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	hartrees
Energy at 0K	-308.748120
Energy at 298.15K	-308.759597
Nuclear repulsion energy	250.366485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3034	3017	0.00
2	A_g	2890	2874	0.00
3	A_g	2875	2859	0.00
4	A_g	1491	1482	0.00
5	A_g	1464	1456	0.00
6	A_g	1442	1434	0.00
7	A_g	1395	1388	0.00
8	A_g	1200	1193	0.00
9	A_g	1101	1095	0.00
10	A_g	1040	1034	0.00
11	A_g	969	964	0.00
12	A_g	382	380	0.00
13	A_g	324	322	0.00
14	A_u	2924	2908	11.24
15	A_u	2920	2904	245.80
16	A_u	1444	1436	7.69
17	A_u	1194	1187	12.37
18	A_u	1143	1137	2.06
19	A_u	815	810	0.26
20	A_u	240	238	5.48
21	A_u	93	93	6.29
22	A_u	68	67	2.08
23	B_g	2921	2905	0.00
24	B_g	2896	2880	0.00
25	B_g	1444	1436	0.00
26	B_g	1252	1245	0.00
27	B_g	1162	1156	0.00
28	B_g	1121	1115	0.00
29	B_g	229	228	0.00
30	B_g	123	122	0.00
31	B_u	3034	3017	64.16
32	B_u	2891	2875	155.28
33	B_u	2878	2862	80.47
34	B_u	1498	1490	0.74
35	B_u	1467	1459	20.26
36	B_u	1439	1431	5.85
37	B_u	1327	1319	37.04
38	B_u	1177	1170	53.16
39	B_u	1106	1100	315.24
40	B_u	917	912	50.61
41	B_u	491	489	3.10
42	B_u	142	141	2.79

Atom	x (Å)	y (Å)	z (Å)
O1	0.437	1.756	0.000
O2	-0.437	-1.756	0.000
C3	0.269	-2.991	0.000
C4	-0.269	2.991	0.000
C5	-0.437	0.630	0.000
C6	0.437	-0.630	0.000
H7	0.482	3.794	0.000
H8	-0.482	-3.794	0.000
H9	0.912	-3.100	0.898
H10	0.912	-3.100	-0.898
H11	-0.912	3.100	0.898
H12	-0.912	3.100	-0.898
H13	-1.094	0.631	0.894
H14	-1.094	0.631	-0.894
H15	1.094	-0.631	0.894
H16	1.094	-0.631	-0.894

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6191	4.7504	1.4229	1.4254	2.3857	2.0384	5.6257	4.9616	4.9616	2.1055	2.1055	2.1000	2.1000	2.6321	2.6321
O2	3.6191		1.4229	4.7504	2.3857	1.4254	5.6257	2.0384	2.1055	2.1055	4.9616	4.9616	2.6321	2.6321	2.1000	2.1000
C3	4.7504	1.4229		6.0070	3.6893	2.3677	6.7887	1.0997	1.1095	1.1095	6.2700	6.2700	3.9721	3.9721	2.6558	2.6558
C4	1.4229	4.7504	6.0070		2.3677	3.6893	1.0997	6.7887	6.2700	6.2700	1.1095	1.1095	2.6558	2.6558	3.9721	3.9721
C5	1.4254	2.3857	3.6893	2.3677		1.5327	3.2951	4.4239	4.0669	4.0669	2.6714	2.6714	1.1099	1.1099	2.1753	2.1753
C6	2.3857	1.4254	2.3677	3.6893	1.5327		4.4239	3.2951	2.6714	2.6714	4.0669	4.0669	2.1753	2.1753	1.1099	1.1099
H7	2.0384	5.6257	6.7887	1.0997	3.2951	4.4239		7.6491	6.9659	6.9659	1.7978	1.7978	3.6458	3.6458	4.5554	4.5554
H8	5.6257	2.0384	1.0997	6.7887	4.4239	3.2951	7.6491		1.7978	1.7978	6.9659	6.9659	4.5554	4.5554	3.6458	3.6458
H9	4.9616	2.1055	1.1095	6.2700	4.0669	2.6714	6.9659	1.7978		1.7952	6.4637	6.7084	4.2363	4.5997	2.4765	3.0568
H10	4.9616	2.1055	1.1095	6.2700	4.0669	2.6714	6.9659	1.7978	1.7952		6.7084	6.4637	4.5997	4.2363	3.0568	2.4765
H11	2.1055	4.9616	6.2700	1.1095	2.6714	4.0669	1.7978	6.9659	6.4637	6.7084		1.7952	2.4765	3.0568	4.2363	4.5997
H12	2.1055	4.9616	6.2700	1.1095	2.6714	4.0669	1.7978	6.9659	6.7084	6.4637	1.7952		3.0568	2.4765	4.5997	4.2363
H13	2.1000	2.6321	3.9721	2.6558	1.1099	2.1753	3.6458	4.5554	4.2363	4.5997	2.4765	3.0568		1.7887	2.5256	3.0949
H14	2.1000	2.6321	3.9721	2.6558	1.1099	2.1753	3.6458	4.5554	4.5997	4.2363	3.0568	2.4765	1.7887		3.0949	2.5256
H15	2.6321	2.1000	2.6558	3.9721	2.1753	1.1099	4.5554	3.6458	2.4765	3.0568	4.2363	4.5997	2.5256	3.0949		1.7887
H16	2.6321	2.1000	2.6558	3.9721	2.1753	1.1099	4.5554	3.6458	3.0568	2.4765	4.5997	4.2363	3.0949	2.5256	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.118	O1	C4	H11	111.893
O1	C4	H12	111.893	O1	C5	C6	107.456
O1	C5	H13	111.239	O1	C5	H14	111.239
O2	C3	H8	107.118	O2	C3	H9	111.893
O2	C3	H10	111.893	O2	C6	C5	107.456
O2	C6	H15	111.239	O2	C6	H16	111.239
C3	O2	C6	112.451	C4	O1	C5	112.451
C5	C6	H15	109.769	C5	C6	H16	109.769
C6	C5	H13	109.769	C6	C5	H14	109.769
H7	C4	H11	108.931	H7	C4	H12	108.931
H8	C3	H9	108.931	H8	C3	H10	108.931
H9	C3	H10	108.006	H11	C4	H12	108.006
H13	C5	H14	107.375	H15	C6	H16	107.375

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.179
2	O	-0.179
3	C	-0.210
4	C	-0.210
5	C	-0.066
6	C	-0.066
7	H	0.111
8	H	0.111
9	H	0.092
10	H	0.092
11	H	0.092
12	H	0.092
13	H	0.080
14	H	0.080
15	H	0.080
16	H	0.080

	x	y	z
x	7.300	-0.226	0.000
y	-0.226	10.930	0.000
z	0.000	0.000	7.185

<r²>	274.386
(<r²>)^1/2	16.565

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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