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	hartrees
Energy at 0K	-308.785239
Energy at 298.15K	-308.796714
HF Energy	-308.785239
Nuclear repulsion energy	251.764737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3059	3019	0.00
2	A_g	2914	2876	0.00
3	A_g	2901	2864	0.00
4	A_g	1491	1472	0.00
5	A_g	1471	1452	0.00
6	A_g	1449	1430	0.00
7	A_g	1405	1387	0.00
8	A_g	1208	1192	0.00
9	A_g	1115	1101	0.00
10	A_g	1051	1037	0.00
11	A_g	982	969	0.00
12	A_g	386	381	0.00
13	A_g	327	322	0.00
14	A_u	2956	2918	0.15
15	A_u	2951	2913	253.54
16	A_u	1456	1437	12.88
17	A_u	1209	1193	11.31
18	A_u	1151	1136	3.47
19	A_u	818	808	0.19
20	A_u	232	229	6.75
21	A_u	88	87	7.18
22	A_u	61	60	2.70
23	B_g	2953	2915	0.00
24	B_g	2926	2888	0.00
25	B_g	1456	1438	0.00
26	B_g	1269	1253	0.00
27	B_g	1164	1149	0.00
28	B_g	1124	1109	0.00
29	B_g	219	217	0.00
30	B_g	117	116	0.00
31	B_u	3059	3019	65.02
32	B_u	2915	2878	184.72
33	B_u	2904	2866	89.42
34	B_u	1499	1480	3.15
35	B_u	1472	1453	18.38
36	B_u	1445	1426	2.08
37	B_u	1335	1318	22.14
38	B_u	1186	1171	54.23
39	B_u	1116	1101	348.32
40	B_u	928	916	61.93
41	B_u	498	492	3.11
42	B_u	145	143	3.38

Atom	x (Å)	y (Å)	z (Å)
O1	0.432	1.750	0.000
O2	-0.432	-1.750	0.000
C3	0.277	-2.976	0.000
C4	-0.277	2.976	0.000
C5	-0.432	0.626	0.000
C6	0.432	-0.626	0.000
H7	0.465	3.778	0.000
H8	-0.465	-3.778	0.000
H9	0.913	-3.073	0.894
H10	0.913	-3.073	-0.894
H11	-0.913	3.073	0.894
H12	-0.913	3.073	-0.894
H13	-1.082	0.633	0.890
H14	-1.082	0.633	-0.890
H15	1.082	-0.633	0.890
H16	1.082	-0.633	-0.890

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.6059	4.7292	1.4160	1.4181	2.3766	2.0281	5.6010	4.9286	4.9286	2.0875	2.0875	2.0822	2.0822	2.6261	2.6261
O2	3.6059		1.4160	4.7292	2.3766	1.4181	5.6010	2.0281	2.0875	2.0875	4.9286	4.9286	2.6261	2.6261	2.0822	2.0822
C3	4.7292	1.4160		5.9781	3.6715	2.3551	6.7571	1.0926	1.1019	1.1019	6.2292	6.2292	3.9582	3.9582	2.6330	2.6330
C4	1.4160	4.7292	5.9781		2.3551	3.6715	1.0926	6.7571	6.2292	6.2292	1.1019	1.1019	2.6330	2.6330	3.9582	3.9582
C5	1.4181	2.3766	3.6715	2.3551		1.5218	3.2773	4.4046	4.0362	4.0362	2.6487	2.6487	1.1026	1.1026	2.1617	2.1617
C6	2.3766	1.4181	2.3551	3.6715	1.5218		4.4046	3.2773	2.6487	2.6487	4.0362	4.0362	2.1617	2.1617	1.1026	1.1026
H7	2.0281	5.6010	6.7571	1.0926	3.2773	4.4046		7.6136	6.9234	6.9234	1.7883	1.7883	3.6167	3.6167	4.5424	4.5424
H8	5.6010	2.0281	1.0926	6.7571	4.4046	3.2773	7.6136		1.7883	1.7883	6.9234	6.9234	4.5424	4.5424	3.6167	3.6167
H9	4.9286	2.0875	1.1019	6.2292	4.0362	2.6487	6.9234	1.7883		1.7884	6.4108	6.6555	4.2089	4.5716	2.4453	3.0273
H10	4.9286	2.0875	1.1019	6.2292	4.0362	2.6487	6.9234	1.7883	1.7884		6.6555	6.4108	4.5716	4.2089	3.0273	2.4453
H11	2.0875	4.9286	6.2292	1.1019	2.6487	4.0362	1.7883	6.9234	6.4108	6.6555		1.7884	2.4453	3.0273	4.2089	4.5716
H12	2.0875	4.9286	6.2292	1.1019	2.6487	4.0362	1.7883	6.9234	6.6555	6.4108	1.7884		3.0273	2.4453	4.5716	4.2089
H13	2.0822	2.6261	3.9582	2.6330	1.1026	2.1617	3.6167	4.5424	4.2089	4.5716	2.4453	3.0273		1.7809	2.5080	3.0760
H14	2.0822	2.6261	3.9582	2.6330	1.1026	2.1617	3.6167	4.5424	4.5716	4.2089	3.0273	2.4453	1.7809		3.0760	2.5080
H15	2.6261	2.0822	2.6330	3.9582	2.1617	1.1026	4.5424	3.6167	2.4453	3.0273	4.2089	4.5716	2.5080	3.0760		1.7809
H16	2.6261	2.0822	2.6330	3.9582	2.1617	1.1026	4.5424	3.6167	3.0273	2.4453	4.5716	4.2089	3.0760	2.5080	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.542	O1	C4	H11	111.318
O1	C4	H12	111.318	O1	C5	C6	108.372
O1	C5	H13	110.571	O1	C5	H14	110.571
O2	C3	H8	107.542	O2	C3	H9	111.318
O2	C3	H10	111.318	O2	C6	C5	108.372
O2	C6	H15	110.571	O2	C6	H16	110.571
C3	O2	C6	112.833	C4	O1	C5	112.833
C5	C6	H15	109.867	C5	C6	H16	109.867
C6	C5	H13	109.867	C6	C5	H14	109.867
H7	C4	H11	109.101	H7	C4	H12	109.101
H8	C3	H9	109.101	H8	C3	H10	109.101
H9	C3	H10	108.416	H11	C4	H12	108.416
H13	C5	H14	107.592	H15	C6	H16	107.592

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.596
2	O	-0.596
3	C	-0.030
4	C	-0.030
5	C	0.110
6	C	0.110
7	H	0.105
8	H	0.105
9	H	0.099
10	H	0.099
11	H	0.099
12	H	0.099
13	H	0.106
14	H	0.106
15	H	0.106
16	H	0.106

	x	y	z
x	8.712	-0.357	0.000
y	-0.357	12.255	0.000
z	0.000	0.000	8.301

<r²>	272.142
(<r²>)^1/2	16.497

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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