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	hartrees
Energy at 0K	-308.676217
Energy at 298.15K	-308.687787
Nuclear repulsion energy	249.973787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3196	3026	0.00
2	A_g	3043	2880	0.00
3	A_g	3030	2868	0.00
4	A_g	1574	1490	0.00
5	A_g	1551	1468	0.00
6	A_g	1514	1433	0.00
7	A_g	1464	1385	0.00
8	A_g	1237	1171	0.00
9	A_g	1160	1098	0.00
10	A_g	1101	1042	0.00
11	A_g	988	936	0.00
12	A_g	393	372	0.00
13	A_g	323	305	0.00
14	A_u	3109	2943	90.54
15	A_u	3098	2932	144.96
16	A_u	1536	1454	19.89
17	A_u	1240	1173	12.12
18	A_u	1177	1114	1.06
19	A_u	866	819	0.01
20	A_u	231	219	12.44
21	A_u	106	100	13.86
22	A_u	68	65	5.93
23	B_g	3098	2932	0.00
24	B_g	3080	2916	0.00
25	B_g	1536	1454	0.00
26	B_g	1326	1255	0.00
27	B_g	1194	1130	0.00
28	B_g	1158	1096	0.00
29	B_g	218	206	0.00
30	B_g	122	115	0.00
31	B_u	3196	3026	48.29
32	B_u	3047	2884	88.22
33	B_u	3029	2868	101.07
34	B_u	1582	1497	4.35
35	B_u	1552	1470	25.08
36	B_u	1509	1428	1.25
37	B_u	1392	1317	13.86
38	B_u	1217	1152	67.84
39	B_u	1149	1087	236.39
40	B_u	927	878	44.92
41	B_u	495	469	6.23
42	B_u	143	136	6.82

Atom	x (Å)	y (Å)	z (Å)
O1	0.441	1.753	0.000
O2	-0.441	-1.753	0.000
C3	0.249	-3.014	0.000
C4	-0.249	3.014	0.000
C5	-0.441	0.614	0.000
C6	0.441	-0.614	0.000
H7	0.521	3.784	0.000
H8	-0.521	-3.784	0.000
H9	0.878	-3.126	0.893
H10	0.878	-3.126	-0.893
H11	-0.878	3.126	0.893
H12	-0.878	3.126	-0.893
H13	-1.085	0.615	0.889
H14	-1.085	0.615	-0.889
H15	1.085	-0.615	0.889
H16	1.085	-0.615	-0.889

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6145	4.7703	1.4373	1.4399	2.3669	2.0331	5.6197	4.9792	4.9792	2.1028	2.1028	2.1005	2.1005	2.6099	2.6099
O2	3.6145		1.4373	4.7703	2.3669	1.4399	5.6197	2.0331	2.1028	2.1028	4.9792	4.9792	2.6099	2.6099	2.1005	2.1005
C3	4.7703	1.4373		6.0481	3.6929	2.4073	6.8034	1.0889	1.0977	1.0977	6.3061	6.3061	3.9671	3.9671	2.6913	2.6913
C4	1.4373	4.7703	6.0481		2.4073	3.6929	1.0889	6.8034	6.3061	6.3061	1.0977	1.0977	2.6913	2.6913	3.9671	3.9671
C5	1.4399	2.3669	3.6929	2.4073		1.5120	3.3126	4.3991	4.0653	4.0653	2.7015	2.7015	1.0979	1.0979	2.1515	2.1515
C6	2.3669	1.4399	2.4073	3.6929	1.5120		4.3991	3.3126	2.7015	2.7015	4.0653	4.0653	2.1515	2.1515	1.0979	1.0979
H7	2.0331	5.6197	6.8034	1.0889	3.3126	4.3991		7.6397	6.9770	6.9770	1.7847	1.7847	3.6622	3.6622	4.5235	4.5235
H8	5.6197	2.0331	1.0889	6.8034	4.3991	3.3126	7.6397		1.7847	1.7847	6.9770	6.9770	4.5235	4.5235	3.6622	3.6622
H9	4.9792	2.1028	1.0977	6.3061	4.0653	2.7015	6.9770	1.7847		1.7853	6.4943	6.7352	4.2248	4.5852	2.5198	3.0861
H10	4.9792	2.1028	1.0977	6.3061	4.0653	2.7015	6.9770	1.7847	1.7853		6.7352	6.4943	4.5852	4.2248	3.0861	2.5198
H11	2.1028	4.9792	6.3061	1.0977	2.7015	4.0653	1.7847	6.9770	6.4943	6.7352		1.7853	2.5198	3.0861	4.2248	4.5852
H12	2.1028	4.9792	6.3061	1.0977	2.7015	4.0653	1.7847	6.9770	6.7352	6.4943	1.7853		3.0861	2.5198	4.5852	4.2248
H13	2.1005	2.6099	3.9671	2.6913	1.0979	2.1515	3.6622	4.5235	4.2248	4.5852	2.5198	3.0861		1.7783	2.4940	3.0631
H14	2.1005	2.6099	3.9671	2.6913	1.0979	2.1515	3.6622	4.5235	4.5852	4.2248	3.0861	2.5198	1.7783		3.0631	2.4940
H15	2.6099	2.1005	2.6913	3.9671	2.1515	1.0979	4.5235	3.6622	2.5198	3.0861	4.2248	4.5852	2.4940	3.0631		1.7783
H16	2.6099	2.1005	2.6913	3.9671	2.1515	1.0979	4.5235	3.6622	3.0861	2.5198	4.5852	4.2248	3.0631	2.4940	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	106.358	O1	C4	H11	111.394
O1	C4	H12	111.394	O1	C5	C6	106.585
O1	C5	H13	111.008	O1	C5	H14	111.008
O2	C3	H8	106.358	O2	C3	H9	111.394
O2	C3	H10	111.394	O2	C6	C5	106.585
O2	C6	H15	111.008	O2	C6	H16	111.008
C3	O2	C6	113.578	C4	O1	C5	113.578
C5	C6	H15	110.038	C5	C6	H16	110.038
C6	C5	H13	110.038	C6	C5	H14	110.038
H7	C4	H11	109.413	H7	C4	H12	109.413
H8	C3	H9	109.413	H8	C3	H10	109.413
H9	C3	H10	108.820	H11	C4	H12	108.820
H13	C5	H14	108.169	H15	C6	H16	108.169

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

using model chemistry: mPW1PW91/6-31G

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	-0.551
2	O	-0.551
3	C	-0.220
4	C	-0.220
5	C	-0.058
6	C	-0.058
7	H	0.187
8	H	0.187
9	H	0.155
10	H	0.155
11	H	0.155
12	H	0.155
13	H	0.167
14	H	0.167
15	H	0.167
16	H	0.167

	x	y	z
x	6.607	-0.082	0.000
y	-0.082	9.604	0.000
z	0.000	0.000	6.431

<r²>	275.039
(<r²>)^1/2	16.584

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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