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	hartrees
Energy at 0K	-307.577527
Energy at 298.15K	-307.587144
Nuclear repulsion energy	250.420440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3085	0.32
2	A₁	3172	3040	27.04
3	A₁	3032	2906	9.61
4	A₁	1715	1644	266.29
5	A₁	1534	1471	2.63
6	A₁	1500	1438	18.53
7	A₁	1426	1367	8.79
8	A₁	1253	1201	3.49
9	A₁	1200	1151	0.52
10	A₁	908	871	43.48
11	A₁	510	489	0.51
12	A₁	284	272	4.43
13	A₂	3096	2968	0.00
14	A₂	1516	1453	0.00
15	A₂	1192	1142	0.00
16	A₂	679	651	0.00
17	A₂	307	295	0.00
18	A₂	142	136	0.00
19	B₁	3097	2969	88.05
20	B₁	1516	1453	19.55
21	B₁	1196	1146	1.42
22	B₁	720	691	94.82
23	B₁	685	656	9.49
24	B₁	328	315	0.02
25	B₁	107	103	9.11
26	B₂	3301	3164	6.40
27	B₂	3172	3040	19.08
28	B₂	3031	2906	68.61
29	B₂	1528	1465	28.61
30	B₂	1509	1447	47.97
31	B₂	1369	1313	510.78
32	B₂	1236	1185	9.94
33	B₂	1091	1045	99.27
34	B₂	955	915	1.16
35	B₂	561	538	0.40
36	B₂	396	380	7.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.407
C2	0.000	0.000	0.068
H3	0.000	0.920	1.969
H4	0.000	-0.920	1.969
O5	0.000	1.076	-0.734
O6	0.000	-1.076	-0.734
C7	0.000	2.336	-0.106
C8	0.000	-2.336	-0.106
H9	0.000	3.070	-0.907
H10	0.000	-3.070	-0.907
H11	-0.892	2.468	0.513
H12	0.892	2.468	0.513
H13	0.892	-2.468	0.513
H14	-0.892	-2.468	0.513

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3394	1.0781	1.0781	2.3963	2.3963	2.7833	2.7833	3.8447	3.8447	2.7721	2.7721	2.7721	2.7721
C2	1.3394		2.1124	2.1124	1.3416	1.3416	2.3425	2.3425	3.2212	3.2212	2.6617	2.6617	2.6617	2.6617
H3	1.0781	2.1124		1.8397	2.7081	3.3602	2.5125	3.8611	3.5913	4.9188	2.3047	2.3047	3.7937	3.7937
H4	1.0781	2.1124	1.8397		3.3602	2.7081	3.8611	2.5125	4.9188	3.5913	3.7937	3.7937	2.3047	2.3047
O5	2.3963	1.3416	2.7081	3.3602		2.1511	1.4084	3.4690	2.0021	4.1493	2.0713	2.0713	3.8611	3.8611
O6	2.3963	1.3416	3.3602	2.7081	2.1511		3.4690	1.4084	4.1493	2.0021	3.8611	3.8611	2.0713	2.0713
C7	2.7833	2.3425	2.5125	3.8611	1.4084	3.4690		4.6721	1.0866	5.4653	1.0936	1.0936	4.9252	4.9252
C8	2.7833	2.3425	3.8611	2.5125	3.4690	1.4084	4.6721		5.4653	1.0866	4.9252	4.9252	1.0936	1.0936
H9	3.8447	3.2212	3.5913	4.9188	2.0021	4.1493	1.0866	5.4653		6.1404	1.7819	1.7819	5.7865	5.7865
H10	3.8447	3.2212	4.9188	3.5913	4.1493	2.0021	5.4653	1.0866	6.1404		5.7865	5.7865	1.7819	1.7819
H11	2.7721	2.6617	2.3047	3.7937	2.0713	3.8611	1.0936	4.9252	1.7819	5.7865		1.7833	5.2482	4.9360
H12	2.7721	2.6617	2.3047	3.7937	2.0713	3.8611	1.0936	4.9252	1.7819	5.7865	1.7833		4.9360	5.2482
H13	2.7721	2.6617	3.7937	2.3047	3.8611	2.0713	4.9252	1.0936	5.7865	1.7819	5.2482	4.9360		1.7833
H14	2.7721	2.6617	3.7937	2.3047	3.8611	2.0713	4.9252	1.0936	5.7865	1.7819	4.9360	5.2482	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.710	C1	C2	O6	126.710
C2	C1	H3	121.434	C2	C1	H4	121.434
C2	O5	C7	116.800	C2	O6	C8	116.800
H3	C1	H4	117.132	O5	C2	O6	106.580
O5	C7	H9	106.013	O5	C7	H11	111.136
O5	C7	H12	111.136	O6	C8	H10	106.013
O6	C8	H13	111.136	O6	C8	H14	111.136
H9	C7	H11	109.635	H9	C7	H12	109.635
H10	C8	H13	109.635	H10	C8	H14	109.635
H11	C7	H12	109.233	H13	C8	H14	109.233

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

using model chemistry: B1B95/6-311G*

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	-0.691
2	C	0.461
3	H	0.226
4	H	0.226
5	O	-0.293
6	O	-0.293
7	C	-0.501
8	C	-0.501
9	H	0.236
10	H	0.236
11	H	0.223
12	H	0.223
13	H	0.223
14	H	0.223

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-311G*

States and conformations

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