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	hartrees
Energy at 0K	-308.728173
Energy at 298.15K	-308.739504
Nuclear repulsion energy	267.153988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3044	12.85
2	A	3151	3029	23.60
3	A	3063	2944	19.42
4	A	3049	2930	96.96
5	A	2991	2875	58.89
6	A	2910	2797	64.35
7	A	1481	1423	2.47
8	A	1465	1408	0.14
9	A	1447	1391	17.65
10	A	1440	1384	4.99
11	A	1391	1337	74.30
12	A	1348	1296	1.53
13	A	1257	1208	27.73
14	A	1194	1148	45.03
15	A	1159	1114	1.67
16	A	1120	1076	8.81
17	A	1086	1044	44.43
18	A	849	816	6.69
19	A	532	511	5.30
20	A	443	426	11.83
21	A	245	236	2.25
22	A	162	156	1.12
23	A	48	47	3.72
24	A	3151	3029	17.31
25	A	3147	3024	33.06
26	A	3048	2929	16.24
27	A	2988	2872	66.94
28	A	1483	1426	4.70
29	A	1462	1405	11.93
30	A	1452	1395	5.52
31	A	1439	1383	0.03
32	A	1382	1328	63.46
33	A	1205	1158	303.79
34	A	1173	1127	162.30
35	A	1157	1112	0.26
36	A	1092	1049	1.39
37	A	915	880	6.41
38	A	457	439	2.02
39	A	333	321	0.92
40	A	221	212	0.13
41	A	170	163	0.00
42	A	24	23	0.13

Atom	x (Å)	y (Å)	z (Å)
O1	-0.481	-0.481	1.107
O2	-0.481	-0.481	-1.107
C3	-0.481	0.313	2.262
C4	-0.481	0.313	-2.262
C5	0.127	0.124	0.000
C6	1.627	-0.105	0.000
H7	0.535	0.502	2.655
H8	0.535	0.502	-2.655
H9	-1.048	-0.231	3.027
H10	-1.048	-0.231	-3.027
H11	-0.969	1.290	2.087
H12	-0.969	1.290	-2.087
H13	-0.105	1.213	0.000
H14	1.818	-1.186	0.000
H15	2.098	0.341	-0.887
H16	2.098	0.341	0.887

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.2142	1.4014	3.4612	1.4001	2.4100	2.0959	4.0186	2.0169	4.1798	2.0825	3.6849	2.0584	2.6469	3.3614	2.7152
O2	2.2142		3.4612	1.4014	1.4001	2.4100	4.0186	2.0959	4.1798	2.0169	3.6849	2.0825	2.0584	2.6469	2.7152	3.3614
C3	1.4014	3.4612		4.5236	2.3496	3.1196	1.1055	5.0239	1.0967	5.3464	1.1063	4.4839	2.4631	3.5562	4.0697	2.9223
C4	3.4612	1.4014	4.5236		2.3496	3.1196	5.0239	1.1055	5.3464	1.0967	4.4839	1.1063	2.4631	3.5562	2.9223	4.0697
C5	1.4001	1.4001	2.3496	2.3496		1.5173	2.7124	2.7124	3.2657	3.2657	2.6301	2.6301	1.1140	2.1390	2.1722	2.1722
C6	2.4100	2.4100	3.1196	3.1196	1.5173		2.9338	2.9338	4.0408	4.0408	3.6112	3.6112	2.1766	1.0977	1.0988	1.0988
H7	2.0959	4.0186	1.1055	5.0239	2.7124	2.9338		5.3094	1.7836	5.9430	1.7908	5.0367	2.8220	3.3973	3.8742	2.3649
H8	4.0186	2.0959	5.0239	1.1055	2.7124	2.9338	5.3094		5.9430	1.7836	5.0367	1.7908	2.8220	3.3973	2.3649	3.8742
H9	2.0169	4.1798	1.0967	5.3464	3.2657	4.0408	1.7836	5.9430		6.0531	1.7901	5.3357	3.4835	4.2758	5.0532	3.8470
H10	4.1798	2.0169	5.3464	1.0967	3.2657	4.0408	5.9430	1.7836	6.0531		5.3357	1.7901	3.4835	4.2758	3.8470	5.0532
H11	2.0825	3.6849	1.1063	4.4839	2.6301	3.6112	1.7908	5.0367	1.7901	5.3357		4.1740	2.2600	4.2726	4.3760	3.4274
H12	3.6849	2.0825	4.4839	1.1063	2.6301	3.6112	5.0367	1.7908	5.3357	1.7901	4.1740		2.2600	4.2726	3.4274	4.3760
H13	2.0584	2.0584	2.4631	2.4631	1.1140	2.1766	2.8220	2.8220	3.4835	3.4835	2.2600	2.2600		3.0748	2.5297	2.5297
H14	2.6469	2.6469	3.5562	3.5562	2.1390	1.0977	3.3973	3.3973	4.2758	4.2758	4.2726	4.2726	3.0748		1.7879	1.7879
H15	3.3614	2.7152	4.0697	2.9223	2.1722	1.0988	3.8742	2.3649	5.0532	3.8470	4.3760	3.4274	2.5297	1.7879		1.7735
H16	2.7152	3.3614	2.9223	4.0697	2.1722	1.0988	2.3649	3.8742	3.8470	5.0532	3.4274	4.3760	2.5297	1.7879	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	H7	112.924	O1	C3	H9	107.051
O1	C3	H11	111.743	O1	C5	O2	104.513
O1	C5	C6	111.331	O1	C5	H13	109.396
O2	C4	H8	112.924	O2	C4	H10	107.051
O2	C4	H12	111.743	O2	C5	C6	111.331
O2	C5	H13	109.396	C3	O1	C5	114.005
C4	O2	C5	114.005	C5	C6	H14	108.701
C5	C6	H15	111.255	C5	C6	H16	111.255
C6	C5	H13	110.687	H7	C3	H9	108.174
H7	C3	H11	108.122	H8	C4	H10	108.174
H8	C4	H12	108.122	H9	C3	H11	108.698
H10	C4	H12	108.698	H14	C6	H15	108.982
H14	C6	H16	108.982	H15	C6	H16	107.615

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

using model chemistry: B1B95/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	-0.294
2	O	-0.294
3	C	0.094
4	C	0.094
5	C	0.178
6	C	-0.014
7	H	0.017
8	H	0.017
9	H	0.044
10	H	0.044
11	H	0.019
12	H	0.019
13	H	-0.022
14	H	0.048
15	H	0.025
16	H	0.025

	x	y	z	Total
	0.906	2.020	0.000	2.213
CHELPG
AIM
ESP

	x	y	z
x	7.509	-0.234	0.000
y	-0.234	6.889	0.000
z	0.000	0.000	9.572

<r²>	197.877
(<r²>)^1/2	14.067

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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