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	hartrees
Energy at 0K	-59.135321
Energy at 298.15K	-59.147125
Nuclear repulsion energy	153.584399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3324	2985	97.38
2	A	3316	2978	33.12
3	A	3253	2921	207.06
4	A	3232	2902	23.57
5	A	3202	2875	130.46
6	A	3176	2852	28.24
7	A	1642	1474	1.03
8	A	1635	1469	3.27
9	A	1622	1456	8.41
10	A	1609	1445	3.75
11	A	1564	1404	61.63
12	A	1498	1345	23.86
13	A	1387	1246	37.82
14	A	1295	1163	62.69
15	A	1281	1150	4.29
16	A	1224	1099	4.41
17	A	1170	1051	56.53
18	A	913	819	8.30
19	A	568	510	8.99
20	A	473	425	17.19
21	A	279	250	3.12
22	A	188	169	1.71
23	A	60	54	5.69
24	A	3323	2984	52.05
25	A	3293	2957	96.49
26	A	3250	2918	12.26
27	A	3197	2871	75.17
28	A	1643	1476	1.28
29	A	1632	1465	1.58
30	A	1626	1460	10.39
31	A	1609	1445	3.42
32	A	1557	1398	98.91
33	A	1344	1207	279.78
34	A	1283	1152	1.92
35	A	1276	1146	230.74
36	A	1188	1067	43.34
37	A	1010	907	5.04
38	A	495	444	1.57
39	A	374	335	1.67
40	A	245	220	0.01
41	A	213	191	0.15
42	A	31	28	0.44

Atom	x (Å)	y (Å)	z (Å)
O1	-0.499	-0.466	1.113
O2	-0.499	-0.466	-1.113
C3	-0.499	0.337	2.264
C4	-0.499	0.337	-2.264
C5	0.134	0.093	0.000
C6	1.634	-0.236	0.000
H7	0.512	0.531	2.633
H8	0.512	0.531	-2.633
H9	-1.051	-0.203	3.028
H10	-1.051	-0.203	-3.028
H11	-0.995	1.296	2.078
H12	-0.995	1.296	-2.078
H13	-0.022	1.179	0.000
H14	1.755	-1.319	0.000
H15	2.125	0.177	-0.883
H16	2.125	0.177	0.883

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2258	1.4031	3.4706	1.3969	2.4168	2.0804	4.0064	2.0102	4.1858	2.0689	3.6787	2.0425	2.6551	3.3589	2.7113
O2	2.2258		3.4706	1.4031	1.3969	2.4168	4.0064	2.0804	4.1858	2.0102	3.6787	2.0689	2.0425	2.6551	2.7113	3.3589
C3	1.4031	3.4706		4.5271	2.3630	3.1627	1.0941	5.0041	1.0867	5.3477	1.0948	4.4741	2.4618	3.5986	4.1003	2.9694
C4	3.4706	1.4031	4.5271		2.3630	3.1627	5.0041	1.0941	5.3477	1.0867	4.4741	1.0948	2.4618	3.5986	2.9694	4.1003
C5	1.3969	1.3969	2.3630	2.3630		1.5360	2.6963	2.6963	3.2650	3.2650	2.6533	2.6533	1.0970	2.1505	2.1799	2.1799
C6	2.4168	2.4168	3.1627	3.1627	1.5360		2.9635	2.9635	4.0469	4.0469	3.6848	3.6848	2.1780	1.0898	1.0915	1.0915
H7	2.0804	4.0064	1.0941	5.0041	2.6963	2.9635		5.2670	1.7712	5.9190	1.7788	5.0059	2.7641	3.4502	3.8849	2.4064
H8	4.0064	2.0804	5.0041	1.0941	2.6963	2.9635	5.2670		5.9190	1.7712	5.0059	1.7788	2.7641	3.4502	2.4064	3.8849
H9	2.0102	4.1858	1.0867	5.3477	3.2650	4.0469	1.7712	5.9190		6.0562	1.7754	5.3223	3.4843	4.2764	5.0523	3.8510
H10	4.1858	2.0102	5.3477	1.0867	3.2650	4.0469	5.9190	1.7712	6.0562		5.3223	1.7754	3.4843	4.2764	3.8510	5.0523
H11	2.0689	3.6787	1.0948	4.4741	2.6533	3.6848	1.7788	5.0059	1.7754	5.3223		4.1569	2.2981	4.3269	4.4448	3.5235
H12	3.6787	2.0689	4.4741	1.0948	2.6533	3.6848	5.0059	1.7788	5.3223	1.7754	4.1569		2.2981	4.3269	3.5235	4.4448
H13	2.0425	2.0425	2.4618	2.4618	1.0970	2.1780	2.7641	2.7641	3.4843	3.4843	2.2981	2.2981		3.0657	2.5281	2.5281
H14	2.6551	2.6551	3.5986	3.5986	2.1505	1.0898	3.4502	3.4502	4.2764	4.2764	4.3269	4.3269	3.0657		1.7761	1.7761
H15	3.3589	2.7113	4.1003	2.9694	2.1799	1.0915	3.8849	2.4064	5.0523	3.8510	4.4448	3.5235	2.5281	1.7761		1.7661
H16	2.7113	3.3589	2.9694	4.1003	2.1799	1.0915	2.4064	3.8849	3.8510	5.0523	3.5235	4.4448	2.5281	1.7761	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.245	O1	C3	H9	106.993
O1	C3	H11	111.240	O1	C5	O2	105.632
O1	C5	C6	110.897	O1	C5	H13	109.388
O2	C4	H8	112.245	O2	C4	H10	106.993
O2	C4	H12	111.240	O2	C5	C6	110.897
O2	C5	H13	109.388	C3	O1	C5	115.116
C4	O2	C5	115.116	C5	C6	H14	108.778
C5	C6	H15	110.991	C5	C6	H16	110.991
C6	C5	H13	110.514	H7	C3	H9	108.617
H7	C3	H11	108.715	H8	C4	H10	108.617
H8	C4	H12	108.715	H9	C3	H11	108.942
H10	C4	H12	108.942	H14	C6	H15	109.023
H14	C6	H16	109.023	H15	C6	H16	107.994

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

using model chemistry: HF/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	-0.309
2	O	-0.309
3	C	-0.228
4	C	-0.228
5	C	0.162
6	C	-0.318
7	H	0.111
8	H	0.111
9	H	0.182
10	H	0.182
11	H	0.117
12	H	0.117
13	H	0.071
14	H	0.132
15	H	0.105
16	H	0.105

	x	y	z	Total
	1.289	2.755	0.000	3.041
CHELPG
AIM
ESP

	x	y	z
x	6.581	-0.188	0.000
y	-0.188	5.899	0.000
z	0.000	0.000	7.863

<r²>	164.622
(<r²>)^1/2	12.831

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

using model chemistry: HF/CEP-31G*

States and conformations

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