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	hartrees
Energy at 0K	-308.796651
Energy at 298.15K	-308.808045
HF Energy	-308.796651
Nuclear repulsion energy	265.461827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3078	3034	22.82
2	A'	3064	3021	30.64
3	A'	2991	2949	22.80
4	A'	2961	2920	109.07
5	A'	2917	2877	77.64
6	A'	2833	2793	68.40
7	A'	1479	1458	5.30
8	A'	1477	1456	1.10
9	A'	1453	1433	11.28
10	A'	1441	1421	2.54
11	A'	1373	1354	42.81
12	A'	1346	1327	10.26
13	A'	1220	1203	20.14
14	A'	1154	1138	7.68
15	A'	1116	1100	40.73
16	A'	1102	1087	1.12
17	A'	1033	1019	54.30
18	A'	823	812	6.33
19	A'	522	515	6.54
20	A'	434	428	8.56
21	A'	246	242	2.49
22	A'	174	172	1.54
23	A'	54	53	3.43
24	A"	3063	3021	23.26
25	A"	3056	3013	41.64
26	A"	2960	2919	19.77
27	A"	2915	2874	74.88
28	A"	1480	1459	9.53
29	A"	1460	1440	0.24
30	A"	1454	1434	3.07
31	A"	1442	1422	0.09
32	A"	1352	1333	41.34
33	A"	1177	1161	37.17
34	A"	1151	1135	2.25
35	A"	1105	1090	325.92
36	A"	1043	1029	96.63
37	A"	876	864	18.24
38	A"	458	452	2.38
39	A"	344	339	0.99
40	A"	231	228	0.01
41	A"	196	193	0.04
42	A"	39	38	0.06

Atom	x (Å)	y (Å)	z (Å)
O1	-0.468	-0.520	1.116
O2	-0.468	-0.520	-1.116
C3	-0.468	0.254	2.303
C4	-0.468	0.254	-2.303
C5	0.091	0.145	0.000
C6	1.615	0.063	0.000
H7	0.549	0.461	2.672
H8	0.549	0.461	-2.672
H9	-1.000	-0.330	3.058
H10	-1.000	-0.330	-3.058
H11	-0.989	1.214	2.159
H12	-0.989	1.214	-2.159
H13	-0.240	1.205	0.000
H14	1.915	-0.988	0.000
H15	2.034	0.556	-0.883
H16	2.034	0.556	0.883

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2316	1.4174	3.5057	1.4140	2.4341	2.1018	4.0429	2.0223	4.2116	2.0896	3.7421	2.0665	2.6721	3.3779	2.7326
O2	2.2316		3.5057	1.4174	1.4140	2.4341	4.0429	2.1018	4.2116	2.0223	3.7421	2.0896	2.0665	2.6721	2.7326	3.3779
C3	1.4174	3.5057		4.6069	2.3727	3.1116	1.1008	5.0828	1.0924	5.4191	1.1021	4.5944	2.5023	3.5389	4.0625	2.8921
C4	3.5057	1.4174	4.6069		2.3727	3.1116	5.0828	1.1008	5.4191	1.0924	4.5944	1.1021	2.5023	3.5389	2.8921	4.0625
C5	1.4140	1.4140	2.3727	2.3727		1.5269	2.7296	2.7296	3.2810	3.2810	2.6402	2.6402	1.1099	2.1474	2.1733	2.1733
C6	2.4341	2.4341	3.1116	3.1116	1.5269		2.9048	2.9048	4.0427	4.0427	3.5737	3.5737	2.1787	1.0931	1.0945	1.0945
H7	2.1018	4.0429	1.1008	5.0828	2.7296	2.9048		5.3447	1.7808	5.9881	1.7877	5.1261	2.8840	3.3327	3.8546	2.3269
H8	4.0429	2.1018	5.0828	1.1008	2.7296	2.9048	5.3447		5.9881	1.7808	5.1261	1.7877	2.8840	3.3327	2.3269	3.8546
H9	2.0223	4.2116	1.0924	5.4191	3.2810	4.0427	1.7808	5.9881		6.1155	1.7868	5.4408	3.5047	4.2749	5.0516	3.8357
H10	4.2116	2.0223	5.4191	1.0924	3.2810	4.0427	5.9881	1.7808	6.1155		5.4408	1.7868	3.5047	4.2749	3.8357	5.0516
H11	2.0896	3.7421	1.1021	4.5944	2.6402	3.5737	1.7877	5.1261	1.7868	5.4408		4.3184	2.2854	4.2360	4.3392	3.3464
H12	3.7421	2.0896	4.5944	1.1021	2.6402	3.5737	5.1261	1.7877	5.4408	1.7868	4.3184		2.2854	4.2360	3.3464	4.3392
H13	2.0665	2.0665	2.5023	2.5023	1.1099	2.1787	2.8840	2.8840	3.5047	3.5047	2.2854	2.2854		3.0744	2.5243	2.5243
H14	2.6721	2.6721	3.5389	3.5389	2.1474	1.0931	3.3327	3.3327	4.2749	4.2749	4.2360	4.2360	3.0744		1.7827	1.7827
H15	3.3779	2.7326	4.0625	2.8921	2.1733	1.0945	3.8546	2.3269	5.0516	3.8357	4.3392	3.3464	2.5243	1.7827		1.7669
H16	2.7326	3.3779	2.8921	4.0625	2.1733	1.0945	2.3269	3.8546	3.8357	5.0516	3.3464	4.3392	2.5243	1.7827	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.489	O1	C3	H9	106.906
O1	C3	H11	111.373	O1	C5	O2	104.817
O1	C5	C6	111.672	O1	C5	H13	109.069
O2	C4	H8	112.489	O2	C4	H10	106.906
O2	C4	H12	111.373	O2	C5	C6	111.672
O2	C5	H13	109.069	C3	O1	C5	114.269
C4	O2	C5	114.269	C5	C6	H14	108.669
C5	C6	H15	111.146	C5	C6	H16	111.146
C6	C5	H13	110.362	H7	C3	H9	108.540
H7	C3	H11	108.450	H8	C4	H10	108.540
H8	C4	H12	108.450	H9	C3	H11	108.991
H10	C4	H12	108.991	H14	C6	H15	109.107
H14	C6	H16	109.107	H15	C6	H16	107.626

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

using model chemistry: B97D3/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	-0.242
2	O	-0.242
3	C	-0.091
4	C	-0.091
5	C	0.277
6	C	-0.257
7	H	0.056
8	H	0.056
9	H	0.100
10	H	0.100
11	H	0.052
12	H	0.052
13	H	-0.009
14	H	0.089
15	H	0.075
16	H	0.075

	x	y	z	Total
	0.834	2.024	0.000	2.189
CHELPG
AIM
ESP

	x	y	z
x	8.611	-0.151	0.000
y	-0.151	7.896	0.000
z	0.000	0.000	10.950

<r²>	200.968
(<r²>)^1/2	14.176

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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