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	hartrees
Energy at 0K	-308.816187
Energy at 298.15K	-308.827556
Nuclear repulsion energy	247.684115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3163	3041	0.00
2	A_g	3017	2899	0.00
3	A_g	2997	2881	0.00
4	A_g	1535	1476	0.00
5	A_g	1516	1457	0.00
6	A_g	1488	1431	0.00
7	A_g	1444	1388	0.00
8	A_g	1211	1164	0.00
9	A_g	1134	1090	0.00
10	A_g	1075	1033	0.00
11	A_g	952	915	0.00
12	A_g	380	365	0.00
13	A_g	313	301	0.00
14	A_u	3088	2968	135.91
15	A_u	3069	2950	156.03
16	A_u	1505	1446	23.34
17	A_u	1213	1166	11.47
18	A_u	1149	1104	0.11
19	A_u	859	826	0.39
20	A_u	218	210	13.23
21	A_u	91	88	17.72
22	A_u	66	63	5.05
23	B_g	3069	2950	0.00
24	B_g	3058	2939	0.00
25	B_g	1505	1446	0.00
26	B_g	1298	1248	0.00
27	B_g	1165	1120	0.00
28	B_g	1132	1088	0.00
29	B_g	206	198	0.00
30	B_g	110	106	0.00
31	B_u	3163	3041	73.33
32	B_u	3021	2903	128.05
33	B_u	2996	2880	142.69
34	B_u	1543	1483	7.32
35	B_u	1516	1457	26.51
36	B_u	1483	1426	0.41
37	B_u	1379	1326	8.92
38	B_u	1189	1143	41.24
39	B_u	1116	1073	245.45
40	B_u	887	853	44.85
41	B_u	482	463	6.61
42	B_u	138	133	8.11

Atom	x (Å)	y (Å)	z (Å)
O1	1.397	1.178	0.000
O2	-1.397	-1.178	0.000
C3	-1.569	-2.620	0.000
C4	1.569	2.620	0.000
C5	0.000	0.762	0.000
C6	0.000	-0.762	0.000
H7	2.647	2.805	0.000
H8	-2.647	-2.805	0.000
H9	-1.120	-3.079	0.896
H10	-1.120	-3.079	-0.896
H11	1.120	3.079	0.896
H12	1.120	3.079	-0.896
H13	-0.521	1.141	0.894
H14	-0.521	1.141	-0.894
H15	0.521	-1.141	0.894
H16	0.521	-1.141	-0.894

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6549	4.8196	1.4524	1.4575	2.3911	2.0514	5.6761	5.0260	5.0260	2.1194	2.1194	2.1161	2.1161	2.6357	2.6357
O2	3.6549		1.4524	4.8196	2.3911	1.4575	5.6761	2.0514	2.1194	2.1194	5.0260	5.0260	2.6357	2.6357	2.1161	2.1161
C3	4.8196	1.4524		6.1088	3.7291	2.4321	6.8710	1.0933	1.1024	1.1024	6.3653	6.3653	4.0060	4.0060	2.7122	2.7122
C4	1.4524	4.8196	6.1088		2.4321	3.7291	1.0933	6.8710	6.3653	6.3653	1.1024	1.1024	2.7122	2.7122	4.0060	4.0060
C5	1.4575	2.3911	3.7291	2.4321		1.5247	3.3434	4.4419	4.1002	4.1002	2.7247	2.7247	1.1019	1.1019	2.1664	2.1664
C6	2.3911	1.4575	2.4321	3.7291	1.5247		4.4419	3.3434	2.7247	2.7247	4.1002	4.1002	2.1664	2.1664	1.1019	1.1019
H7	2.0514	5.6761	6.8710	1.0933	3.3434	4.4419		7.7132	7.0435	7.0435	1.7916	1.7916	3.6880	3.6880	4.5706	4.5706
H8	5.6761	2.0514	1.0933	6.8710	4.4419	3.3434	7.7132		1.7916	1.7916	7.0435	7.0435	4.5706	4.5706	3.6880	3.6880
H9	5.0260	2.1194	1.1024	6.3653	4.1002	2.7247	7.0435	1.7916		1.7928	6.5523	6.7932	4.2621	4.6230	2.5391	3.1070
H10	5.0260	2.1194	1.1024	6.3653	4.1002	2.7247	7.0435	1.7916	1.7928		6.7932	6.5523	4.6230	4.2621	3.1070	2.5391
H11	2.1194	5.0260	6.3653	1.1024	2.7247	4.1002	1.7916	7.0435	6.5523	6.7932		1.7928	2.5391	3.1070	4.2621	4.6230
H12	2.1194	5.0260	6.3653	1.1024	2.7247	4.1002	1.7916	7.0435	6.7932	6.5523	1.7928		3.1070	2.5391	4.6230	4.2621
H13	2.1161	2.6357	4.0060	2.7122	1.1019	2.1664	3.6880	4.5706	4.2621	4.6230	2.5391	3.1070		1.7886	2.5083	3.0807
H14	2.1161	2.6357	4.0060	2.7122	1.1019	2.1664	3.6880	4.5706	4.6230	4.2621	3.1070	2.5391	1.7886		3.0807	2.5083
H15	2.6357	2.1161	2.7122	4.0060	2.1664	1.1019	4.5706	3.6880	2.5391	3.1070	4.2621	4.6230	2.5083	3.0807		1.7886
H16	2.6357	2.1161	2.7122	4.0060	2.1664	1.1019	4.5706	3.6880	3.1070	2.5391	4.6230	4.2621	3.0807	2.5083	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.523	O1	C4	H11	111.371
O1	C4	H12	111.371	O1	C5	C6	106.583
O1	C5	H13	110.778	O1	C5	H14	110.778
O2	C3	H8	106.523	O2	C3	H9	111.371
O2	C3	H10	111.371	O2	C6	C5	106.583
O2	C6	H15	110.778	O2	C6	H16	110.778
C3	O2	C6	113.400	C4	O1	C5	113.400
C5	C6	H15	110.100	C5	C6	H16	110.100
C6	C5	H13	110.100	C6	C5	H14	110.100
H7	C4	H11	109.361	H7	C4	H12	109.361
H8	C3	H9	109.361	H8	C3	H10	109.361
H9	C3	H10	108.808	H11	C4	H12	108.808
H13	C5	H14	108.501	H15	C6	H16	108.501

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

using model chemistry: B3LYP/LANL2DZ

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	-0.441
4	C	-0.441
5	C	-0.214
6	C	-0.214
7	H	0.222
8	H	0.222
9	H	0.191
10	H	0.191
11	H	0.191
12	H	0.191
13	H	0.189
14	H	0.189
15	H	0.189
16	H	0.189

	x	y	z
x	7.429	1.479	0.000
y	1.479	8.529	0.000
z	0.000	0.000	6.139

<r²>	279.854
(<r²>)^1/2	16.729

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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