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	hartrees
Energy at 0K	-308.490492
Energy at 298.15K	-308.502025
Nuclear repulsion energy	251.876378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3052	3020	0.00
2	A_g	2896	2866	0.00
3	A_g	2882	2852	0.00
4	A_g	1480	1465	0.00
5	A_g	1453	1438	0.00
6	A_g	1431	1416	0.00
7	A_g	1389	1375	0.00
8	A_g	1201	1189	0.00
9	A_g	1142	1130	0.00
10	A_g	1054	1043	0.00
11	A_g	1000	990	0.00
12	A_g	389	385	0.00
13	A_g	325	322	0.00
14	A_u	2940	2909	15.04
15	A_u	2933	2902	218.06
16	A_u	1431	1416	11.00
17	A_u	1190	1178	12.08
18	A_u	1140	1129	1.52
19	A_u	808	800	0.08
20	A_u	246	244	5.06
21	A_u	95	94	6.52
22	A_u	69	68	1.80
23	B_g	2938	2907	0.00
24	B_g	2907	2877	0.00
25	B_g	1431	1416	0.00
26	B_g	1243	1230	0.00
27	B_g	1159	1147	0.00
28	B_g	1117	1106	0.00
29	B_g	236	234	0.00
30	B_g	128	126	0.00
31	B_u	3051	3020	54.01
32	B_u	2898	2868	146.21
33	B_u	2885	2855	79.03
34	B_u	1486	1471	1.67
35	B_u	1456	1441	22.22
36	B_u	1426	1411	3.06
37	B_u	1312	1299	27.91
38	B_u	1179	1167	147.92
39	B_u	1144	1132	212.10
40	B_u	955	945	51.76
41	B_u	491	486	2.98
42	B_u	141	139	2.85

Atom	x (Å)	y (Å)	z (Å)
O1	0.433	1.746	0.000
O2	-0.433	-1.746	0.000
C3	0.282	-2.963	0.000
C4	-0.282	2.963	0.000
C5	-0.433	0.628	0.000
C6	0.433	-0.628	0.000
H7	0.457	3.779	0.000
H8	-0.457	-3.779	0.000
H9	0.929	-3.065	0.898
H10	0.929	-3.065	-0.898
H11	-0.929	3.065	0.898
H12	-0.929	3.065	-0.898
H13	-1.093	0.626	0.895
H14	-1.093	0.626	-0.895
H15	1.093	-0.626	0.895
H16	1.093	-0.626	-0.895

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5969	4.7110	1.4119	1.4140	2.3732	2.0336	5.5958	4.9184	4.9184	2.0976	2.0976	2.0935	2.0935	2.6197	2.6197
O2	3.5969		1.4119	4.7110	2.3732	1.4140	5.5958	2.0336	2.0976	2.0976	4.9184	4.9184	2.6197	2.6197	2.0935	2.0935
C3	4.7110	1.4119		5.9529	3.6611	2.3403	6.7443	1.1010	1.1111	1.1111	6.2134	6.2134	3.9468	3.9468	2.6303	2.6303
C4	1.4119	4.7110	5.9529		2.3403	3.6611	1.1010	6.7443	6.2134	6.2134	1.1111	1.1111	2.6303	2.6303	3.9468	3.9468
C5	1.4140	2.3732	3.6611	2.3403		1.5248	3.2746	4.4067	4.0365	4.0365	2.6441	2.6441	1.1121	1.1121	2.1685	2.1685
C6	2.3732	1.4140	2.3403	3.6611	1.5248		4.4067	3.2746	2.6441	2.6441	4.0365	4.0365	2.1685	2.1685	1.1121	1.1121
H7	2.0336	5.5958	6.7443	1.1010	3.2746	4.4067		7.6131	6.9184	6.9184	1.7991	1.7991	3.6254	3.6254	4.5401	4.5401
H8	5.5958	2.0336	1.1010	6.7443	4.4067	3.2746	7.6131		1.7991	1.7991	6.9184	6.9184	4.5401	4.5401	3.6254	3.6254
H9	4.9184	2.0976	1.1111	6.2134	4.0365	2.6441	6.9184	1.7991		1.7958	6.4046	6.6516	4.2087	4.5745	2.4439	3.0308
H10	4.9184	2.0976	1.1111	6.2134	4.0365	2.6441	6.9184	1.7991	1.7958		6.6516	6.4046	4.5745	4.2087	3.0308	2.4439
H11	2.0976	4.9184	6.2134	1.1111	2.6441	4.0365	1.7991	6.9184	6.4046	6.6516		1.7958	2.4439	3.0308	4.2087	4.5745
H12	2.0976	4.9184	6.2134	1.1111	2.6441	4.0365	1.7991	6.9184	6.6516	6.4046	1.7958		3.0308	2.4439	4.5745	4.2087
H13	2.0935	2.6197	3.9468	2.6303	1.1121	2.1685	3.6254	4.5401	4.2087	4.5745	2.4439	3.0308		1.7893	2.5204	3.0909
H14	2.0935	2.6197	3.9468	2.6303	1.1121	2.1685	3.6254	4.5401	4.5745	4.2087	3.0308	2.4439	1.7893		3.0909	2.5204
H15	2.6197	2.0935	2.6303	3.9468	2.1685	1.1121	4.5401	3.6254	2.4439	3.0308	4.2087	4.5745	2.5204	3.0909		1.7893
H16	2.6197	2.0935	2.6303	3.9468	2.1685	1.1121	4.5401	3.6254	3.0308	2.4439	4.5745	4.2087	3.0909	2.5204	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.400	O1	C4	H11	111.935
O1	C4	H12	111.935	O1	C5	C6	107.654
O1	C5	H13	111.380	O1	C5	H14	111.380
O2	C3	H8	107.400	O2	C3	H9	111.935
O2	C3	H10	111.935	O2	C6	C5	107.654
O2	C6	H15	111.380	O2	C6	H16	111.380
C3	O2	C6	111.823	C4	O1	C5	111.823
C5	C6	H15	109.655	C5	C6	H16	109.655
C6	C5	H13	109.655	C6	C5	H14	109.655
H7	C4	H11	108.837	H7	C4	H12	108.837
H8	C3	H9	108.837	H8	C3	H10	108.837
H9	C3	H10	107.824	H11	C4	H12	107.824
H13	C5	H14	107.113	H15	C6	H16	107.113

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.197
2	O	-0.197
3	C	-0.269
4	C	-0.269
5	C	-0.105
6	C	-0.105
7	H	0.136
8	H	0.136
9	H	0.113
10	H	0.113
11	H	0.113
12	H	0.113
13	H	0.104
14	H	0.104
15	H	0.104
16	H	0.104

	x	y	z
x	7.310	-0.245	0.000
y	-0.245	10.818	0.000
z	0.000	0.000	7.220

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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