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	hartrees
Energy at 0K	-308.792674
Energy at 298.15K	-308.804276
Nuclear repulsion energy	267.379168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3028	14.96
2	A	3167	3013	28.03
3	A	3082	2933	22.48
4	A	3069	2921	95.97
5	A	3013	2867	56.36
6	A	2928	2786	67.35
7	A	1529	1455	3.37
8	A	1522	1448	1.73
9	A	1500	1427	14.80
10	A	1489	1417	2.91
11	A	1428	1359	63.34
12	A	1387	1320	6.30
13	A	1281	1219	23.88
14	A	1205	1147	34.86
15	A	1190	1133	0.06
16	A	1143	1088	9.96
17	A	1097	1043	50.95
18	A	860	818	6.43
19	A	541	514	6.76
20	A	451	430	11.52
21	A	254	242	2.66
22	A	184	175	1.75
23	A	63	60	4.27
24	A	3167	3013	17.21
25	A	3161	3008	34.76
26	A	3069	2920	14.41
27	A	3011	2865	66.12
28	A	1530	1456	7.34
29	A	1509	1436	1.71
30	A	1502	1430	7.70
31	A	1490	1418	0.08
32	A	1408	1339	73.74
33	A	1233	1173	246.53
34	A	1192	1134	141.89
35	A	1188	1131	47.85
36	A	1108	1054	11.77
37	A	936	891	5.58
38	A	471	448	2.16
39	A	349	332	1.12
40	A	244	232	0.03
41	A	207	197	0.03
42	A	51	48	0.07

Atom	x (Å)	y (Å)	z (Å)
O1	-0.465	-0.510	1.105
O2	-0.465	-0.510	-1.105
C3	-0.465	0.248	2.285
C4	-0.465	0.248	-2.285
C5	0.087	0.148	0.000
C6	1.605	0.058	0.000
H7	0.548	0.459	2.657
H8	0.548	0.459	-2.657
H9	-0.990	-0.340	3.039
H10	-0.990	-0.340	-3.039
H11	-0.991	1.205	2.156
H12	-0.991	1.205	-2.156
H13	-0.237	1.208	0.000
H14	1.895	-0.994	0.000
H15	2.030	0.544	-0.882
H16	2.030	0.544	0.882

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2100	1.4028	3.4741	1.3992	2.4142	2.0911	4.0145	2.0112	4.1805	2.0789	3.7214	2.0556	2.6496	3.3590	2.7178
O2	2.2100		3.4741	1.4028	1.3992	2.4142	4.0145	2.0911	4.1805	2.0112	3.7214	2.0789	2.0556	2.6496	2.7178	3.3590
C3	1.4028	3.4741		4.5708	2.3531	3.0892	1.0986	5.0493	1.0905	5.3824	1.0998	4.5732	2.4894	3.5115	4.0426	2.8781
C4	3.4741	1.4028	4.5708		2.3531	3.0892	5.0493	1.0986	5.3824	1.0905	4.5732	1.0998	2.4894	3.5115	2.8781	4.0426
C5	1.3992	1.3992	2.3531	2.3531		1.5211	2.7145	2.7145	3.2606	3.2606	2.6315	2.6315	1.1087	2.1381	2.1708	2.1708
C6	2.4142	2.4142	3.0892	3.0892	1.5211		2.8877	2.8877	4.0159	4.0159	3.5636	3.5636	2.1713	1.0914	1.0926	1.0926
H7	2.0911	4.0145	1.0986	5.0493	2.7145	2.8877		5.3138	1.7742	5.9536	1.7813	5.1070	2.8697	3.3145	3.8376	2.3148
H8	4.0145	2.0911	5.0493	1.0986	2.7145	2.8877	5.3138		5.9536	1.7742	5.1070	1.7813	2.8697	3.3145	2.3148	3.8376
H9	2.0112	4.1805	1.0905	5.3824	3.2606	4.0159	1.7742	5.9536		6.0779	1.7797	5.4194	3.4927	4.2405	5.0273	3.8154
H10	4.1805	2.0112	5.3824	1.0905	3.2606	4.0159	5.9536	1.7742	6.0779		5.4194	1.7797	3.4927	4.2405	3.8154	5.0273
H11	2.0789	3.7214	1.0998	4.5732	2.6315	3.5636	1.7813	5.1070	1.7797	5.4194		4.3111	2.2836	4.2197	4.3344	3.3446
H12	3.7214	2.0789	4.5732	1.0998	2.6315	3.5636	5.1070	1.7813	5.4194	1.7797	4.3111		2.2836	4.2197	3.3446	4.3344
H13	2.0556	2.0556	2.4894	2.4894	1.1087	2.1713	2.8697	2.8697	3.4927	3.4927	2.2836	2.2836		3.0646	2.5215	2.5215
H14	2.6496	2.6496	3.5115	3.5115	2.1381	1.0914	3.3145	3.3145	4.2405	4.2405	4.2197	4.2197	3.0646		1.7780	1.7780
H15	3.3590	2.7178	4.0426	2.8781	2.1708	1.0926	3.8376	2.3148	5.0273	3.8154	4.3344	3.3446	2.5215	1.7780		1.7631
H16	2.7178	3.3590	2.8781	4.0426	2.1708	1.0926	2.3148	3.8376	3.8154	5.0273	3.3446	4.3344	2.5215	1.7780	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.863	O1	C3	H9	106.865
O1	C3	H11	111.768	O1	C5	O2	104.326
O1	C5	C6	111.454	O1	C5	H13	109.556
O2	C4	H8	112.863	O2	C4	H10	106.865
O2	C4	H12	111.768	O2	C5	C6	111.454
O2	C5	H13	109.556	C3	O1	C5	114.236
C4	O2	C5	114.236	C5	C6	H14	108.738
C5	C6	H15	111.247	C5	C6	H16	111.247
C6	C5	H13	110.327	H7	C3	H9	108.281
H7	C3	H11	108.248	H8	C4	H10	108.281
H8	C4	H12	108.248	H9	C3	H11	108.686
H10	C4	H12	108.686	H14	C6	H15	108.992
H14	C6	H16	108.992	H15	C6	H16	107.574

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

using model chemistry: mPW1PW91/6-31G**

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	-0.480
2	O	-0.480
3	C	-0.137
4	C	-0.137
5	C	0.397
6	C	-0.413
7	H	0.114
8	H	0.114
9	H	0.148
10	H	0.148
11	H	0.116
12	H	0.116
13	H	0.077
14	H	0.159
15	H	0.128
16	H	0.128

	x	y	z	Total
	0.912	2.212	0.000	2.392
CHELPG
AIM
ESP

<r²>	197.918
(<r²>)^1/2	14.068

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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