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	hartrees
Energy at 0K	-308.859392
Energy at 298.15K	-308.871062
Nuclear repulsion energy	253.747355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3009	0.00
2	A_g	2999	2869	0.00
3	A_g	2988	2859	0.00
4	A_g	1533	1467	0.00
5	A_g	1509	1443	0.00
6	A_g	1490	1426	0.00
7	A_g	1455	1392	0.00
8	A_g	1254	1199	0.00
9	A_g	1198	1146	0.00
10	A_g	1099	1052	0.00
11	A_g	1042	997	0.00
12	A_g	402	385	0.00
13	A_g	330	316	0.00
14	A_u	3048	2916	35.07
15	A_u	3042	2910	216.65
16	A_u	1487	1423	16.33
17	A_u	1244	1190	12.95
18	A_u	1182	1130	2.99
19	A_u	844	808	0.37
20	A_u	241	230	8.51
21	A_u	101	97	7.98
22	A_u	69	66	3.56
23	B_g	3043	2911	0.00
24	B_g	3019	2889	0.00
25	B_g	1487	1423	0.00
26	B_g	1301	1244	0.00
27	B_g	1198	1146	0.00
28	B_g	1158	1108	0.00
29	B_g	225	216	0.00
30	B_g	126	120	0.00
31	B_u	3145	3009	61.43
32	B_u	3002	2872	141.51
33	B_u	2989	2860	90.19
34	B_u	1540	1473	4.33
35	B_u	1508	1443	26.66
36	B_u	1481	1417	1.53
37	B_u	1370	1311	21.21
38	B_u	1237	1183	219.17
39	B_u	1190	1138	181.05
40	B_u	995	952	66.83
41	B_u	504	482	3.66
42	B_u	146	140	4.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.429	1.733	0.000
O2	-0.429	-1.733	0.000
C3	0.267	-2.950	0.000
C4	-0.267	2.950	0.000
C5	-0.429	0.622	0.000
C6	0.429	-0.622	0.000
H7	0.473	3.750	0.000
H8	-0.473	-3.750	0.000
H9	0.902	-3.054	0.891
H10	0.902	-3.054	-0.891
H11	-0.902	3.054	0.891
H12	-0.902	3.054	-0.891
H13	-1.078	0.621	0.888
H14	-1.078	0.621	-0.888
H15	1.078	-0.621	0.888
H16	1.078	-0.621	-0.888

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5711	4.6864	1.4021	1.4038	2.3553	2.0170	5.5568	4.8924	4.8924	2.0759	2.0759	2.0723	2.0723	2.5987	2.5987
O2	3.5711		1.4021	4.6864	2.3553	1.4038	5.5568	2.0170	2.0759	2.0759	4.8924	4.8924	2.5987	2.5987	2.0723	2.0723
C3	4.6864	1.4021		5.9249	3.6396	2.3339	6.7034	1.0895	1.0989	1.0989	6.1817	6.1817	3.9185	3.9185	2.6209	2.6209
C4	1.4021	4.6864	5.9249		2.3339	3.6396	1.0895	6.7034	6.1817	6.1817	1.0989	1.0989	2.6209	2.6209	3.9185	3.9185
C5	1.4038	2.3553	3.6396	2.3339		1.5113	3.2552	4.3721	4.0098	4.0098	2.6329	2.6329	1.0995	1.0995	2.1458	2.1458
C6	2.3553	1.4038	2.3339	3.6396	1.5113		4.3721	3.2552	2.6329	2.6329	4.0098	4.0098	2.1458	2.1458	1.0995	1.0995
H7	2.0170	5.5568	6.7034	1.0895	3.2552	4.3721		7.5591	6.8753	6.8753	1.7801	1.7801	3.6028	3.6028	4.5012	4.5012
H8	5.5568	2.0170	1.0895	6.7034	4.3721	3.2552	7.5591		1.7801	1.7801	6.8753	6.8753	4.5012	4.5012	3.6028	3.6028
H9	4.8924	2.0759	1.0989	6.1817	4.0098	2.6329	6.8753	1.7801		1.7819	6.3689	6.6134	4.1747	4.5378	2.4390	3.0186
H10	4.8924	2.0759	1.0989	6.1817	4.0098	2.6329	6.8753	1.7801	1.7819		6.6134	6.3689	4.5378	4.1747	3.0186	2.4390
H11	2.0759	4.8924	6.1817	1.0989	2.6329	4.0098	1.7801	6.8753	6.3689	6.6134		1.7819	2.4390	3.0186	4.1747	4.5378
H12	2.0759	4.8924	6.1817	1.0989	2.6329	4.0098	1.7801	6.8753	6.6134	6.3689	1.7819		3.0186	2.4390	4.5378	4.1747
H13	2.0723	2.5987	3.9185	2.6209	1.0995	2.1458	3.6028	4.5012	4.1747	4.5378	2.4390	3.0186		1.7751	2.4883	3.0566
H14	2.0723	2.5987	3.9185	2.6209	1.0995	2.1458	3.6028	4.5012	4.5378	4.1747	3.0186	2.4390	1.7751		3.0566	2.4883
H15	2.5987	2.0723	2.6209	3.9185	2.1458	1.0995	4.5012	3.6028	2.4390	3.0186	4.1747	4.5378	2.4883	3.0566		1.7751
H16	2.5987	2.0723	2.6209	3.9185	2.1458	1.0995	4.5012	3.6028	3.0186	2.4390	4.5378	4.1747	3.0566	2.4883	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.437	O1	C4	H11	111.634
O1	C4	H12	111.634	O1	C5	C6	107.740
O1	C5	H13	111.171	O1	C5	H14	111.171
O2	C3	H8	107.437	O2	C3	H9	111.634
O2	C3	H10	111.634	O2	C6	C5	107.740
O2	C6	H15	111.171	O2	C6	H16	111.171
C3	O2	C6	112.565	C4	O1	C5	112.565
C5	C6	H15	109.546	C5	C6	H16	109.546
C6	C5	H13	109.546	C6	C5	H14	109.546
H7	C4	H11	108.861	H7	C4	H12	108.861
H8	C3	H9	108.861	H8	C3	H10	108.861
H9	C3	H10	108.347	H11	C4	H12	108.347
H13	C5	H14	107.658	H15	C6	H16	107.658

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

using model chemistry: mPW1PW91/6-311G**

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	-0.369
2	O	-0.369
3	C	-0.135
4	C	-0.135
5	C	-0.041
6	C	-0.041
7	H	0.125
8	H	0.125
9	H	0.100
10	H	0.100
11	H	0.100
12	H	0.100
13	H	0.110
14	H	0.110
15	H	0.110
16	H	0.110

	x	y	z
x	7.273	-0.241	0.000
y	-0.241	10.210	0.000
z	0.000	0.000	7.104

<r²>	267.516
(<r²>)^1/2	16.356

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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