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	hartrees
Energy at 0K	-303.131076
Energy at 298.15K	-303.142621
Nuclear repulsion energy	263.575839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3768	3077	0.08
2	A	3719	3036	1.99
3	A	3686	3009	14.73
4	A	3580	2923	0.25
5	A	3533	2885	12.81
6	A	3521	2875	6.30
7	A	1827	1492	2.23
8	A	1826	1491	0.23
9	A	1809	1477	7.31
10	A	1764	1441	0.90
11	A	1720	1404	9.25
12	A	1628	1329	47.18
13	A	1465	1196	2.84
14	A	1391	1136	5.61
15	A	1312	1071	12.38
16	A	1287	1051	18.06
17	A	1225	1000	8.22
18	A	993	811	0.43
19	A	575	469	3.44
20	A	469	383	11.25
21	A	286	233	1.09
22	A	202	165	1.05
23	A	71	58	3.33
24	A	3764	3073	0.35
25	A	3718	3036	0.01
26	A	3685	3009	1.04
27	A	3521	2875	9.68
28	A	1827	1492	5.72
29	A	1819	1485	1.46
30	A	1810	1478	0.00
31	A	1762	1439	10.66
32	A	1648	1345	145.08
33	A	1427	1165	54.62
34	A	1363	1113	0.00
35	A	1311	1070	0.42
36	A	1278	1043	0.06
37	A	1094	893	0.24
38	A	553	451	0.28
39	A	377	308	0.75
40	A	240	196	0.07
41	A	175	143	0.00
42	A	49	40	0.15

Atom	x (Å)	y (Å)	z (Å)
O1	-0.474	-0.554	1.123
O2	-0.474	-0.554	-1.123
C3	-0.474	0.265	2.298
C4	-0.474	0.265	-2.298
C5	0.086	0.149	0.000
C6	1.642	0.090	0.000
H7	0.535	0.524	2.635
H8	0.535	0.524	-2.635
H9	-0.959	-0.310	3.088
H10	-0.959	-0.310	-3.088
H11	-1.034	1.194	2.152
H12	-1.034	1.194	-2.152
H13	-0.241	1.204	0.000
H14	1.967	-0.945	0.000
H15	2.041	0.584	-0.879
H16	2.041	0.584	0.879

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2450	1.4325	3.5171	1.4376	2.4797	2.1128	4.0366	2.0394	4.2457	2.1043	3.7536	2.0987	2.7152	3.4092	2.7707
O2	2.2450		3.5171	1.4325	1.4376	2.4797	4.0366	2.1128	4.2457	2.0394	3.7536	2.1043	2.0987	2.7152	2.7707	3.4092
C3	1.4325	3.5171		4.5958	2.3680	3.1283	1.0941	5.0412	1.0914	5.4385	1.0948	4.5799	2.4933	3.5644	4.0640	2.9049
C4	3.5171	1.4325	4.5958		2.3680	3.1283	5.0412	1.0941	5.4385	1.0914	4.5799	1.0948	2.4933	3.5644	2.9049	4.0640
C5	1.4376	1.4376	2.3680	2.3680		1.5569	2.6988	2.6988	3.2924	3.2924	2.6414	2.6414	1.1050	2.1764	2.1871	2.1871
C6	2.4797	2.4797	3.1283	3.1283	1.5569		2.8906	2.8906	4.0573	4.0573	3.6069	3.6069	2.1877	1.0850	1.0845	1.0845
H7	2.1128	4.0366	1.0941	5.0412	2.6988	2.8906		5.2693	1.7699	5.9731	1.7731	5.0813	2.8295	3.3395	3.8232	2.3141
H8	4.0366	2.1128	5.0412	1.0941	2.6988	2.8906	5.2693		5.9731	1.7699	5.0813	1.7731	2.8295	3.3395	2.3141	3.8232
H9	2.0394	4.2457	1.0914	5.4385	3.2924	4.0573	1.7699	5.9731		6.1765	1.7735	5.4521	3.5137	4.3018	5.0535	3.8317
H10	4.2457	2.0394	5.4385	1.0914	3.2924	4.0573	5.9731	1.7699	6.1765		5.4521	1.7735	3.5137	4.3018	3.8317	5.0535
H11	2.1043	3.7536	1.0948	4.5799	2.6414	3.6069	1.7731	5.0813	1.7735	5.4521		4.3033	2.2933	4.2680	4.3602	3.3834
H12	3.7536	2.1043	4.5799	1.0948	2.6414	3.6069	5.0813	1.7731	5.4521	1.7735	4.3033		2.2933	4.2680	3.3834	4.3602
H13	2.0987	2.0987	2.4933	2.4933	1.1050	2.1877	2.8295	2.8295	3.5137	3.5137	2.2933	2.2933		3.0817	2.5224	2.5224
H14	2.7152	2.7152	3.5644	3.5644	2.1764	1.0850	3.3395	3.3395	4.3018	4.3018	4.2680	4.2680	3.0817		1.7656	1.7656
H15	3.4092	2.7707	4.0640	2.9049	2.1871	1.0845	3.8232	2.3141	5.0535	3.8317	4.3602	3.3834	2.5224	1.7656		1.7576
H16	2.7707	3.4092	2.9049	4.0640	2.1871	1.0845	2.3141	3.8232	3.8317	5.0535	3.3834	4.3602	2.5224	1.7656	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.804	O1	C3	H9	107.035
O1	C3	H11	112.054	O1	C5	O2	102.676
O1	C5	C6	111.745	O1	C5	H13	110.587
O2	C4	H8	112.804	O2	C4	H10	107.035
O2	C4	H12	112.054	O2	C5	C6	111.745
O2	C5	H13	110.587	C3	O1	C5	111.188
C4	O2	C5	111.188	C5	C6	H14	109.641
C5	C6	H15	110.514	C5	C6	H16	110.514
C6	C5	H13	109.376	H7	C3	H9	108.159
H7	C3	H11	108.202	H8	C4	H10	108.159
H8	C4	H12	108.202	H9	C3	H11	108.436
H10	C4	H12	108.436	H14	C6	H15	108.939
H14	C6	H16	108.939	H15	C6	H16	108.252

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

using model chemistry: HF/STO-3G

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	-0.242
2	O	-0.242
3	C	-0.066
4	C	-0.066
5	C	0.197
6	C	-0.201
7	H	0.057
8	H	0.057
9	H	0.074
10	H	0.074
11	H	0.057
12	H	0.057
13	H	0.044
14	H	0.076
15	H	0.064
16	H	0.064

	x	y	z	Total
	0.982	2.403	0.000	2.596
CHELPG
AIM
ESP

	x	y	z
x	3.439	0.016	0.000
y	0.016	3.244	0.000
z	0.000	0.000	5.420

<r²>	200.937
(<r²>)^1/2	14.175

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

using model chemistry: HF/STO-3G

States and conformations

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