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	hartrees
Energy at 0K	-305.879067
Energy at 298.15K	-305.890675
HF Energy	-305.277227
Nuclear repulsion energy	247.524551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3175	3030	0.00
2	A_g	3056	2917	0.00
3	A_g	3040	2902	0.00
4	A_g	1630	1556	0.00
5	A_g	1613	1540	0.00
6	A_g	1543	1473	0.00
7	A_g	1471	1404	0.00
8	A_g	1234	1177	0.00
9	A_g	1113	1063	0.00
10	A_g	1073	1024	0.00
11	A_g	950	907	0.00
12	A_g	381	364	0.00
13	A_g	322	308	0.00
14	A_u	3113	2972	94.88
15	A_u	3089	2948	118.67
16	A_u	1590	1518	10.03
17	A_u	1249	1192	8.69
18	A_u	1189	1135	1.27
19	A_u	897	857	0.07
20	A_u	245	234	10.72
21	A_u	117	112	12.06
22	A_u	66	63	4.74
23	B_g	3089	2948	0.00
24	B_g	3087	2946	0.00
25	B_g	1590	1518	0.00
26	B_g	1360	1298	0.00
27	B_g	1206	1151	0.00
28	B_g	1172	1119	0.00
29	B_g	233	222	0.00
30	B_g	125	119	0.00
31	B_u	3174	3030	54.02
32	B_u	3061	2922	59.52
33	B_u	3040	2901	76.86
34	B_u	1639	1564	2.21
35	B_u	1615	1542	18.06
36	B_u	1538	1468	14.21
37	B_u	1399	1335	32.51
38	B_u	1213	1158	40.48
39	B_u	1121	1070	194.17
40	B_u	893	852	30.50
41	B_u	486	464	7.55
42	B_u	134	128	6.79

Atom	x (Å)	y (Å)	z (Å)
O1	1.415	1.151	0.000
O2	-1.415	-1.151	0.000
C3	-1.566	-2.610	0.000
C4	1.566	2.610	0.000
C5	0.000	0.764	0.000
C6	0.000	-0.764	0.000
H7	2.641	2.801	0.000
H8	-2.641	-2.801	0.000
H9	-1.113	-3.065	0.892
H10	-1.113	-3.065	-0.892
H11	1.113	3.065	0.892
H12	1.113	3.065	-0.892
H13	-0.525	1.133	0.891
H14	-0.525	1.133	-0.891
H15	0.525	-1.133	0.891
H16	0.525	-1.133	-0.891

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6473	4.7988	1.4670	1.4668	2.3805	2.0557	5.6624	4.9956	4.9956	2.1333	2.1333	2.1348	2.1348	2.6079	2.6079
O2	3.6473		1.4670	4.7988	2.3805	1.4668	5.6624	2.0557	2.1333	2.1333	4.9956	4.9956	2.6079	2.6079	2.1348	2.1348
C3	4.7988	1.4670		6.0875	3.7195	2.4210	6.8538	1.0915	1.0990	1.0990	6.3385	6.3385	3.9859	3.9859	2.7107	2.7107
C4	1.4670	4.7988	6.0875		2.4210	3.7195	1.0915	6.8538	6.3385	6.3385	1.0990	1.0990	2.7107	2.7107	3.9859	3.9859
C5	1.4668	2.3805	3.7195	2.4210		1.5276	3.3352	4.4362	4.0857	4.0857	2.7072	2.7072	1.0981	1.0981	2.1605	2.1605
C6	2.3805	1.4668	2.4210	3.7195	1.5276		4.4362	3.3352	2.7072	2.7072	4.0857	4.0857	2.1605	2.1605	1.0981	1.0981
H7	2.0557	5.6624	6.8538	1.0915	3.3352	4.4362		7.6989	7.0208	7.0208	1.7889	1.7889	3.6875	3.6875	4.5547	4.5547
H8	5.6624	2.0557	1.0915	6.8538	4.4362	3.3352	7.6989		1.7889	1.7889	7.0208	7.0208	4.5547	4.5547	3.6875	3.6875
H9	4.9956	2.1333	1.0990	6.3385	4.0857	2.7072	7.0208	1.7889		1.7832	6.5216	6.7610	4.2391	4.5986	2.5327	3.0971
H10	4.9956	2.1333	1.0990	6.3385	4.0857	2.7072	7.0208	1.7889	1.7832		6.7610	6.5216	4.5986	4.2391	3.0971	2.5327
H11	2.1333	4.9956	6.3385	1.0990	2.7072	4.0857	1.7889	7.0208	6.5216	6.7610		1.7832	2.5327	3.0971	4.2391	4.5986
H12	2.1333	4.9956	6.3385	1.0990	2.7072	4.0857	1.7889	7.0208	6.7610	6.5216	1.7832		3.0971	2.5327	4.5986	4.2391
H13	2.1348	2.6079	3.9859	2.7107	1.0981	2.1605	3.6875	4.5547	4.2391	4.5986	2.5327	3.0971		1.7818	2.4978	3.0681
H14	2.1348	2.6079	3.9859	2.7107	1.0981	2.1605	3.6875	4.5547	4.5986	4.2391	3.0971	2.5327	1.7818		3.0681	2.4978
H15	2.6079	2.1348	2.7107	3.9859	2.1605	1.0981	4.5547	3.6875	2.5327	3.0971	4.2391	4.5986	2.4978	3.0681		1.7818
H16	2.6079	2.1348	2.7107	3.9859	2.1605	1.0981	4.5547	3.6875	3.0971	2.5327	4.5986	4.2391	3.0681	2.4978	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	105.993	O1	C4	H11	111.677
O1	C4	H12	111.677	O1	C5	C6	105.293
O1	C5	H13	111.872	O1	C5	H14	111.872
O2	C3	H8	105.993	O2	C3	H9	111.677
O2	C3	H10	111.677	O2	C6	C5	105.293
O2	C6	H15	111.872	O2	C6	H16	111.872
C3	O2	C6	111.217	C4	O1	C5	111.217
C5	C6	H15	109.655	C5	C6	H16	109.655
C6	C5	H13	109.655	C6	C5	H14	109.655
H7	C4	H11	109.503	H7	C4	H12	109.503
H8	C3	H9	109.503	H8	C3	H10	109.503
H9	C3	H10	108.445	H11	C4	H12	108.445
H13	C5	H14	108.448	H15	C6	H16	108.448

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

using model chemistry: MP2/3-21G

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	-0.507	-0.417
2	O	-0.507	-0.415
3	C	-0.268	0.018
4	C	-0.268	0.010
5	C	-0.109	0.157
6	C	-0.109	0.128
7	H	0.195	0.084
8	H	0.195	0.082
9	H	0.165	0.048
10	H	0.165	0.048
11	H	0.165	0.049
12	H	0.165	0.049
13	H	0.180	0.036
14	H	0.180	0.036
15	H	0.180	0.042
16	H	0.180	0.042

	x	y	z
x	7.162	1.420	0.000
y	1.420	8.181	0.000
z	0.000	0.000	6.006

<r²>	278.544
(<r²>)^1/2	16.690

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

using model chemistry: MP2/3-21G

States and conformations

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