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	hartrees
Energy at 0K	-308.796117
Energy at 298.15K	-308.807387
Nuclear repulsion energy	267.670146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3025	19.08
2	A	3143	3017	25.92
3	A	3057	2935	19.31
4	A	3040	2919	104.94
5	A	2989	2870	67.50
6	A	2911	2795	64.80
7	A	1506	1446	4.23
8	A	1486	1427	1.82
9	A	1474	1416	17.84
10	A	1465	1406	4.25
11	A	1403	1347	74.59
12	A	1366	1311	1.07
13	A	1260	1210	26.05
14	A	1187	1139	42.87
15	A	1168	1122	0.76
16	A	1129	1084	7.40
17	A	1083	1040	52.13
18	A	849	815	7.12
19	A	534	512	6.87
20	A	444	426	11.96
21	A	241	231	2.38
22	A	150	144	0.96
23	A	47	45	4.76
24	A	3143	3017	23.51
25	A	3130	3005	33.46
26	A	3039	2918	16.27
27	A	2987	2868	62.98
28	A	1508	1448	7.48
29	A	1481	1422	11.68
30	A	1477	1418	0.42
31	A	1465	1407	0.79
32	A	1402	1346	51.66
33	A	1209	1161	183.28
34	A	1172	1125	220.28
35	A	1169	1123	40.73
36	A	1089	1046	13.14
37	A	915	879	8.32
38	A	460	441	2.30
39	A	331	318	1.20
40	A	221	212	0.13
41	A	156	150	0.04
42	A	10	10	0.10

Atom	x (Å)	y (Å)	z (Å)
O1	-0.470	-0.502	1.107
O2	-0.470	-0.502	-1.107
C3	-0.470	0.280	2.273
C4	-0.470	0.280	-2.273
C5	0.102	0.134	0.000
C6	1.612	-0.009	0.000
H7	0.542	0.493	2.638
H8	0.542	0.493	-2.638
H9	-0.998	-0.289	3.036
H10	-0.998	-0.289	-3.036
H11	-0.992	1.233	2.118
H12	-0.992	1.233	-2.118
H13	-0.190	1.201	0.000
H14	1.859	-1.071	0.000
H15	2.053	0.459	-0.882
H16	2.053	0.459	0.882

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2140	1.4036	3.4690	1.3986	2.4089	2.0874	4.0046	2.0108	4.1815	2.0749	3.6991	2.0503	2.6406	3.3529	2.7089
O2	2.2140		3.4690	1.4036	1.3986	2.4089	4.0046	2.0874	4.1815	2.0108	3.6991	2.0749	2.0503	2.6406	2.7089	3.3529
C3	1.4036	3.4690		4.5456	2.3481	3.0959	1.0970	5.0183	1.0883	5.3649	1.0981	4.5232	2.4684	3.5233	4.0431	2.8865
C4	3.4690	1.4036	4.5456		2.3481	3.0959	5.0183	1.0970	5.3649	1.0883	4.5232	1.0981	2.4684	3.5233	2.8865	4.0431
C5	1.3986	1.3986	2.3481	2.3481		1.5173	2.6983	2.6983	3.2561	3.2561	2.6250	2.6250	1.1063	2.1306	2.1656	2.1656
C6	2.4089	2.4089	3.0959	3.0959	1.5173		2.8904	2.8904	4.0129	4.0129	3.5795	3.5795	2.1708	1.0898	1.0913	1.0913
H7	2.0874	4.0046	1.0970	5.0183	2.6983	2.8904		5.2755	1.7724	5.9305	1.7816	5.0517	2.8277	3.3370	3.8299	2.3166
H8	4.0046	2.0874	5.0183	1.0970	2.6983	2.8904	5.2755		5.9305	1.7724	5.0517	1.7816	2.8277	3.3370	2.3166	3.8299
H9	2.0108	4.1815	1.0883	5.3649	3.2561	4.0129	1.7724	5.9305		6.0713	1.7779	5.3738	3.4770	4.2408	5.0209	3.8085
H10	4.1815	2.0108	5.3649	1.0883	3.2561	4.0129	5.9305	1.7724	6.0713		5.3738	1.7779	3.4770	4.2408	3.8085	5.0209
H11	2.0749	3.6991	1.0981	4.5232	2.6250	3.5795	1.7816	5.0517	1.7779	5.3738		4.2357	2.2651	4.2336	4.3438	3.3764
H12	3.6991	2.0749	4.5232	1.0981	2.6250	3.5795	5.0517	1.7816	5.3738	1.7779	4.2357		2.2651	4.2336	3.3764	4.3438
H13	2.0503	2.0503	2.4684	2.4684	1.1063	2.1708	2.8277	2.8277	3.4770	3.4770	2.2651	2.2651		3.0592	2.5212	2.5212
H14	2.6406	2.6406	3.5233	3.5233	2.1306	1.0898	3.3370	3.3370	4.2408	4.2408	4.2336	4.2336	3.0592		1.7765	1.7765
H15	3.3529	2.7089	4.0431	2.8865	2.1656	1.0913	3.8299	2.3166	5.0209	3.8085	4.3438	3.3764	2.5212	1.7765		1.7631
H16	2.7089	3.3529	2.8865	4.0431	2.1656	1.0913	2.3166	3.8299	3.8085	5.0209	3.3764	4.3438	2.5212	1.7765	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.604	O1	C3	H9	106.912
O1	C3	H11	111.490	O1	C5	O2	104.648
O1	C5	C6	111.341	O1	C5	H13	109.318
O2	C4	H8	112.604	O2	C4	H10	106.912
O2	C4	H12	111.490	O2	C5	C6	111.341
O2	C5	H13	109.318	C3	O1	C5	113.847
C4	O2	C5	113.847	C5	C6	H14	108.503
C5	C6	H15	111.189	C5	C6	H16	111.189
C6	C5	H13	110.689	H7	C3	H9	108.398
H7	C3	H11	108.509	H8	C4	H10	108.398
H8	C4	H12	108.509	H9	C3	H11	108.816
H10	C4	H12	108.816	H14	C6	H15	109.074
H14	C6	H16	109.074	H15	C6	H16	107.772

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

using model chemistry: B1B95/6-311G**

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
1	O	-0.324
2	O	-0.324
3	C	-0.158
4	C	-0.158
5	C	0.140
6	C	-0.309
7	H	0.102
8	H	0.102
9	H	0.133
10	H	0.133
11	H	0.105
12	H	0.105
13	H	0.083
14	H	0.141
15	H	0.114
16	H	0.114

	x	y	z	Total
	0.906	2.245	0.000	2.421
CHELPG
AIM
ESP

	x	y	z
x	7.714	-0.188	0.000
y	-0.188	7.084	0.000
z	0.000	0.000	9.702

<r²>	197.556
(<r²>)^1/2	14.055

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

using model chemistry: B1B95/6-311G**

States and conformations

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