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	hartrees
Energy at 0K	-307.765910
Energy at 298.15K	-307.775293
Nuclear repulsion energy	249.118159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3101	0.47
2	A₁	3134	3029	21.39
3	A₁	3014	2913	7.64
4	A₁	1684	1628	263.28
5	A₁	1515	1464	4.73
6	A₁	1489	1439	10.94
7	A₁	1427	1379	16.19
8	A₁	1231	1190	4.44
9	A₁	1167	1128	0.04
10	A₁	889	860	38.57
11	A₁	503	486	0.53
12	A₁	266	257	4.94
13	A₂	3071	2968	0.00
14	A₂	1493	1443	0.00
15	A₂	1178	1139	0.00
16	A₂	678	656	0.00
17	A₂	236	228	0.00
18	A₂	138	133	0.00
19	B₁	3071	2969	69.33
20	B₁	1493	1443	16.93
21	B₁	1182	1143	2.73
22	B₁	735	710	79.90
23	B₁	681	658	2.60
24	B₁	253	244	0.11
25	B₁	103	100	8.44
26	B₂	3288	3179	3.94
27	B₂	3134	3029	15.53
28	B₂	3014	2913	68.55
29	B₂	1509	1459	16.78
30	B₂	1492	1443	41.89
31	B₂	1335	1291	476.39
32	B₂	1219	1179	18.50
33	B₂	1061	1026	123.08
34	B₂	941	910	0.28
35	B₂	564	545	0.30
36	B₂	378	365	7.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.419
C2	0.000	0.000	0.079
H3	0.000	0.920	1.976
H4	0.000	-0.920	1.976
O5	0.000	1.079	-0.728
O6	0.000	-1.079	-0.728
C7	0.000	2.359	-0.118
C8	0.000	-2.359	-0.118
H9	0.000	3.078	-0.933
H10	0.000	-3.078	-0.933
H11	-0.891	2.503	0.498
H12	0.891	2.503	0.498
H13	0.891	-2.503	0.498
H14	-0.891	-2.503	0.498

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3396	1.0755	1.0755	2.4030	2.4030	2.8159	2.8159	3.8737	3.8737	2.8119	2.8119	2.8119	2.8119
C2	1.3396		2.1081	2.1081	1.3476	1.3476	2.3676	2.3676	3.2402	3.2402	2.6893	2.6893	2.6893	2.6893
H3	1.0755	2.1081		1.8398	2.7092	3.3629	2.5413	3.8910	3.6221	4.9443	2.3422	2.3422	3.8334	3.8334
H4	1.0755	2.1081	1.8398		3.3629	2.7092	3.8910	2.5413	4.9443	3.6221	3.8334	3.8334	2.3422	2.3422
O5	2.4030	1.3476	2.7092	3.3629		2.1574	1.4186	3.4918	2.0098	4.1618	2.0795	2.0795	3.8888	3.8888
O6	2.4030	1.3476	3.3629	2.7092	2.1574		3.4918	1.4186	4.1618	2.0098	3.8888	3.8888	2.0795	2.0795
C7	2.8159	2.3676	2.5413	3.8910	1.4186	3.4918		4.7187	1.0864	5.4981	1.0924	1.0924	4.9812	4.9812
C8	2.8159	2.3676	3.8910	2.5413	3.4918	1.4186	4.7187		5.4981	1.0864	4.9812	4.9812	1.0924	1.0924
H9	3.8737	3.2402	3.6221	4.9443	2.0098	4.1618	1.0864	5.4981		6.1562	1.7806	1.7806	5.8296	5.8296
H10	3.8737	3.2402	4.9443	3.6221	4.1618	2.0098	5.4981	1.0864	6.1562		5.8296	5.8296	1.7806	1.7806
H11	2.8119	2.6893	2.3422	3.8334	2.0795	3.8888	1.0924	4.9812	1.7806	5.8296		1.7820	5.3132	5.0054
H12	2.8119	2.6893	2.3422	3.8334	2.0795	3.8888	1.0924	4.9812	1.7806	5.8296	1.7820		5.0054	5.3132
H13	2.8119	2.6893	3.8334	2.3422	3.8888	2.0795	4.9812	1.0924	5.8296	1.7806	5.3132	5.0054		1.7820
H14	2.8119	2.6893	3.8334	2.3422	3.8888	2.0795	4.9812	1.0924	5.8296	1.7806	5.0054	5.3132	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.826	C1	C2	O6	126.826
C2	C1	H3	121.203	C2	C1	H4	121.203
C2	O5	C7	117.696	C2	O6	C8	117.696
H3	C1	H4	117.595	O5	C2	O6	106.348
O5	C7	H9	105.943	O5	C7	H11	111.154
O5	C7	H12	111.154	O6	C8	H10	105.943
O6	C8	H13	111.154	O6	C8	H14	111.154
H9	C7	H11	109.616	H9	C7	H12	109.616
H10	C8	H13	109.616	H10	C8	H14	109.616
H11	C7	H12	109.299	H13	C8	H14	109.299

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

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	C	-0.470	-0.841
2	C	0.312	0.673
3	H	0.110	0.235
4	H	0.110	0.235
5	O	-0.206	-0.369
6	O	-0.206	-0.369
7	C	-0.098	0.096
8	C	-0.098	0.096
9	H	0.113	0.073
10	H	0.113	0.073
11	H	0.080	0.024
12	H	0.080	0.026
13	H	0.080	0.026
14	H	0.080	0.024

	x	y	z	Total
	0.000	0.000	0.995	0.995
CHELPG
AIM
ESP	0.015	0.000	1.038	1.039

<r²>	187.531
(<r²>)^1/2	13.694

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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