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	hartrees
Energy at 0K	-308.783963
Energy at 298.15K	-308.795329
Nuclear repulsion energy	267.786930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	3022	28.69
2	A	3149	3018	25.27
3	A	3061	2934	26.36
4	A	3045	2919	112.77
5	A	2995	2871	71.64
6	A	2914	2794	69.38
7	A	1526	1463	4.61
8	A	1508	1446	3.27
9	A	1495	1433	18.04
10	A	1482	1420	4.15
11	A	1415	1357	72.91
12	A	1378	1320	4.65
13	A	1269	1216	24.53
14	A	1193	1144	38.68
15	A	1180	1131	3.01
16	A	1137	1090	8.06
17	A	1088	1043	54.34
18	A	852	817	7.46
19	A	535	513	6.94
20	A	445	427	11.93
21	A	245	235	2.45
22	A	160	153	1.32
23	A	51	49	4.69
24	A	3149	3018	26.15
25	A	3131	3002	39.07
26	A	3044	2918	17.30
27	A	2992	2869	66.33
28	A	1527	1464	10.10
29	A	1499	1437	2.07
30	A	1496	1434	7.19
31	A	1482	1421	1.13
32	A	1410	1352	55.78
33	A	1221	1170	162.35
34	A	1182	1133	12.89
35	A	1178	1129	269.73
36	A	1096	1051	18.11
37	A	922	884	8.55
38	A	464	445	2.30
39	A	335	322	1.30
40	A	224	215	0.10
41	A	178	170	0.02
42	A	21	21	0.09

Atom	x (Å)	y (Å)	z (Å)
O1	-0.465	-0.509	1.106
O2	-0.465	-0.509	-1.106
C3	-0.465	0.260	2.278
C4	-0.465	0.260	-2.278
C5	0.091	0.141	0.000
C6	1.604	0.038	0.000
H7	0.547	0.474	2.643
H8	0.547	0.474	-2.643
H9	-0.988	-0.320	3.036
H10	-0.988	-0.320	-3.036
H11	-0.992	1.213	2.135
H12	-0.992	1.213	-2.135
H13	-0.227	1.201	0.000
H14	1.881	-1.017	0.000
H15	2.036	0.517	-0.881
H16	2.036	0.517	0.881

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2116	1.4020	3.4702	1.3979	2.4090	2.0863	4.0053	2.0084	4.1786	2.0737	3.7073	2.0503	2.6431	3.3545	2.7126
O2	2.2116		3.4702	1.4020	1.3979	2.4090	4.0053	2.0863	4.1786	2.0084	3.7073	2.0737	2.0503	2.6431	2.7126	3.3545
C3	1.4020	3.4702		4.5563	2.3480	3.0857	1.0968	5.0286	1.0881	5.3709	1.0980	4.5455	2.4764	3.5107	4.0372	2.8766
C4	3.4702	1.4020	4.5563		2.3480	3.0857	5.0286	1.0968	5.3709	1.0881	4.5455	1.0980	2.4764	3.5107	2.8766	4.0372
C5	1.3979	1.3979	2.3480	2.3480		1.5171	2.7025	2.7025	3.2545	3.2545	2.6227	2.6227	1.1068	2.1323	2.1682	2.1682
C6	2.4090	2.4090	3.0857	3.0857	1.5171		2.8797	2.8797	4.0080	4.0080	3.5608	3.5608	2.1699	1.0900	1.0914	1.0914
H7	2.0863	4.0053	1.0968	5.0286	2.7025	2.8797		5.2858	1.7725	5.9357	1.7811	5.0738	2.8484	3.3146	3.8254	2.3076
H8	4.0053	2.0863	5.0286	1.0968	2.7025	2.8797	5.2858		5.9357	1.7725	5.0738	1.7811	2.8484	3.3146	2.3076	3.8254
H9	2.0084	4.1786	1.0881	5.3709	3.2545	4.0080	1.7725	5.9357		6.0713	1.7777	5.3931	3.4798	4.2349	5.0183	3.8067
H10	4.1786	2.0084	5.3709	1.0881	3.2545	4.0080	5.9357	1.7725	6.0713		5.3931	1.7777	3.4798	4.2349	3.8067	5.0183
H11	2.0737	3.7073	1.0980	4.5455	2.6227	3.5608	1.7811	5.0738	1.7777	5.3931		4.2701	2.2679	4.2171	4.3299	3.3508
H12	3.7073	2.0737	4.5455	1.0980	2.6227	3.5608	5.0738	1.7811	5.3931	1.7777	4.2701		2.2679	4.2171	3.3508	4.3299
H13	2.0503	2.0503	2.4764	2.4764	1.1068	2.1699	2.8484	2.8484	3.4798	3.4798	2.2679	2.2679		3.0603	2.5233	2.5233
H14	2.6431	2.6431	3.5107	3.5107	2.1323	1.0900	3.3146	3.3146	4.2349	4.2349	4.2171	4.2171	3.0603		1.7748	1.7748
H15	3.3545	2.7126	4.0372	2.8766	2.1682	1.0914	3.8254	2.3076	5.0183	3.8067	4.3299	3.3508	2.5233	1.7748		1.7611
H16	2.7126	3.3545	2.8766	4.0372	2.1682	1.0914	2.3076	3.8254	3.8067	5.0183	3.3508	4.3299	2.5233	1.7748	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.642	O1	C3	H9	106.841
O1	C3	H11	111.517	O1	C5	O2	104.569
O1	C5	C6	111.401	O1	C5	H13	109.339
O2	C4	H8	112.642	O2	C4	H10	106.841
O2	C4	H12	111.517	O2	C5	C6	111.401
O2	C5	H13	109.339	C3	O1	C5	113.987
C4	O2	C5	113.987	C5	C6	H14	108.640
C5	C6	H15	111.396	C5	C6	H16	111.396
C6	C5	H13	110.607	H7	C3	H9	108.427
H7	C3	H11	108.484	H8	C4	H10	108.427
H8	C4	H12	108.484	H9	C3	H11	108.818
H10	C4	H12	108.818	H14	C6	H15	108.895
H14	C6	H16	108.895	H15	C6	H16	107.561

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	-0.305
2	O	-0.305
3	C	-0.467
4	C	-0.467
5	C	0.117
6	C	-0.650
7	H	0.199
8	H	0.199
9	H	0.228
10	H	0.228
11	H	0.200
12	H	0.200
13	H	0.160
14	H	0.236
15	H	0.215
16	H	0.215

	x	y	z	Total
	0.875	2.244	0.000	2.408
CHELPG
AIM
ESP

	x	y	z
x	7.570	-0.159	0.000
y	-0.159	6.978	0.000
z	0.000	0.000	9.504

<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)