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	hartrees
Energy at 0K	-308.855957
Energy at 298.15K	-308.867617
Nuclear repulsion energy	252.234484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3134	3003	0.00
2	A_g	2993	2867	0.00
3	A_g	2980	2854	0.00
4	A_g	1559	1494	0.00
5	A_g	1534	1470	0.00
6	A_g	1509	1446	0.00
7	A_g	1466	1404	0.00
8	A_g	1252	1200	0.00
9	A_g	1177	1127	0.00
10	A_g	1088	1043	0.00
11	A_g	1026	983	0.00
12	A_g	398	381	0.00
13	A_g	334	320	0.00
14	A_u	3033	2905	34.73
15	A_u	3030	2903	234.76
16	A_u	1515	1451	9.70
17	A_u	1250	1198	12.63
18	A_u	1190	1140	2.61
19	A_u	847	811	0.46
20	A_u	248	237	8.34
21	A_u	107	103	7.11
22	A_u	71	68	3.78
23	B_g	3030	2903	0.00
24	B_g	3006	2880	0.00
25	B_g	1515	1451	0.00
26	B_g	1309	1254	0.00
27	B_g	1208	1157	0.00
28	B_g	1168	1118	0.00
29	B_g	233	224	0.00
30	B_g	127	122	0.00
31	B_u	3134	3002	69.34
32	B_u	2994	2868	150.98
33	B_u	2981	2856	75.74
34	B_u	1567	1501	1.83
35	B_u	1535	1471	22.90
36	B_u	1503	1440	7.87
37	B_u	1381	1323	39.04
38	B_u	1233	1181	135.86
39	B_u	1178	1128	260.30
40	B_u	975	934	61.51
41	B_u	508	487	4.10
42	B_u	148	142	3.76

Atom	x (Å)	y (Å)	z (Å)
O1	0.432	1.744	0.000
O2	-0.432	-1.744	0.000
C3	0.263	-2.971	0.000
C4	-0.263	2.971	0.000
C5	-0.432	0.626	0.000
C6	0.432	-0.626	0.000
H7	0.486	3.768	0.000
H8	-0.486	-3.768	0.000
H9	0.900	-3.079	0.893
H10	0.900	-3.079	-0.893
H11	-0.900	3.079	0.893
H12	-0.900	3.079	-0.893
H13	-1.085	0.627	0.889
H14	-1.085	0.627	-0.889
H15	1.085	-0.627	0.889
H16	1.085	-0.627	-0.889

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5932	4.7181	1.4107	1.4132	2.3699	2.0247	5.5876	4.9272	4.9272	2.0872	2.0872	2.0831	2.0831	2.6147	2.6147
O2	3.5932		1.4107	4.7181	2.3699	1.4132	5.5876	2.0247	2.0872	2.0872	4.9272	4.9272	2.6147	2.6147	2.0831	2.0831
C3	4.7181	1.4107		5.9657	3.6639	2.3512	6.7427	1.0934	1.1024	1.1024	6.2255	6.2255	3.9438	3.9438	2.6384	2.6384
C4	1.4107	4.7181	5.9657		2.3512	3.6639	1.0934	6.7427	6.2255	6.2255	1.1024	1.1024	2.6384	2.6384	3.9438	3.9438
C5	1.4132	2.3699	3.6639	2.3512		1.5218	3.2732	4.3942	4.0376	4.0376	2.6521	2.6521	1.1027	1.1027	2.1592	2.1592
C6	2.3699	1.4132	2.3512	3.6639	1.5218		4.3942	3.2732	2.6521	2.6521	4.0376	4.0376	2.1592	2.1592	1.1027	1.1027
H7	2.0247	5.5876	6.7427	1.0934	3.2732	4.3942		7.5980	6.9173	6.9173	1.7870	1.7870	3.6225	3.6225	4.5236	4.5236
H8	5.5876	2.0247	1.0934	6.7427	4.3942	3.2732	7.5980		1.7870	1.7870	6.9173	6.9173	4.5236	4.5236	3.6225	3.6225
H9	4.9272	2.0872	1.1024	6.2255	4.0376	2.6521	6.9173	1.7870		1.7859	6.4161	6.6600	4.2042	4.5663	2.4590	3.0368
H10	4.9272	2.0872	1.1024	6.2255	4.0376	2.6521	6.9173	1.7870	1.7859		6.6600	6.4161	4.5663	4.2042	3.0368	2.4590
H11	2.0872	4.9272	6.2255	1.1024	2.6521	4.0376	1.7870	6.9173	6.4161	6.6600		1.7859	2.4590	3.0368	4.2042	4.5663
H12	2.0872	4.9272	6.2255	1.1024	2.6521	4.0376	1.7870	6.9173	6.6600	6.4161	1.7859		3.0368	2.4590	4.5663	4.2042
H13	2.0831	2.6147	3.9438	2.6384	1.1027	2.1592	3.6225	4.5236	4.2042	4.5663	2.4590	3.0368		1.7782	2.5058	3.0726
H14	2.0831	2.6147	3.9438	2.6384	1.1027	2.1592	3.6225	4.5236	4.5663	4.2042	3.0368	2.4590	1.7782		3.0726	2.5058
H15	2.6147	2.0831	2.6384	3.9438	2.1592	1.1027	4.5236	3.6225	2.4590	3.0368	4.2042	4.5663	2.5058	3.0726		1.7782
H16	2.6147	2.0831	2.6384	3.9438	2.1592	1.1027	4.5236	3.6225	3.0368	2.4590	4.5663	4.2042	3.0726	2.5058	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.233	O1	C4	H11	111.724
O1	C4	H12	111.724	O1	C5	C6	107.643
O1	C5	H13	111.181	O1	C5	H14	111.181
O2	C3	H8	107.233	O2	C3	H9	111.724
O2	C3	H10	111.724	O2	C6	C5	107.643
O2	C6	H15	111.181	O2	C6	H16	111.181
C3	O2	C6	112.741	C4	O1	C5	112.741
C5	C6	H15	109.685	C5	C6	H16	109.685
C6	C5	H13	109.685	C6	C5	H14	109.685
H7	C4	H11	108.950	H7	C4	H12	108.950
H8	C3	H9	108.950	H8	C3	H10	108.950
H9	C3	H10	108.198	H11	C4	H12	108.198
H13	C5	H14	107.466	H15	C6	H16	107.466

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

using model chemistry: B3LYPultrafine/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	-0.467
2	O	-0.467
3	C	-0.189
4	C	-0.189
5	C	-0.024
6	C	-0.024
7	H	0.158
8	H	0.158
9	H	0.131
10	H	0.131
11	H	0.131
12	H	0.131
13	H	0.130
14	H	0.130
15	H	0.130
16	H	0.130

	x	y	z
x	6.746	-0.122	0.000
y	-0.122	9.695	0.000
z	0.000	0.000	6.684

<r²>	270.639
(<r²>)^1/2	16.451

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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