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	hartrees
Energy at 0K	-308.472223
Energy at 298.15K	-308.483706
Nuclear repulsion energy	265.017929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3088	3037	15.87
2	A	3074	3023	27.58
3	A	2994	2944	16.48
4	A	2961	2912	111.35
5	A	2916	2868	61.61
6	A	2815	2768	73.59
7	A	1493	1468	2.88
8	A	1485	1460	2.11
9	A	1461	1437	11.71
10	A	1450	1426	3.25
11	A	1380	1357	49.07
12	A	1345	1323	13.15
13	A	1225	1205	18.11
14	A	1156	1137	13.11
15	A	1142	1123	20.41
16	A	1107	1089	9.22
17	A	1048	1031	51.09
18	A	829	816	6.14
19	A	522	513	6.32
20	A	434	427	9.94
21	A	248	244	2.41
22	A	191	188	1.52
23	A	71	70	3.70
24	A	3073	3023	21.87
25	A	3064	3013	33.27
26	A	2960	2911	16.39
27	A	2913	2865	73.89
28	A	1494	1469	11.74
29	A	1469	1445	0.02
30	A	1465	1441	3.72
31	A	1450	1427	0.24
32	A	1354	1332	64.24
33	A	1179	1159	81.55
34	A	1151	1132	7.76
35	A	1132	1113	322.20
36	A	1062	1045	21.85
37	A	891	876	10.77
38	A	458	451	2.56
39	A	339	333	1.02
40	A	238	234	0.04
41	A	214	210	0.01
42	A	62	61	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	-0.465	-0.528	1.114
O2	-0.465	-0.528	-1.114
C3	-0.465	0.241	2.303
C4	-0.465	0.241	-2.303
C5	0.082	0.153	0.000
C6	1.612	0.095	0.000
H7	0.557	0.463	2.677
H8	0.557	0.463	-2.677
H9	-0.990	-0.358	3.063
H10	-0.990	-0.358	-3.063
H11	-1.003	1.205	2.172
H12	-1.003	1.205	-2.172
H13	-0.270	1.217	0.000
H14	1.928	-0.961	0.000
H15	2.031	0.594	-0.890
H16	2.031	0.594	0.890

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2279	1.4166	3.5029	1.4156	2.4375	2.1138	4.0490	2.0258	4.2134	2.1007	3.7539	2.0794	2.6743	3.3920	2.7459
O2	2.2279		3.5029	1.4166	1.4156	2.4375	4.0490	2.1138	4.2134	2.0258	3.7539	2.1007	2.0794	2.6743	2.7459	3.3920
C3	1.4166	3.5029		4.6070	2.3691	3.1049	1.1103	5.0887	1.1011	5.4256	1.1114	4.6098	2.5092	3.5321	4.0686	2.8903
C4	3.5029	1.4166	4.6070		2.3691	3.1049	5.0887	1.1103	5.4256	1.1011	4.6098	1.1114	2.5092	3.5321	2.8903	4.0686
C5	1.4156	1.4156	2.3691	2.3691		1.5311	2.7360	2.7360	3.2854	3.2854	2.6461	2.6461	1.1205	2.1558	2.1878	2.1878
C6	2.4375	2.4375	3.1049	3.1049	1.5311		2.9004	2.9004	4.0444	4.0444	3.5761	3.5761	2.1909	1.1018	1.1034	1.1034
H7	2.1138	4.0490	1.1103	5.0887	2.7360	2.9004		5.3532	1.7935	6.0011	1.7995	5.1473	2.9011	3.3272	3.8615	2.3201
H8	4.0490	2.1138	5.0887	1.1103	2.7360	2.9004	5.3532		6.0011	1.7935	5.1473	1.7995	2.9011	3.3272	2.3201	3.8615
H9	2.0258	4.2134	1.1011	5.4256	3.2854	4.0444	1.7935	6.0011		6.1265	1.7996	5.4640	3.5191	4.2728	5.0657	3.8415
H10	4.2134	2.0258	5.4256	1.1011	3.2854	4.0444	6.0011	1.7935	6.1265		5.4640	1.7996	3.5191	4.2728	3.8415	5.0657
H11	2.1007	3.7539	1.1114	4.6098	2.6461	3.5761	1.7995	5.1473	1.7996	5.4640		4.3445	2.2927	4.2423	4.3539	3.3502
H12	3.7539	2.1007	4.6098	1.1114	2.6461	3.5761	5.1473	1.7995	5.4640	1.7996	4.3445		2.2927	4.2423	3.3502	4.3539
H13	2.0794	2.0794	2.5092	2.5092	1.1205	2.1909	2.9011	2.9011	3.5191	3.5191	2.2927	2.2927		3.0938	2.5445	2.5445
H14	2.6743	2.6743	3.5321	3.5321	2.1558	1.1018	3.3272	3.3272	4.2728	4.2728	4.2423	4.2423	3.0938		1.7948	1.7948
H15	3.3920	2.7459	4.0686	2.8903	2.1878	1.1034	3.8615	2.3201	5.0657	3.8415	4.3539	3.3502	2.5445	1.7948		1.7800
H16	2.7459	3.3920	2.8903	4.0686	2.1878	1.1034	2.3201	3.8615	3.8415	5.0657	3.3502	4.3539	2.5445	1.7948	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.988	O1	C3	H9	106.473
O1	C3	H11	111.823	O1	C5	O2	103.799
O1	C5	C6	111.569	O1	C5	H13	109.611
O2	C4	H8	112.988	O2	C4	H10	106.473
O2	C4	H12	111.823	O2	C5	C6	111.569
O2	C5	H13	109.611	C3	O1	C5	113.546
C4	O2	C5	113.546	C5	C6	H14	108.839
C5	C6	H15	111.256	C5	C6	H16	111.256
C6	C5	H13	110.480	H7	C3	H9	108.392
H7	C3	H11	108.187	H8	C4	H10	108.392
H8	C4	H12	108.187	H9	C3	H11	108.854
H10	C4	H12	108.854	H14	C6	H15	108.955
H14	C6	H16	108.955	H15	C6	H16	107.525

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.407
2	O	-0.407
3	C	-0.261
4	C	-0.261
5	C	0.323
6	C	-0.513
7	H	0.144
8	H	0.144
9	H	0.176
10	H	0.176
11	H	0.144
12	H	0.144
13	H	0.099
14	H	0.182
15	H	0.158
16	H	0.158

	x	y	z	Total
	0.822	2.037	0.000	2.197
CHELPG
AIM
ESP

	x	y	z
x	7.375	-0.093	0.000
y	-0.093	6.748	0.000
z	0.000	0.000	9.686

<r²>	200.892
(<r²>)^1/2	14.174

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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