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	hartrees
Energy at 0K	-308.782359
Energy at 298.15K
HF Energy	-308.782359
Nuclear repulsion energy	253.064339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3167	3016	0.00
2	A_g	3008	2865	0.00
3	A_g	2999	2857	0.00
4	A_g	1532	1459	0.00
5	A_g	1507	1435	0.00
6	A_g	1501	1430	0.00
7	A_g	1469	1399	0.00
8	A_g	1260	1200	0.00
9	A_g	1206	1149	0.00
10	A_g	1102	1049	0.00
11	A_g	1047	998	0.00
12	A_g	406	386	0.00
13	A_g	345	329	0.00
14	A_u	3064	2919	10.41
15	A_u	3057	2912	221.15
16	A_u	1500	1429	17.87
17	A_u	1258	1198	14.42
18	A_u	1184	1128	4.16
19	A_u	841	801	0.51
20	A_u	230	219	13.32
21	A_u	81	77	0.01
22	A_u	15i	14i	9.93
23	B_g	3059	2914	0.00
24	B_g	3038	2894	0.00
25	B_g	1500	1429	0.00
26	B_g	1315	1253	0.00
27	B_g	1198	1141	0.00
28	B_g	1158	1103	0.00
29	B_g	206	196	0.00
30	B_g	123	118	0.00
31	B_u	3166	3016	58.54
32	B_u	3010	2867	146.38
33	B_u	2999	2857	102.24
34	B_u	1534	1462	4.97
35	B_u	1504	1433	23.54
36	B_u	1493	1423	3.46
37	B_u	1382	1317	25.60
38	B_u	1249	1189	240.04
39	B_u	1198	1142	162.39
40	B_u	996	949	71.66
41	B_u	520	495	3.63
42	B_u	156	149	4.45

Atom	x (Å)	y (Å)	z (Å)
O1	0.430	1.745	0.000
O2	-0.430	-1.745	0.000
C3	0.267	-2.970	0.000
C4	-0.267	2.970	0.000
C5	-0.430	0.626	0.000
C6	0.430	-0.626	0.000
H7	0.477	3.768	0.000
H8	-0.477	-3.768	0.000
H9	0.900	-3.066	0.894
H10	0.900	-3.066	-0.894
H11	-0.900	3.066	0.894
H12	-0.900	3.066	-0.894
H13	-1.077	0.635	0.890
H14	-1.077	0.635	-0.890
H15	1.077	-0.635	0.890
H16	1.077	-0.635	-0.890

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		3.5943	4.7179	1.4092	1.4110	2.3710	2.0238	5.5874	4.9158	4.9158	2.0768	2.0768	2.0726	2.0726	2.6217	2.6217
O2	3.5943		1.4092	4.7179	2.3710	1.4110	5.5874	2.0238	2.0768	2.0768	4.9158	4.9158	2.6217	2.6217	2.0726	2.0726
C3	4.7179	1.4092		5.9641	3.6629	2.3497	6.7417	1.0913	1.0997	1.0997	6.2124	6.2124	3.9486	3.9486	2.6274	2.6274
C4	1.4092	4.7179	5.9641		2.3497	3.6629	1.0913	6.7417	6.2124	6.2124	1.0997	1.0997	2.6274	2.6274	3.9486	3.9486
C5	1.4110	2.3710	3.6629	2.3497		1.5186	3.2706	4.3946	4.0247	4.0247	2.6407	2.6407	1.1006	1.1006	2.1567	2.1567
C6	2.3710	1.4110	2.3497	3.6629	1.5186		4.3946	3.2706	2.6407	2.6407	4.0247	4.0247	2.1567	2.1567	1.1006	1.1006
H7	2.0238	5.5874	6.7417	1.0913	3.2706	4.3946		7.5968	6.9054	6.9054	1.7861	1.7861	3.6095	3.6095	4.5318	4.5318
H8	5.5874	2.0238	1.0913	6.7417	4.3946	3.2706	7.5968		1.7861	1.7861	6.9054	6.9054	4.5318	4.5318	3.6095	3.6095
H9	4.9158	2.0768	1.0997	6.2124	4.0247	2.6407	6.9054	1.7861		1.7875	6.3908	6.6361	4.1957	4.5591	2.4378	3.0207
H10	4.9158	2.0768	1.0997	6.2124	4.0247	2.6407	6.9054	1.7861	1.7875		6.6361	6.3908	4.5591	4.1957	3.0207	2.4378
H11	2.0768	4.9158	6.2124	1.0997	2.6407	4.0247	1.7861	6.9054	6.3908	6.6361		1.7875	2.4378	3.0207	4.1957	4.5591
H12	2.0768	4.9158	6.2124	1.0997	2.6407	4.0247	1.7861	6.9054	6.6361	6.3908	1.7875		3.0207	2.4378	4.5591	4.1957
H13	2.0726	2.6217	3.9486	2.6274	1.1006	2.1567	3.6095	4.5318	4.1957	4.5591	2.4378	3.0207		1.7801	2.5001	3.0691
H14	2.0726	2.6217	3.9486	2.6274	1.1006	2.1567	3.6095	4.5318	4.5591	4.1957	3.0207	2.4378	1.7801		3.0691	2.5001
H15	2.6217	2.0726	2.6274	3.9486	2.1567	1.1006	4.5318	3.6095	2.4378	3.0207	4.1957	4.5591	2.5001	3.0691		1.7801
H16	2.6217	2.0726	2.6274	3.9486	2.1567	1.1006	4.5318	3.6095	3.0207	2.4378	4.5591	4.1957	3.0691	2.5001	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H7	107.388	O1	C4	H11	111.133
O1	C4	H12	111.133	O1	C5	C6	108.005
O1	C5	H13	110.616	O1	C5	H14	110.616
O2	C3	H8	107.388	O2	C3	H9	111.133
O2	C3	H10	111.133	O2	C6	C5	108.005
O2	C6	H15	110.616	O2	C6	H16	110.616
C3	O2	C6	112.851	C4	O1	C5	112.851
C5	C6	H15	109.833	C5	C6	H16	109.833
C6	C5	H13	109.833	C6	C5	H14	109.833
H7	C4	H11	109.215	H7	C4	H12	109.215
H8	C3	H9	109.215	H8	C3	H10	109.215
H9	C3	H10	108.718	H11	C4	H12	108.718
H13	C5	H14	107.941	H15	C6	H16	107.941

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.357
2	O	-0.357
3	C	-0.209
4	C	-0.209
5	C	-0.139
6	C	-0.139
7	H	0.157
8	H	0.157
9	H	0.133
10	H	0.133
11	H	0.133
12	H	0.133
13	H	0.141
14	H	0.141
15	H	0.141
16	H	0.141

	x	y	z
x	7.763	-0.151	0.000
y	-0.151	10.209	0.000
z	0.000	0.000	7.523

<r²>	269.152
(<r²>)^1/2	16.406

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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