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	hartrees
Energy at 0K	-308.539051
Energy at 298.15K	-308.550604
Nuclear repulsion energy	251.711430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3057	3025	0.00
2	A_g	2902	2872	0.00
3	A_g	2889	2859	0.00
4	A_g	1494	1478	0.00
5	A_g	1471	1455	0.00
6	A_g	1445	1430	0.00
7	A_g	1407	1392	0.00
8	A_g	1207	1195	0.00
9	A_g	1133	1121	0.00
10	A_g	1062	1051	0.00
11	A_g	994	983	0.00
12	A_g	389	385	0.00
13	A_g	325	322	0.00
14	A_u	2943	2913	18.90
15	A_u	2937	2907	283.52
16	A_u	1449	1434	17.04
17	A_u	1205	1193	10.87
18	A_u	1146	1134	2.52
19	A_u	821	812	0.42
20	A_u	248	245	7.31
21	A_u	98	97	7.81
22	A_u	68	68	2.43
23	B_g	2939	2908	0.00
24	B_g	2913	2883	0.00
25	B_g	1449	1434	0.00
26	B_g	1264	1251	0.00
27	B_g	1162	1150	0.00
28	B_g	1123	1111	0.00
29	B_g	234	232	0.00
30	B_g	128	127	0.00
31	B_u	3056	3025	67.79
32	B_u	2904	2874	176.28
33	B_u	2890	2860	96.05
34	B_u	1501	1485	2.37
35	B_u	1473	1458	29.12
36	B_u	1439	1424	1.55
37	B_u	1327	1313	17.88
38	B_u	1185	1172	85.89
39	B_u	1134	1122	282.56
40	B_u	946	936	63.82
41	B_u	495	490	3.17
42	B_u	143	142	3.57

Atom	x (Å)	y (Å)	z (Å)
O1	0.433	1.748	0.000
O2	-0.433	-1.748	0.000
C3	0.285	-2.968	0.000
C4	-0.285	2.968	0.000
C5	-0.433	0.625	0.000
C6	0.433	-0.625	0.000
H7	0.456	3.778	0.000
H8	-0.456	-3.778	0.000
H9	0.927	-3.066	0.898
H10	0.927	-3.066	-0.898
H11	-0.927	3.066	0.898
H12	-0.927	3.066	-0.898
H13	-1.089	0.625	0.895
H14	-1.089	0.625	-0.895
H15	1.089	-0.625	0.895
H16	1.089	-0.625	-0.895

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6012	4.7177	1.4154	1.4181	2.3725	2.0305	5.5971	4.9218	4.9218	2.0965	2.0965	2.0928	2.0928	2.6192	2.6192
O2	3.6012		1.4154	4.7177	2.3725	1.4181	5.5971	2.0305	2.0965	2.0965	4.9218	4.9218	2.6192	2.6192	2.0928	2.0928
C3	4.7177	1.4154		5.9625	3.6633	2.3476	6.7480	1.0984	1.1088	1.1088	6.2195	6.2195	3.9489	3.9489	2.6339	2.6339
C4	1.4154	4.7177	5.9625		2.3476	3.6633	1.0984	6.7480	6.2195	6.2195	1.1088	1.1088	2.6339	2.6339	3.9489	3.9489
C5	1.4181	2.3725	3.6633	2.3476		1.5201	3.2765	4.4029	4.0347	4.0347	2.6480	2.6480	1.1099	1.1099	2.1631	2.1631
C6	2.3725	1.4181	2.3476	3.6633	1.5201		4.4029	3.2765	2.6480	2.6480	4.0347	4.0347	2.1631	2.1631	1.1099	1.1099
H7	2.0305	5.5971	6.7480	1.0984	3.2765	4.4029		7.6113	6.9190	6.9190	1.7968	1.7968	3.6242	3.6242	4.5372	4.5372
H8	5.5971	2.0305	1.0984	6.7480	4.4029	3.2765	7.6113		1.7968	1.7968	6.9190	6.9190	4.5372	4.5372	3.6242	3.6242
H9	4.9218	2.0965	1.1088	6.2195	4.0347	2.6480	6.9190	1.7968		1.7968	6.4064	6.6536	4.2056	4.5721	2.4468	3.0337
H10	4.9218	2.0965	1.1088	6.2195	4.0347	2.6480	6.9190	1.7968	1.7968		6.6536	6.4064	4.5721	4.2056	3.0337	2.4468
H11	2.0965	4.9218	6.2195	1.1088	2.6480	4.0347	1.7968	6.9190	6.4064	6.6536		1.7968	2.4468	3.0337	4.2056	4.5721
H12	2.0965	4.9218	6.2195	1.1088	2.6480	4.0347	1.7968	6.9190	6.6536	6.4064	1.7968		3.0337	2.4468	4.5721	4.2056
H13	2.0928	2.6192	3.9489	2.6339	1.1099	2.1631	3.6242	4.5372	4.2056	4.5721	2.4468	3.0337		1.7903	2.5111	3.0840
H14	2.0928	2.6192	3.9489	2.6339	1.1099	2.1631	3.6242	4.5372	4.5721	4.2056	3.0337	2.4468	1.7903		3.0840	2.5111
H15	2.6192	2.0928	2.6339	3.9489	2.1631	1.1099	4.5372	3.6242	2.4468	3.0337	4.2056	4.5721	2.5111	3.0840		1.7903
H16	2.6192	2.0928	2.6339	3.9489	2.1631	1.1099	4.5372	3.6242	3.0337	2.4468	4.5721	4.2056	3.0840	2.5111	1.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.080	O1	C4	H11	111.738
O1	C4	H12	111.738	O1	C5	C6	107.645
O1	C5	H13	111.164	O1	C5	H14	111.164
O2	C3	H8	107.080	O2	C3	H9	111.738
O2	C3	H10	111.738	O2	C6	C5	107.645
O2	C6	H15	111.164	O2	C6	H16	111.164
C3	O2	C6	111.891	C4	O1	C5	111.891
C5	C6	H15	109.679	C5	C6	H16	109.679
C6	C5	H13	109.679	C6	C5	H14	109.679
H7	C4	H11	108.990	H7	C4	H12	108.990
H8	C3	H9	108.990	H8	C3	H10	108.990
H9	C3	H10	108.243	H11	C4	H12	108.243
H13	C5	H14	107.508	H15	C6	H16	107.508

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

using model chemistry: PBEPBE/6-311G*

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	-0.297
2	O	-0.297
3	C	-0.455
4	C	-0.455
5	C	-0.244
6	C	-0.244
7	H	0.219
8	H	0.219
9	H	0.194
10	H	0.194
11	H	0.194
12	H	0.194
13	H	0.194
14	H	0.194
15	H	0.194
16	H	0.194

	x	y	z
x	7.600	-0.313	0.000
y	-0.313	10.781	0.000
z	0.000	0.000	7.401

<r²>	271.320
(<r²>)^1/2	16.472

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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