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	hartrees
Energy at 0K	-60.445706
Energy at 298.15K	-60.457355
Nuclear repulsion energy	145.308044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	3019	0.00
2	A_g	3020	2891	0.00
3	A_g	3008	2879	0.00
4	A_g	1519	1454	0.00
5	A_g	1498	1434	0.00
6	A_g	1485	1422	0.00
7	A_g	1453	1391	0.00
8	A_g	1245	1192	0.00
9	A_g	1200	1149	0.00
10	A_g	1093	1046	0.00
11	A_g	1045	1000	0.00
12	A_g	394	377	0.00
13	A_g	332	317	0.00
14	A_u	3078	2947	75.65
15	A_u	3067	2935	220.94
16	A_u	1483	1420	15.00
17	A_u	1239	1186	10.58
18	A_u	1174	1124	0.87
19	A_u	818	783	0.01
20	A_u	254	243	8.96
21	A_u	106	101	11.74
22	A_u	76	73	3.14
23	B_g	3067	2936	0.00
24	B_g	3050	2919	0.00
25	B_g	1483	1420	0.00
26	B_g	1288	1232	0.00
27	B_g	1185	1135	0.00
28	B_g	1139	1090	0.00
29	B_g	239	228	0.00
30	B_g	135	129	0.00
31	B_u	3154	3019	86.73
32	B_u	3023	2894	156.59
33	B_u	3007	2879	137.78
34	B_u	1526	1461	3.83
35	B_u	1496	1432	25.80
36	B_u	1476	1413	2.82
37	B_u	1354	1296	28.13
38	B_u	1237	1184	287.11
39	B_u	1187	1136	88.54
40	B_u	1003	960	65.82
41	B_u	498	476	3.87
42	B_u	141	135	5.17

Atom	x (Å)	y (Å)	z (Å)
O1	0.434	1.749	0.000
O2	-0.434	-1.749	0.000
C3	0.285	-2.963	0.000
C4	-0.285	2.963	0.000
C5	-0.434	0.631	0.000
C6	0.434	-0.631	0.000
H7	0.447	3.784	0.000
H8	-0.447	-3.784	0.000
H9	0.928	-3.057	0.898
H10	0.928	-3.057	-0.898
H11	-0.928	3.057	0.898
H12	-0.928	3.057	-0.898
H13	-1.088	0.632	0.895
H14	-1.088	0.632	-0.895
H15	1.088	-0.632	0.895
H16	1.088	-0.632	-0.895

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6036	4.7138	1.4107	1.4149	2.3800	2.0352	5.6024	4.9137	4.9137	2.0913	2.0913	2.0892	2.0892	2.6265	2.6265
O2	3.6036		1.4107	4.7138	2.3800	1.4149	5.6024	2.0352	2.0913	2.0913	4.9137	4.9137	2.6265	2.6265	2.0892	2.0892
C3	4.7138	1.4107		5.9527	3.6651	2.3363	6.7486	1.0998	1.1091	1.1091	6.2058	6.2058	3.9508	3.9508	2.6227	2.6227
C4	1.4107	4.7138	5.9527		2.3363	3.6651	1.0998	6.7486	6.2058	6.2058	1.1091	1.1091	2.6227	2.6227	3.9508	3.9508
C5	1.4149	2.3800	3.6651	2.3363		1.5320	3.2734	4.4152	4.0328	4.0328	2.6333	2.6333	1.1088	1.1088	2.1712	2.1712
C6	2.3800	1.4149	2.3363	3.6651	1.5320		4.4152	3.2734	2.6333	2.6333	4.0328	4.0328	2.1712	2.1712	1.1088	1.1088
H7	2.0352	5.6024	6.7486	1.0998	3.2734	4.4152		7.6205	6.9162	6.9162	1.7964	1.7964	3.6182	3.6182	4.5513	4.5513
H8	5.6024	2.0352	1.0998	6.7486	4.4152	3.2734	7.6205		1.7964	1.7964	6.9162	6.9162	4.5513	4.5513	3.6182	3.6182
H9	4.9137	2.0913	1.1091	6.2058	4.0328	2.6333	6.9162	1.7964		1.7967	6.3892	6.6370	4.2041	4.5707	2.4298	3.0201
H10	4.9137	2.0913	1.1091	6.2058	4.0328	2.6333	6.9162	1.7964	1.7967		6.6370	6.3892	4.5707	4.2041	3.0201	2.4298
H11	2.0913	4.9137	6.2058	1.1091	2.6333	4.0328	1.7964	6.9162	6.3892	6.6370		1.7967	2.4298	3.0201	4.2041	4.5707
H12	2.0913	4.9137	6.2058	1.1091	2.6333	4.0328	1.7964	6.9162	6.6370	6.3892	1.7967		3.0201	2.4298	4.5707	4.2041
H13	2.0892	2.6265	3.9508	2.6227	1.1088	2.1712	3.6182	4.5513	4.2041	4.5707	2.4298	3.0201		1.7904	2.5169	3.0888
H14	2.0892	2.6265	3.9508	2.6227	1.1088	2.1712	3.6182	4.5513	4.5707	4.2041	3.0201	2.4298	1.7904		3.0888	2.5169
H15	2.6265	2.0892	2.6227	3.9508	2.1712	1.1088	4.5513	3.6182	2.4298	3.0201	4.2041	4.5707	2.5169	3.0888		1.7904
H16	2.6265	2.0892	2.6227	3.9508	2.1712	1.1088	4.5513	3.6182	3.0201	2.4298	4.5707	4.2041	3.0888	2.5169	1.7904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.683	O1	C4	H11	111.627
O1	C4	H12	111.627	O1	C5	C6	107.665
O1	C5	H13	111.175	O1	C5	H14	111.175
O2	C3	H8	107.683	O2	C3	H9	111.627
O2	C3	H10	111.627	O2	C6	C5	107.665
O2	C6	H15	111.175	O2	C6	H16	111.175
C3	O2	C6	111.548	C4	O1	C5	111.548
C5	C6	H15	109.569	C5	C6	H16	109.569
C6	C5	H13	109.569	C6	C5	H14	109.569
H7	C4	H11	108.829	H7	C4	H12	108.829
H8	C3	H9	108.829	H8	C3	H10	108.829
H9	C3	H10	108.180	H11	C4	H12	108.180
H13	C5	H14	107.679	H15	C6	H16	107.679

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

using model chemistry: B1B95/CEP-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	-0.185
2	O	-0.185
3	C	-0.375
4	C	-0.375
5	C	-0.184
6	C	-0.184
7	H	0.215
8	H	0.215
9	H	0.139
10	H	0.139
11	H	0.139
12	H	0.139
13	H	0.125
14	H	0.125
15	H	0.125
16	H	0.125

	x	y	z
x	6.310	-0.162	0.000
y	-0.162	9.173	0.000
z	0.000	0.000	6.231

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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