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	hartrees
Energy at 0K	-308.486692
Energy at 298.15K	-308.498048
Nuclear repulsion energy	264.730284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3080	3062	12.46
2	A	3061	3043	22.78
3	A	2978	2961	15.22
4	A	2944	2926	108.80
5	A	2893	2876	62.41
6	A	2801	2785	69.98
7	A	1434	1426	3.09
8	A	1423	1415	0.25
9	A	1399	1391	11.09
10	A	1394	1386	8.47
11	A	1341	1333	61.44
12	A	1305	1298	3.73
13	A	1203	1196	22.65
14	A	1139	1132	40.96
15	A	1121	1114	0.06
16	A	1084	1077	8.55
17	A	1041	1035	46.53
18	A	824	819	6.18
19	A	518	515	5.41
20	A	431	428	9.89
21	A	242	241	2.04
22	A	177	176	1.12
23	A	59	58	3.26
24	A	3060	3043	18.18
25	A	3057	3039	30.69
26	A	2942	2925	16.73
27	A	2890	2873	78.55
28	A	1434	1426	9.71
29	A	1412	1404	4.45
30	A	1403	1395	4.21
31	A	1391	1383	0.01
32	A	1310	1303	59.44
33	A	1151	1145	89.04
34	A	1120	1113	20.33
35	A	1115	1108	332.61
36	A	1046	1040	2.43
37	A	877	872	11.13
38	A	449	446	2.16
39	A	334	332	0.92
40	A	231	230	0.06
41	A	198	197	0.00
42	A	48	48	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	-0.477	-0.508	1.115
O2	-0.477	-0.508	-1.115
C3	-0.477	0.279	2.291
C4	-0.477	0.279	-2.291
C5	0.108	0.141	0.000
C6	1.630	-0.008	0.000
H7	0.550	0.495	2.673
H8	0.550	0.495	-2.673
H9	-1.018	-0.300	3.063
H10	-1.018	-0.300	-3.063
H11	-1.001	1.255	2.141
H12	-1.001	1.255	-2.141
H13	-0.184	1.229	0.000
H14	1.884	-1.086	0.000
H15	2.080	0.469	-0.894
H16	2.080	0.469	0.894

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2296	1.4155	3.4955	1.4163	2.4352	2.1191	4.0512	2.0327	4.2178	2.1064	3.7393	2.0845	2.6740	3.3954	2.7464
O2	2.2296		3.4955	1.4155	1.4163	2.4352	4.0512	2.1191	4.2178	2.0327	3.7393	2.1064	2.0845	2.6740	2.7464	3.3954
C3	1.4155	3.4955		4.5815	2.3683	3.1252	1.1167	5.0738	1.1068	5.4121	1.1177	4.5676	2.4968	3.5617	4.0886	2.9198
C4	3.4955	1.4155	4.5815		2.3683	3.1252	5.0738	1.1167	5.4121	1.1068	4.5676	1.1177	2.4968	3.5617	2.9198	4.0886
C5	1.4163	1.4163	2.3683	2.3683		1.5289	2.7328	2.7328	3.2930	3.2930	2.6557	2.6557	1.1263	2.1586	2.1902	2.1902
C6	2.4352	2.4352	3.1252	3.1252	1.5289		2.9268	2.9268	4.0594	4.0594	3.6188	3.6188	2.1951	1.1076	1.1089	1.1089
H7	2.1191	4.0512	1.1167	5.0738	2.7328	2.9268		5.3468	1.8010	5.9998	1.8071	5.1143	2.8677	3.3804	3.8818	2.3471
H8	4.0512	2.1191	5.0738	1.1167	2.7328	2.9268	5.3468		5.9998	1.8010	5.1143	1.8071	2.8677	3.3804	2.3471	3.8818
H9	2.0327	4.2178	1.1068	5.4121	3.2930	4.0594	1.8010	5.9998		6.1258	1.8080	5.4308	3.5232	4.2923	5.0842	3.8597
H10	4.2178	2.0327	5.4121	1.1068	3.2930	4.0594	5.9998	1.8010	6.1258		5.4308	1.8080	3.5232	4.2923	3.8597	5.0842
H11	2.1064	3.7393	1.1177	4.5676	2.6557	3.6188	1.8071	5.1143	1.8080	5.4308		4.2811	2.2912	4.2877	4.3952	3.4153
H12	3.7393	2.1064	4.5676	1.1177	2.6557	3.6188	5.1143	1.8071	5.4308	1.8080	4.2811		2.2912	4.2877	3.4153	4.3952
H13	2.0845	2.0845	2.4968	2.4968	1.1263	2.1951	2.8677	2.8677	3.5232	3.5232	2.2912	2.2912		3.1038	2.5502	2.5502
H14	2.6740	2.6740	3.5617	3.5617	2.1586	1.1076	3.3804	3.3804	4.2923	4.2923	4.2877	4.2877	3.1038		1.8042	1.8042
H15	3.3954	2.7464	4.0886	2.9198	2.1902	1.1089	3.8818	2.3471	5.0842	3.8597	4.3952	3.4153	2.5502	1.8042		1.7878
H16	2.7464	3.3954	2.9198	4.0886	2.1902	1.1089	2.3471	3.8818	3.8597	5.0842	3.4153	4.3952	2.5502	1.8042	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	113.095	O1	C3	H9	106.759
O1	C3	H11	111.978	O1	C5	O2	103.831
O1	C5	C6	111.489	O1	C5	H13	109.608
O2	C4	H8	113.095	O2	C4	H10	106.759
O2	C4	H12	111.978	O2	C5	C6	111.489
O2	C5	H13	109.608	C3	O1	C5	113.506
C4	O2	C5	113.506	C5	C6	H14	108.863
C5	C6	H15	111.264	C5	C6	H16	111.264
C6	C5	H13	110.606	H7	C3	H9	108.183
H7	C3	H11	107.953	H8	C4	H10	108.183
H8	C4	H12	107.953	H9	C3	H11	108.735
H10	C4	H12	108.735	H14	C6	H15	108.976
H14	C6	H16	108.976	H15	C6	H16	107.445

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

using model chemistry: PBEPBE/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	O	-0.250
2	O	-0.250
3	C	0.063
4	C	0.063
5	C	0.149
6	C	-0.029
7	H	0.021
8	H	0.021
9	H	0.044
10	H	0.044
11	H	0.022
12	H	0.022
13	H	-0.022
14	H	0.046
15	H	0.028
16	H	0.028

	x	y	z	Total
	0.800	1.864	0.000	2.029
CHELPG
AIM
ESP

	x	y	z
x	7.888	-0.217	0.000
y	-0.217	7.177	0.000
z	0.000	0.000	10.264

<r²>	201.250
(<r²>)^1/2	14.186

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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