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	hartrees
Energy at 0K	-308.794467
Energy at 298.15K	-308.805943
HF Energy	-308.794467
Nuclear repulsion energy	251.607583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3062	3015	0.00
2	A_g	2918	2874	0.00
3	A_g	2907	2862	0.00
4	A_g	1489	1466	0.00
5	A_g	1470	1447	0.00
6	A_g	1446	1424	0.00
7	A_g	1405	1384	0.00
8	A_g	1205	1187	0.00
9	A_g	1112	1095	0.00
10	A_g	1051	1035	0.00
11	A_g	980	965	0.00
12	A_g	386	380	0.00
13	A_g	325	320	0.00
14	A_u	2960	2915	4.63
15	A_u	2955	2910	249.49
16	A_u	1455	1432	12.15
17	A_u	1207	1188	10.52
18	A_u	1148	1130	3.66
19	A_u	819	806	0.21
20	A_u	231	228	6.46
21	A_u	88	86	6.52
22	A_u	61	60	3.00
23	B_g	2957	2911	0.00
24	B_g	2931	2886	0.00
25	B_g	1455	1432	0.00
26	B_g	1272	1253	0.00
27	B_g	1161	1143	0.00
28	B_g	1123	1105	0.00
29	B_g	219	215	0.00
30	B_g	118	117	0.00
31	B_u	3062	3015	62.99
32	B_u	2921	2876	179.70
33	B_u	2909	2864	94.50
34	B_u	1498	1475	2.91
35	B_u	1471	1448	17.39
36	B_u	1441	1419	2.19
37	B_u	1335	1315	23.00
38	B_u	1183	1165	53.96
39	B_u	1113	1096	349.12
40	B_u	925	911	61.38
41	B_u	497	489	3.06
42	B_u	144	142	3.27

Atom	x (Å)	y (Å)	z (Å)
O1	0.432	1.752	0.000
O2	-0.432	-1.752	0.000
C3	0.280	-2.978	0.000
C4	-0.280	2.978	0.000
C5	-0.432	0.626	0.000
C6	0.432	-0.626	0.000
H7	0.460	3.781	0.000
H8	-0.460	-3.781	0.000
H9	0.917	-3.072	0.894
H10	0.917	-3.072	-0.894
H11	-0.917	3.072	0.894
H12	-0.917	3.072	-0.894
H13	-1.082	0.632	0.890
H14	-1.082	0.632	-0.890
H15	1.082	-0.632	0.890
H16	1.082	-0.632	-0.890

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6090	4.7320	1.4180	1.4200	2.3776	2.0293	5.6044	4.9304	4.9304	2.0892	2.0892	2.0836	2.0836	2.6265	2.6265
O2	3.6090		1.4180	4.7320	2.3776	1.4200	5.6044	2.0293	2.0892	2.0892	4.9304	4.9304	2.6265	2.6265	2.0836	2.0836
C3	4.7320	1.4180		5.9817	3.6732	2.3569	6.7610	1.0926	1.1019	1.1019	6.2320	6.2320	3.9598	3.9598	2.6340	2.6340
C4	1.4180	4.7320	5.9817		2.3569	3.6732	1.0926	6.7610	6.2320	6.2320	1.1019	1.1019	2.6340	2.6340	3.9598	3.9598
C5	1.4200	2.3776	3.6732	2.3569		1.5211	3.2792	4.4067	4.0369	4.0369	2.6498	2.6498	1.1024	1.1024	2.1608	2.1608
C6	2.3776	1.4200	2.3569	3.6732	1.5211		4.4067	3.2792	2.6498	2.6498	4.0369	4.0369	2.1608	2.1608	1.1024	1.1024
H7	2.0293	5.6044	6.7610	1.0926	3.2792	4.4067		7.6178	6.9266	6.9266	1.7886	1.7886	3.6178	3.6178	4.5447	4.5447
H8	5.6044	2.0293	1.0926	6.7610	4.4067	3.2792	7.6178		1.7886	1.7886	6.9266	6.9266	4.5447	4.5447	3.6178	3.6178
H9	4.9304	2.0892	1.1019	6.2320	4.0369	2.6498	6.9266	1.7886		1.7884	6.4128	6.6575	4.2097	4.5723	2.4460	3.0278
H10	4.9304	2.0892	1.1019	6.2320	4.0369	2.6498	6.9266	1.7886	1.7884		6.6575	6.4128	4.5723	4.2097	3.0278	2.4460
H11	2.0892	4.9304	6.2320	1.1019	2.6498	4.0369	1.7886	6.9266	6.4128	6.6575		1.7884	2.4460	3.0278	4.2097	4.5723
H12	2.0892	4.9304	6.2320	1.1019	2.6498	4.0369	1.7886	6.9266	6.6575	6.4128	1.7884		3.0278	2.4460	4.5723	4.2097
H13	2.0836	2.6265	3.9598	2.6340	1.1024	2.1608	3.6178	4.5447	4.2097	4.5723	2.4460	3.0278		1.7809	2.5067	3.0749
H14	2.0836	2.6265	3.9598	2.6340	1.1024	2.1608	3.6178	4.5447	4.5723	4.2097	3.0278	2.4460	1.7809		3.0749	2.5067
H15	2.6265	2.0836	2.6340	3.9598	2.1608	1.1024	4.5447	3.6178	2.4460	3.0278	4.2097	4.5723	2.5067	3.0749		1.7809
H16	2.6265	2.0836	2.6340	3.9598	2.1608	1.1024	4.5447	3.6178	3.0278	2.4460	4.5723	4.2097	3.0749	2.5067	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.146	O1	C4	H11	111.398
O1	C4	H12	111.398	O1	C5	C6	107.827
O1	C5	H13	110.760	O1	C5	H14	110.760
O2	C3	H8	107.146	O2	C3	H9	111.398
O2	C3	H10	111.398	O2	C6	C5	107.827
O2	C6	H15	110.760	O2	C6	H16	110.760
C3	O2	C6	112.302	C4	O1	C5	112.302
C5	C6	H15	109.875	C5	C6	H16	109.875
C6	C5	H13	109.875	C6	C5	H14	109.875
H7	C4	H11	109.182	H7	C4	H12	109.182
H8	C3	H9	109.182	H8	C3	H10	109.182
H9	C3	H10	108.490	H11	C4	H12	108.490
H13	C5	H14	107.750	H15	C6	H16	107.750

All results from a given calculation for C₄H₁₀O₂ (Ethane, 1,2-dimethoxy-)

using model chemistry: B97D3/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	-0.496
2	O	-0.496
3	C	-0.474
4	C	-0.474
5	C	0.109
6	C	0.109
7	H	0.151
8	H	0.151
9	H	0.198
10	H	0.198
11	H	0.198
12	H	0.198
13	H	0.157
14	H	0.157
15	H	0.157
16	H	0.157

	x	y	z
x	9.047	-0.396	0.000
y	-0.396	12.461	0.000
z	0.000	0.000	8.572

<r²>	272.446
(<r²>)^1/2	16.506

All results from a given calculation for C4H10O2 (Ethane, 1,2-dimethoxy-)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₁₀O₂ (Ethane, 1,2-dimethoxy-)