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	hartrees
Energy at 0K	-308.887185
Energy at 298.15K	-308.898927
HF Energy	-308.887185
Nuclear repulsion energy	267.703615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3017	18.45
2	A'	3147	3011	20.95
3	A'	3067	2933	21.61
4	A'	3052	2920	76.22
5	A'	3001	2871	60.58
6	A'	2908	2782	67.49
7	A'	1523	1457	6.11
8	A'	1512	1447	4.51
9	A'	1496	1431	16.63
10	A'	1477	1413	3.32
11	A'	1412	1351	54.13
12	A'	1381	1321	3.34
13	A'	1278	1222	24.39
14	A'	1196	1144	22.57
15	A'	1187	1135	9.73
16	A'	1133	1084	9.50
17	A'	1091	1043	49.48
18	A'	850	814	5.98
19	A'	540	516	6.72
20	A'	452	432	9.34
21	A'	257	246	2.92
22	A'	193	184	1.21
23	A'	89	85	4.84
24	A"	3147	3011	18.64
25	A"	3140	3004	32.20
26	A"	3052	2920	15.41
27	A"	2999	2869	62.63
28	A"	1525	1459	7.37
29	A"	1498	1433	0.23
30	A"	1488	1423	11.23
31	A"	1478	1414	0.37
32	A"	1391	1331	51.98
33	A"	1230	1176	228.28
34	A"	1190	1138	6.59
35	A"	1182	1131	194.65
36	A"	1097	1049	26.18
37	A"	932	891	6.70
38	A"	482	461	2.01
39	A"	358	343	0.81
40	A"	232	222	0.00
41	A"	196	188	0.00
42	A"	81	77	0.12

Atom	x (Å)	y (Å)	z (Å)
O1	-0.464	-0.513	1.110
O2	-0.464	-0.513	-1.110
C3	-0.464	0.252	2.291
C4	-0.464	0.252	-2.291
C5	0.087	0.140	0.000
C6	1.605	0.062	0.000
H7	0.550	0.459	2.649
H8	0.550	0.459	-2.649
H9	-0.987	-0.330	3.046
H10	-0.987	-0.330	-3.046
H11	-0.987	1.204	2.146
H12	-0.987	1.204	-2.146
H13	-0.247	1.192	0.000
H14	1.900	-0.986	0.000
H15	2.021	0.552	-0.880
H16	2.021	0.552	0.880

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2205	1.4071	3.4863	1.4012	2.4172	2.0833	4.0130	2.0136	4.1930	2.0722	3.7181	2.0465	2.6539	3.3570	2.7130
O2	2.2205		3.4863	1.4071	1.4012	2.4172	4.0130	2.0833	4.1930	2.0136	3.7181	2.0722	2.0465	2.6539	2.7130	3.3570
C3	1.4071	3.4863		4.5822	2.3591	3.0927	1.0949	5.0473	1.0873	5.3942	1.0957	4.5681	2.4861	3.5169	4.0399	2.8731
C4	3.4863	1.4071	4.5822		2.3591	3.0927	5.0473	1.0949	5.3942	1.0873	4.5681	1.0957	2.4861	3.5169	2.8731	4.0399
C5	1.4012	1.4012	2.3591	2.3591		1.5197	2.7079	2.7079	3.2639	3.2639	2.6248	2.6248	1.1033	2.1342	2.1641	2.1641
C6	2.4172	2.4172	3.0927	3.0927	1.5197		2.8787	2.8787	4.0187	4.0187	3.5533	3.5533	2.1690	1.0888	1.0897	1.0897
H7	2.0833	4.0130	1.0949	5.0473	2.7079	2.8787		5.2980	1.7727	5.9512	1.7805	5.0901	2.8617	3.3055	3.8245	2.3023
H8	4.0130	2.0833	5.0473	1.0949	2.7079	2.8787	5.2980		5.9512	1.7727	5.0901	1.7805	2.8617	3.3055	2.3023	3.8245
H9	2.0136	4.1930	1.0873	5.3942	3.2639	4.0187	1.7727	5.9512		6.0920	1.7782	5.4138	3.4847	4.2477	5.0239	3.8100
H10	4.1930	2.0136	5.3942	1.0873	3.2639	4.0187	5.9512	1.7727	6.0920		5.4138	1.7782	3.4847	4.2477	3.8100	5.0239
H11	2.0722	3.7181	1.0957	4.5681	2.6248	3.5533	1.7805	5.0901	1.7782	5.4138		4.2921	2.2702	4.2111	4.3163	3.3278
H12	3.7181	2.0722	4.5681	1.0957	2.6248	3.5533	5.0901	1.7805	5.4138	1.7782	4.2921		2.2702	4.2111	3.3278	4.3163
H13	2.0465	2.0465	2.4861	2.4861	1.1033	2.1690	2.8617	2.8617	3.4847	3.4847	2.2702	2.2702		3.0580	2.5152	2.5152
H14	2.6539	2.6539	3.5169	3.5169	2.1342	1.0888	3.3055	3.3055	4.2477	4.2477	4.2111	4.2111	3.0580		1.7759	1.7759
H15	3.3570	2.7130	4.0399	2.8731	2.1641	1.0897	3.8245	2.3023	5.0239	3.8100	4.3163	3.3278	2.5152	1.7759		1.7604
H16	2.7130	3.3570	2.8731	4.0399	2.1641	1.0897	2.3023	3.8245	3.8100	5.0239	3.3278	4.3163	2.5152	1.7759	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.150	O1	C3	H9	106.962
O1	C3	H11	111.174	O1	C5	O2	104.807
O1	C5	C6	111.630	O1	C5	H13	109.012
O2	C4	H8	112.150	O2	C4	H10	106.962
O2	C4	H12	111.174	O2	C5	C6	111.630
O2	C5	H13	109.012	C3	O1	C5	114.288
C4	O2	C5	114.288	C5	C6	H14	108.676
C5	C6	H15	110.985	C5	C6	H16	110.985
C6	C5	H13	110.557	H7	C3	H9	108.652
H7	C3	H11	108.736	H8	C4	H10	108.652
H8	C4	H12	108.736	H9	C3	H11	109.089
H10	C4	H12	109.089	H14	C6	H15	109.209
H14	C6	H16	109.209	H15	C6	H16	107.746

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

using model chemistry: wB97X-D/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	-0.599
2	O	-0.599
3	C	-0.812
4	C	-0.812
5	C	0.793
6	C	-1.010
7	H	0.337
8	H	0.337
9	H	0.254
10	H	0.254
11	H	0.317
12	H	0.317
13	H	0.448
14	H	0.228
15	H	0.272
16	H	0.272

	x	y	z	Total
	0.884	2.261	0.000	2.427
CHELPG
AIM
ESP

	x	y	z
x	8.726	-0.007	0.000
y	-0.007	8.200	0.000
z	0.000	0.000	10.740

<r²>	198.303
(<r²>)^1/2	14.082

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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