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	hartrees
Energy at 0K	-308.751327
Energy at 298.15K	-308.762712
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3040	16.40
2	A	3165	3032	21.13
3	A	3075	2946	56.80
4	A	3069	2939	42.13
5	A	3009	2882	61.74
6	A	2924	2801	62.56
7	A	1479	1417	4.27
8	A	1472	1410	4.11
9	A	1458	1396	17.03
10	A	1443	1382	4.93
11	A	1389	1330	64.44
12	A	1349	1293	0.40
13	A	1261	1208	24.16
14	A	1185	1135	32.96
15	A	1163	1114	2.58
16	A	1122	1075	9.01
17	A	1089	1043	39.16
18	A	848	812	6.63
19	A	530	507	6.22
20	A	446	427	9.96
21	A	245	235	2.60
22	A	169	162	1.94
23	A	53	51	3.55
24	A	3165	3032	18.98
25	A	3156	3023	28.96
26	A	3070	2941	13.82
27	A	3007	2881	64.48
28	A	1483	1420	4.37
29	A	1466	1405	4.97
30	A	1459	1398	10.29
31	A	1445	1384	1.56
32	A	1373	1315	46.19
33	A	1208	1157	243.42
34	A	1172	1122	172.10
35	A	1160	1111	13.21
36	A	1084	1039	9.59
37	A	915	876	6.15
38	A	466	446	2.07
39	A	335	321	0.60
40	A	203	195	0.00
41	A	193	185	0.08
42	A	23	22	0.09

Atom	x (Å)	y (Å)	z (Å)
O1	-0.451	-0.538	1.105
O2	-0.451	-0.538	-1.105
C3	-0.451	0.215	2.291
C4	-0.451	0.215	-2.291
C5	0.064	0.150	0.000
C6	1.580	0.167	0.000
H7	0.566	0.437	2.647
H8	0.566	0.437	-2.647
H9	-0.961	-0.385	3.048
H10	-0.961	-0.385	-3.048
H11	-0.995	1.164	2.160
H12	-0.995	1.164	-2.160
H13	-0.335	1.187	0.000
H14	1.949	-0.863	0.000
H15	1.962	0.688	-0.884
H16	1.962	0.688	0.884

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2101	1.4051	3.4787	1.4001	2.4172	2.0891	4.0080	2.0151	4.1874	2.0755	3.7224	2.0521	2.6616	3.3590	2.7160
O2	2.2101		3.4787	1.4051	1.4001	2.4172	4.0080	2.0891	4.1874	2.0151	3.7224	2.0755	2.0521	2.6616	2.7160	3.3590
C3	1.4051	3.4787		4.5821	2.3490	3.0619	1.1002	5.0466	1.0927	5.3972	1.1016	4.5837	2.4913	3.4884	4.0157	2.8333
C4	3.4787	1.4051	4.5821		2.3490	3.0619	5.0466	1.1002	5.3972	1.0927	4.5837	1.1016	2.4913	3.4884	2.8333	4.0157
C5	1.4001	1.4001	2.3490	2.3490		1.5166	2.7096	2.7096	3.2602	3.2602	2.6104	2.6104	1.1102	2.1404	2.1623	2.1623
C6	2.4172	2.4172	3.0619	3.0619	1.5166		2.8474	2.8474	4.0068	4.0068	3.5058	3.5058	2.1694	1.0939	1.0949	1.0949
H7	2.0891	4.0080	1.1002	5.0466	2.7096	2.8474		5.2940	1.7804	5.9537	1.7894	5.1063	2.8948	3.2571	3.8050	2.2630
H8	4.0080	2.0891	5.0466	1.1002	2.7096	2.8474	5.2940		5.9537	1.7804	5.1063	1.7894	2.8948	3.2571	2.2630	3.8050
H9	2.0151	4.1874	1.0927	5.3972	3.2602	4.0068	1.7804	5.9537		6.0967	1.7858	5.4341	3.4864	4.2412	5.0159	3.7926
H10	4.1874	2.0151	5.3972	1.0927	3.2602	4.0068	5.9537	1.7804	6.0967		5.4341	1.7858	3.4864	4.2412	3.7926	5.0159
H11	2.0755	3.7224	1.1016	4.5837	2.6104	3.5058	1.7894	5.1063	1.7858	5.4341		4.3205	2.2590	4.1761	4.2705	3.2559
H12	3.7224	2.0755	4.5837	1.1016	2.6104	3.5058	5.1063	1.7894	5.4341	1.7858	4.3205		2.2590	4.1761	3.2559	4.2705
H13	2.0521	2.0521	2.4913	2.4913	1.1102	2.1694	2.8948	2.8948	3.4864	3.4864	2.2590	2.2590		3.0685	2.5112	2.5112
H14	2.6616	2.6616	3.4884	3.4884	2.1404	1.0939	3.2571	3.2571	4.2412	4.2412	4.1761	4.1761	3.0685		1.7853	1.7853
H15	3.3590	2.7160	4.0157	2.8333	2.1623	1.0949	3.8050	2.2630	5.0159	3.7926	4.2705	3.2559	2.5112	1.7853		1.7674
H16	2.7160	3.3590	2.8333	4.0157	2.1623	1.0949	2.2630	3.8050	3.7926	5.0159	3.2559	4.2705	2.5112	1.7853	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.422	O1	C3	H9	106.892
O1	C3	H11	111.205	O1	C5	O2	104.234
O1	C5	C6	111.877	O1	C5	H13	109.123
O2	C4	H8	112.422	O2	C4	H10	106.892
O2	C4	H12	111.205	O2	C5	C6	111.877
O2	C5	H13	109.123	C3	O1	C5	113.723
C4	O2	C5	113.723	C5	C6	H14	109.077
C5	C6	H15	110.752	C5	C6	H16	110.752
C6	C5	H13	110.398	H7	C3	H9	108.565
H7	C3	H11	108.719	H8	C4	H10	108.565
H8	C4	H12	108.719	H9	C3	H11	108.944
H10	C4	H12	108.944	H14	C6	H15	109.300
H14	C6	H16	109.300	H15	C6	H16	107.630

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

using model chemistry: B1B95/aug-cc-pVDZ

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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Number	Element	Mulliken
1	O	-0.627
2	O	-0.627
3	C	0.922
4	C	0.922
5	C	1.282
6	C	0.617
7	H	-0.183
8	H	-0.183
9	H	-0.357
10	H	-0.357
11	H	-0.170
12	H	-0.170
13	H	-0.423
14	H	-0.169
15	H	-0.238
16	H	-0.238

	x	y	z	Total
	0.899	2.243	0.000	2.417
CHELPG
AIM
ESP

	x	y	z
x	8.835	-0.045	0.000
y	-0.045	8.226	0.000
z	0.000	0.000	10.945

<r²>	198.042
(<r²>)^1/2	14.073

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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