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	hartrees
Energy at 0K	-308.495209
Energy at 298.15K	-308.506928
HF Energy	-308.495209
Nuclear repulsion energy	253.715460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3166	3008	0.00
2	A_g	3016	2866	0.00
3	A_g	3005	2855	0.00
4	A_g	1559	1481	0.00
5	A_g	1533	1457	0.00
6	A_g	1511	1436	0.00
7	A_g	1470	1397	0.00
8	A_g	1266	1203	0.00
9	A_g	1215	1155	0.00
10	A_g	1107	1052	0.00
11	A_g	1057	1005	0.00
12	A_g	405	385	0.00
13	A_g	337	320	0.00
14	A_u	3065	2912	1.03
15	A_u	3061	2908	244.04
16	A_u	1515	1440	13.15
17	A_u	1255	1193	12.66
18	A_u	1194	1135	2.25
19	A_u	845	803	0.29
20	A_u	253	240	8.49
21	A_u	108	103	7.71
22	A_u	72	69	3.44
23	B_g	3062	2910	0.00
24	B_g	3037	2886	0.00
25	B_g	1515	1440	0.00
26	B_g	1312	1247	0.00
27	B_g	1211	1151	0.00
28	B_g	1170	1112	0.00
29	B_g	238	226	0.00
30	B_g	131	124	0.00
31	B_u	3165	3008	60.44
32	B_u	3018	2868	134.31
33	B_u	3006	2856	80.05
34	B_u	1565	1488	2.57
35	B_u	1535	1458	25.45
36	B_u	1502	1427	4.57
37	B_u	1378	1310	32.33
38	B_u	1255	1192	270.55
39	B_u	1205	1145	116.98
40	B_u	1012	962	62.92
41	B_u	511	485	4.10
42	B_u	148	141	3.95

Atom	x (Å)	y (Å)	z (Å)
O1	0.429	1.733	0.000
O2	-0.429	-1.733	0.000
C3	0.270	-2.946	0.000
C4	-0.270	2.946	0.000
C5	-0.429	0.624	0.000
C6	0.429	-0.624	0.000
H7	0.471	3.750	0.000
H8	-0.471	-3.750	0.000
H9	0.908	-3.050	0.892
H10	0.908	-3.050	-0.892
H11	-0.908	3.050	0.892
H12	-0.908	3.050	-0.892
H13	-1.082	0.623	0.889
H14	-1.082	0.623	-0.889
H15	1.082	-0.623	0.889
H16	1.082	-0.623	-0.889

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5704	4.6818	1.4007	1.4029	2.3564	2.0174	5.5560	4.8889	4.8889	2.0788	2.0788	2.0753	2.0753	2.6012	2.6012
O2	3.5704		1.4007	4.6818	2.3564	1.4029	5.5560	2.0174	2.0788	2.0788	4.8889	4.8889	2.6012	2.6012	2.0753	2.0753
C3	4.6818	1.4007		5.9174	3.6378	2.3282	6.6991	1.0930	1.1020	1.1020	6.1759	6.1759	3.9191	3.9191	2.6167	2.6167
C4	1.4007	4.6818	5.9174		2.3282	3.6378	1.0930	6.6991	6.1759	6.1759	1.1020	1.1020	2.6167	2.6167	3.9191	3.9191
C5	1.4029	2.3564	3.6378	2.3282		1.5144	3.2532	4.3735	4.0102	4.0102	2.6293	2.6293	1.1027	1.1027	2.1516	2.1516
C6	2.3564	1.4029	2.3282	3.6378	1.5144		4.3735	3.2532	2.6293	2.6293	4.0102	4.0102	2.1516	2.1516	1.1027	1.1027
H7	2.0174	5.5560	6.6991	1.0930	3.2532	4.3735		7.5584	6.8720	6.8720	1.7856	1.7856	3.6025	3.6025	4.5039	4.5039
H8	5.5560	2.0174	1.0930	6.6991	4.3735	3.2532	7.5584		1.7856	1.7856	6.8720	6.8720	4.5039	4.5039	3.6025	3.6025
H9	4.8889	2.0788	1.1020	6.1759	4.0102	2.6293	6.8720	1.7856		1.7848	6.3649	6.6104	4.1779	4.5417	2.4332	3.0154
H10	4.8889	2.0788	1.1020	6.1759	4.0102	2.6293	6.8720	1.7856	1.7848		6.6104	6.3649	4.5417	4.1779	3.0154	2.4332
H11	2.0788	4.8889	6.1759	1.1020	2.6293	4.0102	1.7856	6.8720	6.3649	6.6104		1.7848	2.4332	3.0154	4.1779	4.5417
H12	2.0788	4.8889	6.1759	1.1020	2.6293	4.0102	1.7856	6.8720	6.6104	6.3649	1.7848		3.0154	2.4332	4.5417	4.1779
H13	2.0753	2.6012	3.9191	2.6167	1.1027	2.1516	3.6025	4.5039	4.1779	4.5417	2.4332	3.0154		1.7774	2.4977	3.0656
H14	2.0753	2.6012	3.9191	2.6167	1.1027	2.1516	3.6025	4.5039	4.5417	4.1779	3.0154	2.4332	1.7774		3.0656	2.4977
H15	2.6012	2.0753	2.6167	3.9191	2.1516	1.1027	4.5039	3.6025	2.4332	3.0154	4.1779	4.5417	2.4977	3.0656		1.7774
H16	2.6012	2.0753	2.6167	3.9191	2.1516	1.1027	4.5039	3.6025	3.0154	2.4332	4.5417	4.1779	3.0656	2.4977	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.351	O1	C4	H11	111.763
O1	C4	H12	111.763	O1	C5	C6	107.691
O1	C5	H13	111.275	O1	C5	H14	111.275
O2	C3	H8	107.351	O2	C3	H9	111.763
O2	C3	H10	111.763	O2	C6	C5	107.691
O2	C6	H15	111.275	O2	C6	H16	111.275
C3	O2	C6	112.285	C4	O1	C5	112.285
C5	C6	H15	109.599	C5	C6	H16	109.599
C6	C5	H13	109.599	C6	C5	H14	109.599
H7	C4	H11	108.875	H7	C4	H12	108.875
H8	C3	H9	108.875	H8	C3	H10	108.875
H9	C3	H10	108.146	H11	C4	H12	108.146
H13	C5	H14	107.397	H15	C6	H16	107.397

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

using model chemistry: PBE1PBE/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	-0.470
2	O	-0.470
3	C	-0.261
4	C	-0.261
5	C	-0.079
6	C	-0.079
7	H	0.185
8	H	0.185
9	H	0.154
10	H	0.154
11	H	0.154
12	H	0.154
13	H	0.158
14	H	0.158
15	H	0.158
16	H	0.158

	x	y	z
x	6.723	-0.124	0.000
y	-0.124	9.496	0.000
z	0.000	0.000	6.687

<r²>	267.098
(<r²>)^1/2	16.343

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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