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	hartrees
Energy at 0K	-307.524737
Energy at 298.15K	-307.534513
Nuclear repulsion energy	249.819441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3106	1.57
2	A₁	3173	3050	18.75
3	A₁	3025	2907	6.10
4	A₁	1729	1662	256.89
5	A₁	1510	1452	0.21
6	A₁	1467	1410	15.56
7	A₁	1412	1357	7.55
8	A₁	1244	1196	4.14
9	A₁	1202	1155	1.65
10	A₁	911	876	39.62
11	A₁	512	492	0.29
12	A₁	304	292	4.58
13	A₂	3100	2980	0.00
14	A₂	1476	1419	0.00
15	A₂	1165	1120	0.00
16	A₂	676	650	0.00
17	A₂	344	331	0.00
18	A₂	145	139	0.00
19	B₁	3101	2981	70.01
20	B₁	1476	1419	15.02
21	B₁	1169	1124	1.61
22	B₁	713	686	73.94
23	B₁	685	658	9.66
24	B₁	363	349	0.05
25	B₁	108	104	8.13
26	B₂	3327	3198	4.15
27	B₂	3173	3050	15.30
28	B₂	3024	2907	65.71
29	B₂	1493	1435	75.86
30	B₂	1482	1424	25.83
31	B₂	1370	1317	485.50
32	B₂	1219	1172	7.54
33	B₂	1099	1056	97.72
34	B₂	973	936	0.70
35	B₂	576	553	0.01
36	B₂	427	410	6.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.415
C2	0.000	0.000	0.071
H3	0.000	0.929	1.975
H4	0.000	-0.929	1.975
O5	0.000	1.075	-0.736
O6	0.000	-1.075	-0.736
C7	0.000	2.337	-0.110
C8	0.000	-2.337	-0.110
H9	0.000	3.077	-0.918
H10	0.000	-3.077	-0.918
H11	-0.897	2.475	0.515
H12	0.897	2.475	0.515
H13	0.897	-2.475	0.515
H14	-0.897	-2.475	0.515

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3443	1.0849	1.0849	2.4050	2.4050	2.7912	2.7912	3.8614	3.8614	2.7820	2.7820	2.7820	2.7820
C2	1.3443		2.1187	2.1187	1.3443	1.3443	2.3443	2.3443	3.2319	3.2319	2.6694	2.6694	2.6694	2.6694
H3	1.0849	2.1187		1.8588	2.7148	3.3716	2.5161	3.8756	3.6027	4.9415	2.3075	2.3075	3.8111	3.8111
H4	1.0849	2.1187	1.8588		3.3716	2.7148	3.8756	2.5161	4.9415	3.6027	3.8111	3.8111	2.3075	2.3075
O5	2.4050	1.3443	2.7148	3.3716		2.1504	1.4086	3.4694	2.0100	4.1561	2.0803	2.0803	3.8693	3.8693
O6	2.4050	1.3443	3.3716	2.7148	2.1504		3.4694	1.4086	4.1561	2.0100	3.8693	3.8693	2.0803	2.0803
C7	2.7912	2.3443	2.5161	3.8756	1.4086	3.4694		4.6746	1.0949	5.4741	1.1019	1.1019	4.9347	4.9347
C8	2.7912	2.3443	3.8756	2.5161	3.4694	1.4086	4.6746		5.4741	1.0949	4.9347	4.9347	1.1019	1.1019
H9	3.8614	3.2319	3.6027	4.9415	2.0100	4.1561	1.0949	5.4741		6.1539	1.7942	1.7942	5.8033	5.8033
H10	3.8614	3.2319	4.9415	3.6027	4.1561	2.0100	5.4741	1.0949	6.1539		5.8033	5.8033	1.7942	1.7942
H11	2.7820	2.6694	2.3075	3.8111	2.0803	3.8693	1.1019	4.9347	1.7942	5.8033		1.7937	5.2645	4.9496
H12	2.7820	2.6694	2.3075	3.8111	2.0803	3.8693	1.1019	4.9347	1.7942	5.8033	1.7937		4.9496	5.2645
H13	2.7820	2.6694	3.8111	2.3075	3.8693	2.0803	4.9347	1.1019	5.8033	1.7942	5.2645	4.9496		1.7937
H14	2.7820	2.6694	3.8111	2.3075	3.8693	2.0803	4.9347	1.1019	5.8033	1.7942	4.9496	5.2645	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.886	C1	C2	O6	126.886
C2	C1	H3	121.055	C2	C1	H4	121.055
C2	O5	C7	116.749	C2	O6	C8	116.749
H3	C1	H4	117.889	O5	C2	O6	106.227
O5	C7	H9	106.128	O5	C7	H11	111.331
O5	C7	H12	111.331	O6	C8	H10	106.128
O6	C8	H13	111.331	O6	C8	H14	111.331
H9	C7	H11	109.519	H9	C7	H12	109.519
H10	C8	H13	109.519	H10	C8	H14	109.519
H11	C7	H12	108.963	H13	C8	H14	108.963

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

using model chemistry: B1B95/cc-pVDZ

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	-0.184
2	C	0.222
3	H	0.018
4	H	0.018
5	O	-0.253
6	O	-0.253
7	C	0.085
8	C	0.085
9	H	0.050
10	H	0.050
11	H	0.040
12	H	0.040
13	H	0.040
14	H	0.040

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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