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	hartrees
Energy at 0K	-308.551873
Energy at 298.15K	-308.563385
Nuclear repulsion energy	251.521487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3053	3025	0.00
2	A_g	2898	2871	0.00
3	A_g	2886	2860	0.00
4	A_g	1478	1465	0.00
5	A_g	1453	1440	0.00
6	A_g	1430	1417	0.00
7	A_g	1393	1380	0.00
8	A_g	1197	1186	0.00
9	A_g	1128	1118	0.00
10	A_g	1056	1047	0.00
11	A_g	988	979	0.00
12	A_g	387	384	0.00
13	A_g	321	318	0.00
14	A_u	2940	2914	19.25
15	A_u	2934	2907	253.55
16	A_u	1428	1415	15.38
17	A_u	1190	1179	10.86
18	A_u	1134	1123	2.31
19	A_u	818	810	0.25
20	A_u	241	239	6.69
21	A_u	95	94	8.15
22	A_u	67	66	2.35
23	B_g	2935	2908	0.00
24	B_g	2911	2885	0.00
25	B_g	1428	1415	0.00
26	B_g	1248	1236	0.00
27	B_g	1151	1141	0.00
28	B_g	1112	1102	0.00
29	B_g	229	227	0.00
30	B_g	125	124	0.00
31	B_u	3053	3025	58.74
32	B_u	2900	2874	160.73
33	B_u	2887	2861	95.14
34	B_u	1485	1472	2.60
35	B_u	1454	1440	26.63
36	B_u	1424	1411	1.71
37	B_u	1315	1303	16.52
38	B_u	1172	1162	95.78
39	B_u	1129	1118	269.63
40	B_u	940	932	61.95
41	B_u	490	485	3.28
42	B_u	142	141	3.57

Atom	x (Å)	y (Å)	z (Å)
O1	0.434	1.748	0.000
O2	-0.434	-1.748	0.000
C3	0.284	-2.971	0.000
C4	-0.284	2.971	0.000
C5	-0.434	0.625	0.000
C6	0.434	-0.625	0.000
H7	0.458	3.781	0.000
H8	-0.458	-3.781	0.000
H9	0.926	-3.070	0.899
H10	0.926	-3.070	-0.899
H11	-0.926	3.070	0.899
H12	-0.926	3.070	-0.899
H13	-1.089	0.623	0.896
H14	-1.089	0.623	-0.896
H15	1.089	-0.623	0.896
H16	1.089	-0.623	-0.896

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6027	4.7215	1.4172	1.4195	2.3731	2.0330	5.6010	4.9266	4.9266	2.0985	2.0985	2.0945	2.0945	2.6181	2.6181
O2	3.6027		1.4172	4.7215	2.3731	1.4195	5.6010	2.0330	2.0985	2.0985	4.9266	4.9266	2.6181	2.6181	2.0945	2.0945
C3	4.7215	1.4172		5.9685	3.6663	2.3509	6.7542	1.0985	1.1090	1.1090	6.2263	6.2263	3.9497	3.9497	2.6387	2.6387
C4	1.4172	4.7215	5.9685		2.3509	3.6663	1.0985	6.7542	6.2263	6.2263	1.1090	1.1090	2.6387	2.6387	3.9497	3.9497
C5	1.4195	2.3731	3.6663	2.3509		1.5209	3.2800	4.4060	4.0385	4.0385	2.6518	2.6518	1.1097	1.1097	2.1625	2.1625
C6	2.3731	1.4195	2.3509	3.6663	1.5209		4.4060	3.2800	2.6518	2.6518	4.0385	4.0385	2.1625	2.1625	1.1097	1.1097
H7	2.0330	5.6010	6.7542	1.0985	3.2800	4.4060		7.6177	6.9262	6.9262	1.7965	1.7965	3.6290	3.6290	4.5383	4.5383
H8	5.6010	2.0330	1.0985	6.7542	4.4060	3.2800	7.6177		1.7965	1.7965	6.9262	6.9262	4.5383	4.5383	3.6290	3.6290
H9	4.9266	2.0985	1.1090	6.2263	4.0385	2.6518	6.9262	1.7965		1.7973	6.4140	6.6611	4.2072	4.5738	2.4530	3.0391
H10	4.9266	2.0985	1.1090	6.2263	4.0385	2.6518	6.9262	1.7965	1.7973		6.6611	6.4140	4.5738	4.2072	3.0391	2.4530
H11	2.0985	4.9266	6.2263	1.1090	2.6518	4.0385	1.7965	6.9262	6.4140	6.6611		1.7973	2.4530	3.0391	4.2072	4.5738
H12	2.0985	4.9266	6.2263	1.1090	2.6518	4.0385	1.7965	6.9262	6.6611	6.4140	1.7973		3.0391	2.4530	4.5738	4.2072
H13	2.0945	2.6181	3.9497	2.6387	1.1097	2.1625	3.6290	4.5383	4.2072	4.5738	2.4530	3.0391		1.7911	2.5090	3.0827
H14	2.0945	2.6181	3.9497	2.6387	1.1097	2.1625	3.6290	4.5383	4.5738	4.2072	3.0391	2.4530	1.7911		3.0827	2.5090
H15	2.6181	2.0945	2.6387	3.9497	2.1625	1.1097	4.5383	3.6290	2.4530	3.0391	4.2072	4.5738	2.5090	3.0827		1.7911
H16	2.6181	2.0945	2.6387	3.9497	2.1625	1.1097	4.5383	3.6290	3.0391	2.4530	4.5738	4.2072	3.0827	2.5090	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.142	O1	C4	H11	111.753
O1	C4	H12	111.753	O1	C5	C6	107.572
O1	C5	H13	111.227	O1	C5	H14	111.227
O2	C3	H8	107.142	O2	C3	H9	111.753
O2	C3	H10	111.753	O2	C6	C5	107.572
O2	C6	H15	111.227	O2	C6	H16	111.227
C3	O2	C6	111.938	C4	O1	C5	111.938
C5	C6	H15	109.599	C5	C6	H16	109.599
C6	C5	H13	109.599	C6	C5	H14	109.599
H7	C4	H11	108.937	H7	C4	H12	108.937
H8	C3	H9	108.937	H8	C3	H10	108.937
H9	C3	H10	108.251	H11	C4	H12	108.251
H13	C5	H14	107.611	H15	C6	H16	107.611

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

using model chemistry: PBEPBE/6-311G**

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	-0.327
2	O	-0.327
3	C	-0.158
4	C	-0.158
5	C	-0.062
6	C	-0.062
7	H	0.126
8	H	0.126
9	H	0.102
10	H	0.102
11	H	0.102
12	H	0.102
13	H	0.109
14	H	0.109
15	H	0.109
16	H	0.109

	x	y	z
x	7.706	-0.336	0.000
y	-0.336	11.070	0.000
z	0.000	0.000	7.506

<r²>	271.674
(<r²>)^1/2	16.483

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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