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	hartrees
Energy at 0K	-308.464257
Energy at 298.15K	-308.475797
Nuclear repulsion energy	251.462038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3070	3020	0.00
2	A_g	2914	2866	0.00
3	A_g	2899	2851	0.00
4	A_g	1510	1485	0.00
5	A_g	1484	1460	0.00
6	A_g	1456	1432	0.00
7	A_g	1412	1388	0.00
8	A_g	1210	1190	0.00
9	A_g	1147	1128	0.00
10	A_g	1064	1046	0.00
11	A_g	1003	987	0.00
12	A_g	390	384	0.00
13	A_g	326	321	0.00
14	A_u	2955	2906	11.71
15	A_u	2949	2901	255.91
16	A_u	1462	1438	11.64
17	A_u	1206	1186	10.42
18	A_u	1150	1131	1.41
19	A_u	821	808	0.16
20	A_u	248	244	7.10
21	A_u	98	96	6.68
22	A_u	71	70	2.95
23	B_g	2953	2904	0.00
24	B_g	2924	2876	0.00
25	B_g	1462	1438	0.00
26	B_g	1263	1242	0.00
27	B_g	1169	1149	0.00
28	B_g	1128	1109	0.00
29	B_g	235	231	0.00
30	B_g	128	126	0.00
31	B_u	3070	3020	60.89
32	B_u	2915	2867	160.44
33	B_u	2902	2854	80.52
34	B_u	1517	1492	1.35
35	B_u	1486	1462	25.83
36	B_u	1450	1426	5.57
37	B_u	1328	1306	29.19
38	B_u	1188	1168	133.03
39	B_u	1149	1130	228.95
40	B_u	957	941	57.47
41	B_u	495	487	3.49
42	B_u	143	141	3.44

Atom	x (Å)	y (Å)	z (Å)
O1	0.434	1.748	0.000
O2	-0.434	-1.748	0.000
C3	0.285	-2.968	0.000
C4	-0.285	2.968	0.000
C5	-0.434	0.627	0.000
C6	0.434	-0.627	0.000
H7	0.458	3.781	0.000
H8	-0.458	-3.781	0.000
H9	0.930	-3.069	0.899
H10	0.930	-3.069	-0.899
H11	-0.930	3.069	0.899
H12	-0.930	3.069	-0.899
H13	-1.093	0.625	0.896
H14	-1.093	0.625	-0.896
H15	1.093	-0.625	0.896
H16	1.093	-0.625	-0.896

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6032	4.7188	1.4158	1.4185	2.3752	2.0328	5.6011	4.9257	4.9257	2.1011	2.1011	2.0970	2.0970	2.6216	2.6216
O2	3.6032		1.4158	4.7188	2.3752	1.4185	5.6011	2.0328	2.1011	2.1011	4.9257	4.9257	2.6216	2.6216	2.0970	2.0970
C3	4.7188	1.4158		5.9632	3.6659	2.3459	6.7513	1.1015	1.1116	1.1116	6.2233	6.2233	3.9516	3.9516	2.6351	2.6351
C4	1.4158	4.7188	5.9632		2.3459	3.6659	1.1015	6.7513	6.2233	6.2233	1.1116	1.1116	2.6351	2.6351	3.9516	3.9516
C5	1.4185	2.3752	3.6659	2.3459		1.5248	3.2781	4.4080	4.0409	4.0409	2.6494	2.6494	1.1124	1.1124	2.1689	2.1689
C6	2.3752	1.4185	2.3459	3.6659	1.5248		4.4080	3.2781	2.6494	2.6494	4.0409	4.0409	2.1689	2.1689	1.1124	1.1124
H7	2.0328	5.6011	6.7513	1.1015	3.2781	4.4080		7.6175	6.9250	6.9250	1.8010	1.8010	3.6287	3.6287	4.5415	4.5415
H8	5.6011	2.0328	1.1015	6.7513	4.4080	3.2781	7.6175		1.8010	1.8010	6.9250	6.9250	4.5415	4.5415	3.6287	3.6287
H9	4.9257	2.1011	1.1116	6.2233	4.0409	2.6494	6.9250	1.8010		1.7990	6.4137	6.6612	4.2123	4.5790	2.4489	3.0366
H10	4.9257	2.1011	1.1116	6.2233	4.0409	2.6494	6.9250	1.8010	1.7990		6.6612	6.4137	4.5790	4.2123	3.0366	2.4489
H11	2.1011	4.9257	6.2233	1.1116	2.6494	4.0409	1.8010	6.9250	6.4137	6.6612		1.7990	2.4489	3.0366	4.2123	4.5790
H12	2.1011	4.9257	6.2233	1.1116	2.6494	4.0409	1.8010	6.9250	6.6612	6.4137	1.7990		3.0366	2.4489	4.5790	4.2123
H13	2.0970	2.6216	3.9516	2.6351	1.1124	2.1689	3.6287	4.5415	4.2123	4.5790	2.4489	3.0366		1.7920	2.5192	3.0916
H14	2.0970	2.6216	3.9516	2.6351	1.1124	2.1689	3.6287	4.5415	4.5790	4.2123	3.0366	2.4489	1.7920		3.0916	2.5192
H15	2.6216	2.0970	2.6351	3.9516	2.1689	1.1124	4.5415	3.6287	2.4489	3.0366	4.2123	4.5790	2.5192	3.0916		1.7920
H16	2.6216	2.0970	2.6351	3.9516	2.1689	1.1124	4.5415	3.6287	3.0366	2.4489	4.5790	4.2123	3.0916	2.5192	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.054	O1	C4	H11	111.910
O1	C4	H12	111.910	O1	C5	C6	107.551
O1	C5	H13	111.329	O1	C5	H14	111.329
O2	C3	H8	107.054	O2	C3	H9	111.910
O2	C3	H10	111.910	O2	C6	C5	107.551
O2	C6	H15	111.329	O2	C6	H16	111.329
C3	O2	C6	111.724	C4	O1	C5	111.724
C5	C6	H15	109.661	C5	C6	H16	109.661
C6	C5	H13	109.661	C6	C5	H14	109.661
H7	C4	H11	108.934	H7	C4	H12	108.934
H8	C3	H9	108.934	H8	C3	H10	108.934
H9	C3	H10	108.032	H11	C4	H12	108.032
H13	C5	H14	107.307	H15	C6	H16	107.307

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

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.418
2	O	-0.418
3	C	-0.247
4	C	-0.247
5	C	-0.074
6	C	-0.074
7	H	0.170
8	H	0.170
9	H	0.142
10	H	0.142
11	H	0.142
12	H	0.142
13	H	0.142
14	H	0.142
15	H	0.142
16	H	0.142

	x	y	z
x	6.991	-0.194	0.000
y	-0.194	10.208	0.000
z	0.000	0.000	6.898

<r²>	271.216
(<r²>)^1/2	16.469

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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