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	hartrees
Energy at 0K	-308.875692
Energy at 298.15K	-308.887228
Nuclear repulsion energy	265.779868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3022	19.12
2	A	3133	3010	30.60
3	A	3055	2935	21.00
4	A	3035	2916	104.61
5	A	2988	2870	62.04
6	A	2906	2793	62.19
7	A	1525	1466	2.37
8	A	1518	1458	1.32
9	A	1497	1438	10.10
10	A	1487	1429	2.79
11	A	1423	1367	47.33
12	A	1387	1332	14.33
13	A	1263	1213	22.67
14	A	1187	1141	14.35
15	A	1171	1125	25.98
16	A	1136	1091	6.57
17	A	1071	1029	52.45
18	A	849	815	6.99
19	A	534	513	6.96
20	A	444	426	11.01
21	A	253	243	2.76
22	A	181	174	1.59
23	A	60	58	4.26
24	A	3133	3010	22.32
25	A	3122	3000	38.28
26	A	3035	2916	15.77
27	A	2985	2868	64.23
28	A	1526	1466	8.14
29	A	1505	1446	0.50
30	A	1501	1442	4.89
31	A	1488	1429	0.01
32	A	1404	1349	69.34
33	A	1215	1168	108.47
34	A	1183	1137	6.66
35	A	1164	1118	303.93
36	A	1088	1045	38.16
37	A	916	880	9.14
38	A	467	449	2.13
39	A	347	334	1.14
40	A	242	232	0.03
41	A	204	196	0.03
42	A	47	46	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	-0.474	-0.499	1.112
O2	-0.474	-0.499	-1.112
C3	-0.474	0.267	2.299
C4	-0.474	0.267	-2.299
C5	0.103	0.146	0.000
C6	1.624	0.004	0.000
H7	0.540	0.464	2.680
H8	0.540	0.464	-2.680
H9	-1.016	-0.314	3.048
H10	-1.016	-0.314	-3.048
H11	-0.984	1.233	2.162
H12	-0.984	1.233	-2.162
H13	-0.186	1.216	0.000
H14	1.879	-1.059	0.000
H15	2.065	0.476	-0.883
H16	2.065	0.476	0.883

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2246	1.4126	3.4965	1.4086	2.4266	2.1003	4.0418	2.0191	4.1999	2.0884	3.7391	2.0643	2.6622	3.3729	2.7288
O2	2.2246		3.4965	1.4126	1.4086	2.4266	4.0418	2.1003	4.1999	2.0191	3.7391	2.0884	2.0643	2.6622	2.7288	3.3729
C3	1.4126	3.4965		4.5986	2.3735	3.1232	1.1002	5.0854	1.0921	5.4064	1.1013	4.5932	2.5041	3.5469	4.0764	2.9142
C4	3.4965	1.4126	4.5986		2.3735	3.1232	5.0854	1.1002	5.4064	1.0921	4.5932	1.1013	2.5041	3.5469	2.9142	4.0764
C5	1.4086	1.4086	2.3735	2.3735		1.5277	2.7342	2.7342	3.2795	3.2795	2.6529	2.6529	1.1091	2.1465	2.1772	2.1772
C6	2.4266	2.4266	3.1232	3.1232	1.5277		2.9275	2.9275	4.0450	4.0450	3.6036	3.6036	2.1786	1.0929	1.0944	1.0944
H7	2.1003	4.0418	1.1002	5.0854	2.7342	2.9275		5.3605	1.7778	5.9868	1.7840	5.1344	2.8771	3.3610	3.8763	2.3571
H8	4.0418	2.1003	5.0854	1.1002	2.7342	2.9275	5.3605		5.9868	1.7778	5.1344	1.7840	2.8771	3.3610	2.3571	3.8763
H9	2.0191	4.1999	1.0921	5.4064	3.2795	4.0450	1.7778	5.9868		6.0967	1.7830	5.4352	3.5103	4.2699	5.0572	3.8476
H10	4.1999	2.0191	5.4064	1.0921	3.2795	4.0450	5.9868	1.7778	6.0967		5.4352	1.7830	3.5103	4.2699	3.8476	5.0572
H11	2.0884	3.7391	1.1013	4.5932	2.6529	3.6036	1.7840	5.1344	1.7830	5.4352		4.3240	2.3046	4.2575	4.3755	3.3920
H12	3.7391	2.0884	4.5932	1.1013	2.6529	3.6036	5.1344	1.7840	5.4352	1.7830	4.3240		2.3046	4.2575	3.3920	4.3755
H13	2.0643	2.0643	2.5041	2.5041	1.1091	2.1786	2.8771	2.8771	3.5103	3.5103	2.3046	2.3046		3.0730	2.5293	2.5293
H14	2.6622	2.6622	3.5469	3.5469	2.1465	1.0929	3.3610	3.3610	4.2699	4.2699	4.2575	4.2575	3.0730		1.7803	1.7803
H15	3.3729	2.7288	4.0764	2.9142	2.1772	1.0944	3.8763	2.3571	5.0572	3.8476	4.3755	3.3920	2.5293	1.7803		1.7667
H16	2.7288	3.3729	2.9142	4.0764	2.1772	1.0944	2.3571	3.8763	3.8476	5.0572	3.3920	4.3755	2.5293	1.7803	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.820	O1	C3	H9	106.742
O1	C3	H11	111.761	O1	C5	O2	104.300
O1	C5	C6	111.397	O1	C5	H13	109.576
O2	C4	H8	112.820	O2	C4	H10	106.742
O2	C4	H12	111.761	O2	C5	C6	111.397
O2	C5	H13	109.576	C3	O1	C5	114.556
C4	O2	C5	114.556	C5	C6	H14	108.852
C5	C6	H15	111.193	C5	C6	H16	111.193
C6	C5	H13	110.422	H7	C3	H9	108.369
H7	C3	H11	108.267	H8	C4	H10	108.369
H8	C4	H12	108.267	H9	C3	H11	108.759
H10	C4	H12	108.759	H14	C6	H15	108.957
H14	C6	H16	108.957	H15	C6	H16	107.637

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

using model chemistry: B3LYP/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	-0.473
2	O	-0.473
3	C	-0.068
4	C	-0.068
5	C	0.424
6	C	-0.334
7	H	0.092
8	H	0.092
9	H	0.121
10	H	0.121
11	H	0.093
12	H	0.093
13	H	0.049
14	H	0.130
15	H	0.101
16	H	0.101

	x	y	z	Total
	0.926	2.164	0.000	2.354
CHELPG
AIM
ESP

	x	y	z
x	7.205	-0.122	0.000
y	-0.122	6.634	0.000
z	0.000	0.000	9.350

<r²>	200.443
(<r²>)^1/2	14.158

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

using model chemistry: B3LYP/6-31G**

States and conformations

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