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	hartrees
Energy at 0K	-307.719049
Energy at 298.15K	-307.728447
Nuclear repulsion energy	248.805584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3094	0.05
2	A₁	3147	3041	29.71
3	A₁	3018	2917	9.10
4	A₁	1691	1634	257.77
5	A₁	1531	1479	6.24
6	A₁	1504	1453	11.39
7	A₁	1437	1389	15.52
8	A₁	1241	1199	3.96
9	A₁	1173	1133	0.00
10	A₁	891	861	42.48
11	A₁	503	486	0.61
12	A₁	269	260	4.77
13	A₂	3077	2973	0.00
14	A₂	1510	1459	0.00
15	A₂	1187	1147	0.00
16	A₂	678	655	0.00
17	A₂	252	243	0.00
18	A₂	133	128	0.00
19	B₁	3077	2974	92.88
20	B₁	1509	1459	18.14
21	B₁	1191	1151	1.76
22	B₁	723	699	96.96
23	B₁	680	657	3.60
24	B₁	272	263	0.12
25	B₁	101	97	9.38
26	B₂	3279	3169	7.91
27	B₂	3146	3040	19.29
28	B₂	3018	2916	72.55
29	B₂	1526	1475	17.42
30	B₂	1504	1454	38.08
31	B₂	1342	1297	494.70
32	B₂	1229	1188	19.83
33	B₂	1068	1032	123.73
34	B₂	945	913	0.38
35	B₂	565	546	0.32
36	B₂	381	368	7.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.422
C2	0.000	0.000	0.079
H3	0.000	0.920	1.986
H4	0.000	-0.920	1.986
O5	0.000	1.080	-0.730
O6	0.000	-1.080	-0.730
C7	0.000	2.360	-0.118
C8	0.000	-2.360	-0.118
H9	0.000	3.079	-0.935
H10	0.000	-3.079	-0.935
H11	-0.893	2.504	0.498
H12	0.893	2.504	0.498
H13	0.893	-2.504	0.498
H14	-0.893	-2.504	0.498

	C1	C2	H3	H4	O5	O6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.3424	1.0790	1.0790	2.4078	2.4078	2.8179	2.8179	3.8773	3.8773	2.8147	2.8147	2.8147	2.8147
C2	1.3424		2.1168	2.1168	1.3498	1.3498	2.3682	2.3682	3.2416	3.2416	2.6917	2.6917	2.6917	2.6917
H3	1.0790	2.1168		1.8395	2.7207	3.3729	2.5497	3.8966	3.6323	4.9518	2.3498	2.3498	3.8387	3.8387
H4	1.0790	2.1168	1.8395		3.3729	2.7207	3.8966	2.5497	4.9518	3.6323	3.8387	3.8387	2.3498	2.3498
O5	2.4078	1.3498	2.7207	3.3729		2.1602	1.4187	3.4941	2.0092	4.1640	2.0821	2.0821	3.8930	3.8930
O6	2.4078	1.3498	3.3729	2.7207	2.1602		3.4941	1.4187	4.1640	2.0092	3.8930	3.8930	2.0821	2.0821
C7	2.8179	2.3682	2.5497	3.8966	1.4187	3.4941		4.7199	1.0882	5.4998	1.0948	1.0948	4.9839	4.9839
C8	2.8179	2.3682	3.8966	2.5497	3.4941	1.4187	4.7199		5.4998	1.0882	4.9839	4.9839	1.0948	1.0948
H9	3.8773	3.2416	3.6323	4.9518	2.0092	4.1640	1.0882	5.4998		6.1576	1.7838	1.7838	5.8330	5.8330
H10	3.8773	3.2416	4.9518	3.6323	4.1640	2.0092	5.4998	1.0882	6.1576		5.8330	5.8330	1.7838	1.7838
H11	2.8147	2.6917	2.3498	3.8387	2.0821	3.8930	1.0948	4.9839	1.7838	5.8330		1.7863	5.3178	5.0088
H12	2.8147	2.6917	2.3498	3.8387	2.0821	3.8930	1.0948	4.9839	1.7838	5.8330	1.7863		5.0088	5.3178
H13	2.8147	2.6917	3.8387	2.3498	3.8930	2.0821	4.9839	1.0948	5.8330	1.7838	5.3178	5.0088		1.7863
H14	2.8147	2.6917	3.8387	2.3498	3.8930	2.0821	4.9839	1.0948	5.8330	1.7838	5.0088	5.3178	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	126.851	C1	C2	O6	126.851
C2	C1	H3	121.522	C2	C1	H4	121.522
C2	O5	C7	117.591	C2	O6	C8	117.591
H3	C1	H4	116.957	O5	C2	O6	106.298
O5	C7	H9	105.788	O5	C7	H11	111.218
O5	C7	H12	111.218	O6	C8	H10	105.788
O6	C8	H13	111.218	O6	C8	H14	111.218
H9	C7	H11	109.603	H9	C7	H12	109.603
H10	C8	H13	109.603	H10	C8	H14	109.603
H11	C7	H12	109.344	H13	C8	H14	109.344

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

using model chemistry: B3LYP/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	ESP
1	C	-0.662	-0.904
2	C	0.455	0.720
3	H	0.212	0.254
4	H	0.212	0.254
5	O	-0.299	-0.386
6	O	-0.299	-0.386
7	C	-0.458	0.062
8	C	-0.458	0.062
9	H	0.227	0.086
10	H	0.227	0.086
11	H	0.211	0.037
12	H	0.211	0.039
13	H	0.211	0.039
14	H	0.211	0.037

	x	y	z	Total
	0.000	0.000	1.142	1.142
CHELPG
AIM
ESP	0.015	0.000	1.183	1.183

<r²>	187.754
(<r²>)^1/2	13.702

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

using model chemistry: B3LYP/6-311G*

States and conformations

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