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	hartrees
Energy at 0K	-308.738733
Energy at 298.15K	-308.750369
Nuclear repulsion energy	253.071027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3148	3011	0.00
2	A_g	2999	2869	0.00
3	A_g	2987	2858	0.00
4	A_g	1556	1488	0.00
5	A_g	1530	1464	0.00
6	A_g	1505	1440	0.00
7	A_g	1463	1400	0.00
8	A_g	1255	1201	0.00
9	A_g	1197	1145	0.00
10	A_g	1097	1049	0.00
11	A_g	1042	997	0.00
12	A_g	401	383	0.00
13	A_g	332	317	0.00
14	A_u	3045	2914	7.63
15	A_u	3042	2910	254.01
16	A_u	1511	1445	12.15
17	A_u	1250	1196	12.52
18	A_u	1189	1137	2.28
19	A_u	844	807	0.26
20	A_u	244	234	8.66
21	A_u	102	98	7.67
22	A_u	70	67	3.16
23	B_g	3043	2911	0.00
24	B_g	3018	2887	0.00
25	B_g	1511	1445	0.00
26	B_g	1308	1251	0.00
27	B_g	1207	1154	0.00
28	B_g	1165	1115	0.00
29	B_g	228	218	0.00
30	B_g	126	120	0.00
31	B_u	3148	3011	65.23
32	B_u	3001	2871	145.47
33	B_u	2988	2859	82.16
34	B_u	1562	1495	2.19
35	B_u	1531	1465	25.25
36	B_u	1497	1433	5.21
37	B_u	1374	1315	33.36
38	B_u	1239	1186	214.40
39	B_u	1193	1141	173.76
40	B_u	995	952	62.62
41	B_u	506	484	3.96
42	B_u	143	137	3.99

Atom	x (Å)	y (Å)	z (Å)
O1	1.341	1.187	0.000
O2	-1.341	-1.187	0.000
C3	-1.456	-2.587	0.000
C4	1.456	2.587	0.000
C5	0.000	0.759	0.000
C6	0.000	-0.759	0.000
H7	2.524	2.824	0.000
H8	-2.524	-2.824	0.000
H9	-0.991	-3.036	0.893
H10	-0.991	-3.036	-0.893
H11	0.991	3.036	0.893
H12	0.991	3.036	-0.893
H13	-0.538	1.129	0.889
H14	-0.538	1.129	-0.889
H15	0.538	-1.129	0.889
H16	0.538	-1.129	-0.889

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5811	4.6973	1.4047	1.4072	2.3630	2.0201	5.5698	4.9059	4.9059	2.0829	2.0829	2.0789	2.0789	2.6075	2.6075
O2	3.5811		1.4047	4.6973	2.3630	1.4072	5.5698	2.0201	2.0829	2.0829	4.9059	4.9059	2.6075	2.6075	2.0789	2.0789
C3	4.6973	1.4047		5.9374	3.6491	2.3372	6.7173	1.0934	1.1024	1.1024	6.1972	6.1972	3.9298	3.9298	2.6253	2.6253
C4	1.4047	4.6973	5.9374		2.3372	3.6491	1.0934	6.7173	6.1972	6.1972	1.1024	1.1024	2.6253	2.6253	3.9298	3.9298
C5	1.4072	2.3630	3.6491	2.3372		1.5179	3.2611	4.3828	4.0226	4.0226	2.6390	2.6390	1.1030	1.1030	2.1551	2.1551
C6	2.3630	1.4072	2.3372	3.6491	1.5179		4.3828	3.2611	2.6390	2.6390	4.0226	4.0226	2.1551	2.1551	1.1030	1.1030
H7	2.0201	5.5698	6.7173	1.0934	3.2611	4.3828		7.5752	6.8916	6.8916	1.7863	1.7863	3.6106	3.6106	4.5127	4.5127
H8	5.5698	2.0201	1.0934	6.7173	4.3828	3.2611	7.5752		1.7863	1.7863	6.8916	6.8916	4.5127	4.5127	3.6106	3.6106
H9	4.9059	2.0829	1.1024	6.1972	4.0226	2.6390	6.8916	1.7863		1.7856	6.3874	6.6323	4.1898	4.5529	2.4441	3.0246
H10	4.9059	2.0829	1.1024	6.1972	4.0226	2.6390	6.8916	1.7863	1.7856		6.6323	6.3874	4.5529	4.1898	3.0246	2.4441
H11	2.0829	4.9059	6.1972	1.1024	2.6390	4.0226	1.7863	6.8916	6.3874	6.6323		1.7856	2.4441	3.0246	4.1898	4.5529
H12	2.0829	4.9059	6.1972	1.1024	2.6390	4.0226	1.7863	6.8916	6.6323	6.3874	1.7856		3.0246	2.4441	4.5529	4.1898
H13	2.0789	2.6075	3.9298	2.6253	1.1030	2.1551	3.6106	4.5127	4.1898	4.5529	2.4441	3.0246		1.7779	2.5014	3.0689
H14	2.0789	2.6075	3.9298	2.6253	1.1030	2.1551	3.6106	4.5127	4.5529	4.1898	3.0246	2.4441	1.7779		3.0689	2.5014
H15	2.6075	2.0789	2.6253	3.9298	2.1551	1.1030	4.5127	3.6106	2.4441	3.0246	4.1898	4.5529	2.5014	3.0689		1.7779
H16	2.6075	2.0789	2.6253	3.9298	2.1551	1.1030	4.5127	3.6106	3.0246	2.4441	4.5529	4.1898	3.0689	2.5014	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.274	O1	C4	H11	111.791
O1	C4	H12	111.791	O1	C5	C6	107.708
O1	C5	H13	111.246	O1	C5	H14	111.246
O2	C3	H8	107.274	O2	C3	H9	111.791
O2	C3	H10	111.791	O2	C6	C5	107.708
O2	C6	H15	111.246	O2	C6	H16	111.246
C3	O2	C6	112.439	C4	O1	C5	112.439
C5	C6	H15	109.614	C5	C6	H16	109.614
C6	C5	H13	109.614	C6	C5	H14	109.614
H7	C4	H11	108.876	H7	C4	H12	108.876
H8	C3	H9	108.876	H8	C3	H10	108.876
H9	C3	H10	108.164	H11	C4	H12	108.164
H13	C5	H14	107.408	H15	C6	H16	107.408

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	O	-0.466	-0.350
2	O	-0.466	-0.347
3	C	-0.251	-0.027
4	C	-0.251	-0.036
5	C	-0.072	0.115
6	C	-0.072	0.085
7	H	0.181	0.089
8	H	0.181	0.087
9	H	0.151	0.050
10	H	0.151	0.050
11	H	0.151	0.052
12	H	0.151	0.052
13	H	0.154	0.042
14	H	0.154	0.042
15	H	0.154	0.048
16	H	0.154	0.048

<r²>	268.527
(<r²>)^1/2	16.387

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

using model chemistry: B3PW91/6-31G*

States and conformations

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