	C7	H11	109.647	H9	C7	H12	109.647
H10	C8	H13	109.647	H10	C8	H14	109.647
H11	C7	H12	109.167	H13	C8	H14	109.167

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

using model chemistry: B3LYPultrafine/6-31G*

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	-0.503
2	C	0.624
3	H	0.139
4	H	0.139
5	O	-0.463
6	O	-0.463
7	C	-0.216
8	C	-0.216
9	H	0.170
10	H	0.170
11	H	0.155
12	H	0.155
13	H	0.155
14	H	0.155

<r²>	187.460
(<r²>)^1/2	13.692

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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