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	hartrees
Energy at 0K	-307.108330
Energy at 298.15K	-307.120178
Nuclear repulsion energy	268.685924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	2963	48.22
2	A	3247	2956	21.48
3	A	3180	2895	117.38
4	A	3170	2886	17.26
5	A	3136	2855	87.07
6	A	3088	2811	33.51
7	A	1630	1484	4.54
8	A	1626	1480	3.86
9	A	1614	1469	12.24
10	A	1598	1455	3.25
11	A	1546	1408	55.41
12	A	1501	1367	11.18
13	A	1386	1261	35.27
14	A	1292	1176	53.48
15	A	1279	1165	9.83
16	A	1224	1114	2.88
17	A	1165	1060	53.44
18	A	910	829	7.08
19	A	575	524	7.63
20	A	480	437	13.21
21	A	276	251	3.33
22	A	179	163	1.80
23	A	56	51	4.44
24	A	3254	2962	36.24
25	A	3230	2940	57.90
26	A	3176	2891	13.40
27	A	3132	2852	53.90
28	A	1632	1486	1.09
29	A	1621	1476	4.87
30	A	1617	1472	8.98
31	A	1601	1457	0.89
32	A	1541	1403	63.88
33	A	1341	1221	225.18
34	A	1283	1168	2.76
35	A	1269	1156	269.55
36	A	1186	1080	55.47
37	A	1005	915	6.09
38	A	496	452	1.14
39	A	377	343	1.08
40	A	250	228	0.01
41	A	203	185	0.16
42	A	33	30	0.33

Atom	x (Å)	y (Å)	z (Å)
O1	-0.487	-0.436	1.102
O2	-0.487	-0.436	-1.102
C3	-0.487	0.335	2.260
C4	-0.487	0.335	-2.260
C5	0.145	0.114	0.000
C6	1.630	-0.207	0.000
H7	0.515	0.504	2.644
H8	0.515	0.504	-2.644
H9	-1.051	-0.206	3.005
H10	-1.051	-0.206	-3.005
H11	-0.962	1.299	2.094
H12	-0.962	1.299	-2.094
H13	-0.008	1.195	0.000
H14	1.760	-1.281	0.000
H15	2.115	0.206	-0.876
H16	2.115	0.206	0.876

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2045	1.3917	3.4501	1.3844	2.3977	2.0653	3.9901	1.9982	4.1525	2.0541	3.6676	2.0261	2.6412	3.3311	2.6900
O2	2.2045		3.4501	1.3917	1.3844	2.3977	3.9901	2.0653	4.1525	1.9982	3.6676	2.0541	2.0261	2.6412	2.6900	3.3311
C3	1.3917	3.4501		4.5210	2.3575	3.1441	1.0862	5.0083	1.0795	5.3235	1.0871	4.4849	2.4654	3.5735	4.0771	2.9506
C4	3.4501	1.3917	4.5210		2.3575	3.1441	5.0083	1.0862	5.3235	1.0795	4.4849	1.0871	2.4654	3.5735	2.9506	4.0771
C5	1.3844	1.3844	2.3575	2.3575		1.5197	2.6979	2.6979	3.2501	3.2501	2.6483	2.6483	1.0918	2.1341	2.1584	2.1584
C6	2.3977	2.3977	3.1441	3.1441	1.5197		2.9560	2.9560	4.0271	4.0271	3.6568	3.6568	2.1561	1.0820	1.0830	1.0830
H7	2.0653	3.9901	1.0862	5.0083	2.6979	2.9560		5.2873	1.7570	5.9049	1.7654	5.0258	2.7820	3.4243	3.8773	2.4031
H8	3.9901	2.0653	5.0083	1.0862	2.6979	2.9560	5.2873		5.9049	1.7570	5.0258	1.7654	2.7820	3.4243	2.4031	3.8773
H9	1.9982	4.1525	1.0795	5.3235	3.2501	4.0271	1.7570	5.9049		6.0108	1.7613	5.3173	3.4758	4.2528	5.0253	3.8377
H10	4.1525	1.9982	5.3235	1.0795	3.2501	4.0271	5.9049	1.7570	6.0108		5.3173	1.7613	3.4758	4.2528	3.8377	5.0253
H11	2.0541	3.6676	1.0871	4.4849	2.6483	3.6568	1.7654	5.0258	1.7613	5.3173		4.1878	2.3035	4.2953	4.4139	3.4856
H12	3.6676	2.0541	4.4849	1.0871	2.6483	3.6568	5.0258	1.7654	5.3173	1.7613	4.1878		2.3035	4.2953	3.4856	4.4139
H13	2.0261	2.0261	2.4654	2.4654	1.0918	2.1561	2.7820	2.7820	3.4758	3.4758	2.3035	2.3035		3.0424	2.5004	2.5004
H14	2.6412	2.6412	3.5735	3.5735	2.1341	1.0820	3.4243	3.4243	4.2528	4.2528	4.2953	4.2953	3.0424		1.7624	1.7624
H15	3.3311	2.6900	4.0771	2.9506	2.1584	1.0830	3.8773	2.4031	5.0253	3.8377	4.4139	3.4856	2.5004	1.7624		1.7511
H16	2.6900	3.3311	2.9506	4.0771	2.1584	1.0830	2.4031	3.8773	3.8377	5.0253	3.4856	4.4139	2.5004	1.7624	1.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.329	O1	C3	H9	107.236
O1	C3	H11	111.331	O1	C5	O2	105.539
O1	C5	C6	111.225	O1	C5	H13	109.250
O2	C4	H8	112.329	O2	C4	H10	107.236
O2	C4	H12	111.331	O2	C5	C6	111.225
O2	C5	H13	109.250	C3	O1	C5	116.250
C4	O2	C5	116.250	C5	C6	H14	109.071
C5	C6	H15	110.934	C5	C6	H16	110.934
C6	C5	H13	110.228	H7	C3	H9	108.442
H7	C3	H11	108.642	H8	C4	H10	108.442
H8	C4	H12	108.642	H9	C3	H11	108.760
H10	C4	H12	108.760	H14	C6	H15	108.986
H14	C6	H16	108.986	H15	C6	H16	107.885

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.660
2	O	-0.660
3	C	-0.914
4	C	-0.914
5	C	0.792
6	C	-1.030
7	H	0.350
8	H	0.350
9	H	0.341
10	H	0.341
11	H	0.353
12	H	0.353
13	H	0.472
14	H	0.264
15	H	0.280
16	H	0.280

	x	y	z	Total
	1.140	2.329	0.000	2.593
CHELPG
AIM
ESP

	x	y	z
x	8.046	-0.180	0.000
y	-0.180	7.525	0.000
z	0.000	0.000	9.696

<r²>	197.421
(<r²>)^1/2	14.051

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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