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	hartrees
Energy at 0K	-307.388808
Energy at 298.15K	-307.400398
Nuclear repulsion energy	269.765794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3068	3035	6.68
2	A	3057	3023	11.62
3	A	2974	2942	8.21
4	A	2939	2907	78.36
5	A	2890	2859	47.53
6	A	2752	2722	82.85
7	A	1434	1418	6.62
8	A	1426	1411	3.08
9	A	1402	1386	27.94
10	A	1389	1374	4.10
11	A	1338	1323	72.75
12	A	1307	1292	5.74
13	A	1241	1227	13.51
14	A	1169	1156	31.23
15	A	1136	1123	2.72
16	A	1096	1084	13.23
17	A	1072	1060	37.67
18	A	836	827	6.70
19	A	530	525	5.37
20	A	449	444	9.45
21	A	247	245	2.50
22	A	201	198	1.91
23	A	77	77	3.38
24	A	3057	3023	7.45
25	A	3055	3022	18.77
26	A	2937	2905	10.93
27	A	2889	2857	65.52
28	A	1438	1422	5.70
29	A	1413	1397	20.39
30	A	1404	1388	9.03
31	A	1392	1377	1.04
32	A	1312	1298	53.90
33	A	1196	1183	376.29
34	A	1146	1134	25.78
35	A	1133	1120	0.55
36	A	1074	1062	1.22
37	A	900	890	2.69
38	A	465	459	3.30
39	A	346	342	0.58
40	A	244	241	0.00
41	A	201	198	0.00
42	A	65	64	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	-0.409	-0.588	1.096
O2	-0.409	-0.588	-1.096
C3	-0.409	0.142	2.281
C4	-0.409	0.142	-2.281
C5	0.001	0.156	0.000
C6	1.487	0.384	0.000
H7	0.609	0.432	2.605
H8	0.609	0.432	-2.605
H9	-0.851	-0.493	3.059
H10	-0.851	-0.493	-3.059
H11	-1.015	1.066	2.186
H12	-1.015	1.066	-2.186
H13	-0.540	1.141	0.000
H14	1.990	-0.593	0.000
H15	1.800	0.954	-0.886
H16	1.800	0.954	0.886

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.1927	1.3910	3.4548	1.3873	2.3963	2.0864	3.9722	2.0141	4.1799	2.0713	3.7252	2.0518	2.6378	3.3454	2.7028
O2	2.1927		3.4548	1.3910	1.3873	2.3963	3.9722	2.0864	4.1799	2.0141	3.7252	2.0713	2.0518	2.6378	2.7028	3.3454
C3	1.3910	3.4548		4.5611	2.3172	2.9756	1.1073	4.9992	1.0971	5.3953	1.1090	4.6013	2.4935	3.3906	3.9461	2.7362
C4	3.4548	1.3910	4.5611		2.3172	2.9756	4.9992	1.1073	5.3953	1.0971	4.6013	1.1090	2.4935	3.3906	2.7362	3.9461
C5	1.3873	1.3873	2.3172	2.3172		1.5031	2.6894	2.6894	3.2412	3.2412	2.5765	2.5765	1.1239	2.1253	2.1587	2.1587
C6	2.3963	2.3963	2.9756	2.9756	1.5031		2.7496	2.7496	3.9488	3.9488	3.3912	3.3912	2.1636	1.0990	1.0992	1.0992
H7	2.0864	3.9722	1.1073	4.9992	2.6894	2.7496		5.2105	1.7866	5.9220	1.7927	5.0986	2.9345	3.1215	3.7261	2.1559
H8	3.9722	2.0864	4.9992	1.1073	2.6894	2.7496	5.2105		5.9220	1.7866	5.0986	1.7927	2.9345	3.1215	2.1559	3.7261
H9	2.0141	4.1799	1.0971	5.3953	3.2412	3.9488	1.7866	5.9220		6.1181	1.7939	5.4743	3.4820	4.1762	4.9689	3.7210
H10	4.1799	2.0141	5.3953	1.0971	3.2412	3.9488	5.9220	1.7866	6.1181		5.4743	1.7939	3.4820	4.1762	3.7210	4.9689
H11	2.0713	3.7252	1.1090	4.6013	2.5765	3.3912	1.7927	5.0986	1.7939	5.4743		4.3723	2.2383	4.0691	4.1686	3.1028
H12	3.7252	2.0713	4.6013	1.1090	2.5765	3.3912	5.0986	1.7927	5.4743	1.7939	4.3723		2.2383	4.0691	3.1028	4.1686
H13	2.0518	2.0518	2.4935	2.4935	1.1239	2.1636	2.9345	2.9345	3.4820	3.4820	2.2383	2.2383		3.0673	2.5100	2.5100
H14	2.6378	2.6378	3.3906	3.3906	2.1253	1.0990	3.1215	3.1215	4.1762	4.1762	4.0691	4.0691	3.0673		1.7925	1.7925
H15	3.3454	2.7028	3.9461	2.7362	2.1587	1.0992	3.7261	2.1559	4.9689	3.7210	4.1686	3.1028	2.5100	1.7925		1.7725
H16	2.7028	3.3454	2.7362	3.9461	2.1587	1.0992	2.1559	3.7261	3.7210	4.9689	3.1028	4.1686	2.5100	1.7925	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.772	O1	C3	H9	107.508
O1	C3	H11	111.397	O1	C5	O2	104.426
O1	C5	C6	111.944	O1	C5	H13	109.143
O2	C4	H8	112.772	O2	C4	H10	107.508
O2	C4	H12	111.397	O2	C5	C6	111.944
O2	C5	H13	109.143	C3	O1	C5	113.034
C4	O2	C5	113.034	C5	C6	H14	108.530
C5	C6	H15	111.152	C5	C6	H16	111.152
C6	C5	H13	110.062	H7	C3	H9	108.284
H7	C3	H11	107.973	H8	C4	H10	108.284
H8	C4	H12	107.973	H9	C3	H11	108.802
H10	C4	H12	108.802	H14	C6	H15	109.257
H14	C6	H16	109.257	H15	C6	H16	107.462

All results from a given calculation for C₄H₁₀O₂ (1,1-Dimethoxyethane)

using model chemistry: LSDA/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
1	O	-0.187
2	O	-0.187
3	C	-0.175
4	C	-0.175
5	C	0.175
6	C	-0.347
7	H	0.074
8	H	0.074
9	H	0.127
10	H	0.127
11	H	0.071
12	H	0.071
13	H	0.011
14	H	0.130
15	H	0.106
16	H	0.106

	x	y	z	Total
	0.693	2.016	0.000	2.131
CHELPG
AIM
ESP

	x	y	z
x	8.674	-0.064	0.000
y	-0.064	8.022	0.000
z	0.000	0.000	11.038

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H10O2 (1,1-Dimethoxyethane)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₁₀O₂ (1,1-Dimethoxyethane)