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	hartrees
Energy at 0K	-60.543037
Energy at 298.15K	-60.554467
Nuclear repulsion energy	151.759597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3137	3029	38.36
2	A	3127	3020	45.07
3	A	3054	2949	50.51
4	A	3041	2937	120.05
5	A	2990	2888	91.49
6	A	2924	2824	80.74
7	A	1508	1457	4.22
8	A	1503	1451	0.95
9	A	1482	1431	11.57
10	A	1474	1424	5.47
11	A	1410	1361	55.23
12	A	1360	1313	12.97
13	A	1247	1204	17.92
14	A	1169	1128	7.88
15	A	1152	1112	28.62
16	A	1121	1082	8.23
17	A	1059	1023	56.70
18	A	834	805	4.96
19	A	519	501	7.79
20	A	432	417	11.85
21	A	251	243	3.20
22	A	186	179	1.56
23	A	65	63	5.41
24	A	3127	3019	31.26
25	A	3115	3008	62.96
26	A	3040	2936	16.34
27	A	2987	2885	82.15
28	A	1508	1456	6.69
29	A	1493	1442	1.17
30	A	1483	1432	5.19
31	A	1473	1423	0.06
32	A	1398	1350	67.94
33	A	1201	1160	103.73
34	A	1165	1125	4.05
35	A	1147	1108	314.66
36	A	1068	1031	37.14
37	A	902	871	8.66
38	A	461	445	2.97
39	A	341	329	1.29
40	A	233	225	0.01
41	A	207	199	0.05
42	A	36	35	0.17

Atom	x (Å)	y (Å)	z (Å)
O1	-0.480	-0.540	1.123
O2	-0.480	-0.540	-1.123
C3	-0.480	0.243	2.315
C4	-0.480	0.243	-2.315
C5	0.078	0.129	0.000
C6	1.623	0.038	0.000
H7	0.543	0.448	2.689
H8	0.543	0.448	-2.689
H9	-1.021	-0.340	3.076
H10	-1.021	-0.340	-3.076
H11	-1.004	1.211	2.165
H12	-1.004	1.211	-2.165
H13	-0.251	1.196	0.000
H14	1.914	-1.025	0.000
H15	2.050	0.529	-0.892
H16	2.050	0.529	0.892

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2466	1.4256	3.5259	1.4215	2.4532	2.1160	4.0696	2.0357	4.2384	2.1033	3.7618	2.0799	2.6892	3.4070	2.7567
O2	2.2466		3.5259	1.4256	1.4215	2.4532	4.0696	2.1160	4.2384	2.0357	3.7618	2.1033	2.0799	2.6892	2.7567	3.4070
C3	1.4256	3.5259		4.6292	2.3837	3.1339	1.1093	5.1118	1.1009	5.4487	1.1104	4.6125	2.5133	3.5638	4.0949	2.9170
C4	3.5259	1.4256	4.6292		2.3837	3.1339	5.1118	1.1093	5.4487	1.1009	4.6125	1.1104	2.5133	3.5638	2.9170	4.0949
C5	1.4215	1.4215	2.3837	2.3837		1.5471	2.7480	2.7480	3.2996	3.2996	2.6510	2.6510	1.1165	2.1688	2.2013	2.2013
C6	2.4532	2.4532	3.1339	3.1339	1.5471		2.9267	2.9267	4.0732	4.0732	3.5998	3.5998	2.2023	1.1029	1.1042	1.1042
H7	2.1160	4.0696	1.1093	5.1118	2.7480	2.9267		5.3788	1.7938	6.0254	1.8029	5.1515	2.9022	3.3592	3.8864	2.3468
H8	4.0696	2.1160	5.1118	1.1093	2.7480	2.9267	5.3788		6.0254	1.7938	5.1515	1.8029	2.9022	3.3592	2.3468	3.8864
H9	2.0357	4.2384	1.1009	5.4487	3.2996	4.0732	1.7938	6.0254		6.1515	1.7991	5.4654	3.5230	4.3063	5.0922	3.8671
H10	4.2384	2.0357	5.4487	1.1009	3.2996	4.0732	6.0254	1.7938	6.1515		5.4654	1.7991	3.5230	4.3063	3.8671	5.0922
H11	2.1033	3.7618	1.1104	4.6125	2.6510	3.5998	1.8029	5.1515	1.7991	5.4654		4.3296	2.2919	4.2664	4.3745	3.3781
H12	3.7618	2.1033	4.6125	1.1104	2.6510	3.5998	5.1515	1.8029	5.4654	1.7991	4.3296		2.2919	4.2664	3.3781	4.3745
H13	2.0799	2.0799	2.5133	2.5133	1.1165	2.2023	2.9022	2.9022	3.5230	3.5230	2.2919	2.2919		3.1020	2.5569	2.5569
H14	2.6892	2.6892	3.5638	3.5638	2.1688	1.1029	3.3592	3.3592	4.3063	4.3063	4.2664	4.2664	3.1020		1.7971	1.7971
H15	3.4070	2.7567	4.0949	2.9170	2.2013	1.1042	3.8864	2.3468	5.0922	3.8671	4.3745	3.3781	2.5569	1.7971		1.7842
H16	2.7567	3.4070	2.9170	4.0949	2.2013	1.1042	2.3468	3.8864	3.8671	5.0922	3.3781	4.3745	2.5569	1.7971	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.580	O1	C3	H9	106.656
O1	C3	H11	111.468	O1	C5	O2	104.414
O1	C5	C6	111.385	O1	C5	H13	109.487
O2	C4	H8	112.580	O2	C4	H10	106.656
O2	C4	H12	111.468	O2	C5	C6	111.385
O2	C5	H13	109.487	C3	O1	C5	113.702
C4	O2	C5	113.702	C5	C6	H14	108.692
C5	C6	H15	111.146	C5	C6	H16	111.146
C6	C5	H13	110.505	H7	C3	H9	108.508
H7	C3	H11	108.626	H8	C4	H10	108.508
H8	C4	H12	108.626	H9	C3	H11	108.895
H10	C4	H12	108.895	H14	C6	H15	109.015
H14	C6	H16	109.015	H15	C6	H16	107.781

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

using model chemistry: B3LYP/CEP-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	-0.165
2	O	-0.165
3	C	-0.397
4	C	-0.397
5	C	-0.016
6	C	-0.454
7	H	0.145
8	H	0.145
9	H	0.222
10	H	0.222
11	H	0.148
12	H	0.148
13	H	0.100
14	H	0.170
15	H	0.148
16	H	0.148

	x	y	z	Total
	1.067	2.683	0.000	2.887
CHELPG
AIM
ESP

	x	y	z
x	7.161	-0.080	0.000
y	-0.080	6.247	0.000
z	0.000	0.000	8.993

<r²>	167.604
(<r²>)^1/2	12.946

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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